smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCNC(=O)[C@H](C)N(CC)C[C@@H](C)CC	160522606	GASZUZHTCHFXIF-RYUDHWBXSA-N	228.380	2.269	70	20	BEID	
CCCS(=O)(=O)N1CC=C(C(C)(C)C)CC1	160772355	QODYJVFUQMVANV-UHFFFAOYSA-N	245.388	2.404	70	20	BEID	
CC(C)n1ccnc1CN1CCOC(C)(C)C1	160784101	QMHFOHSASULQCV-UHFFFAOYSA-N	237.347	2.075	70	20	BEID	
CC(C)c1ccc(C(=O)NCC(F)(F)F)cn1	160802976	HXCSKWPYZJPRNF-UHFFFAOYSA-N	246.232	2.497	70	20	BEID	
CC(C)c1noc(N[C@H](CO)CC(C)(C)C)n1	161463796	SFGLQNFBSNJURJ-VIFPVBQESA-N	241.335	2.402	70	20	BEID	
CC[C@H](CCO)CN[C@H](C)c1cscn1	161221546	YEMOIERIDUNENU-NXEZZACHSA-N	228.361	2.202	70	20	BEID	
Cc1cc(F)ccc1C(=O)NCCCF	159410758	NVBBLBRZUBNJPX-UHFFFAOYSA-N	213.227	2.224	70	20	BEID	
CCC(C)(CC)C(=O)NCCOC(C)C	159481140	CORVTYAKGIKRJP-UHFFFAOYSA-N	215.337	2.354	70	20	BEID	
COc1cccc([C@H](C)N(C)C[C@H](C)O)c1	159510052	BADPSGZHPLRHBC-QWRGUYRKSA-N	223.316	2.069	70	20	BEID	
COc1cc(NCc2cncn2C)ccc1F	159934676	FUWNSLZYMLXIJB-UHFFFAOYSA-N	235.262	2.180	70	20	BEID	
CCc1nc(CS[C@H](C)CO)cs1	160780672	SVLAYJMCFABLNB-SSDOTTSWSA-N	217.359	2.320	70	20	BEID	
CCCN(CC1CC1)c1ccnc(C)n1	160891065	ULNWOFVGQRRMKC-UHFFFAOYSA-N	205.305	2.411	70	20	BEID	
CSc1cc(C(=O)NC2CC=CC2)ccn1	160984464	QGSHNOASPHKNHX-UHFFFAOYSA-N	234.324	2.252	70	20	BEID	
CC(C)(C)C1CCC(CNCCO)CC1	161140384	PXYXBHZLTOCZGO-UHFFFAOYSA-N	213.365	2.421	70	20	BEID	
C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cscn1	161154897	WQWOEWQMCUONAP-QXEWZRGKSA-N	226.345	2.361	70	20	BEID	
O=S(=O)(Cl)CC#Cc1cccc(Cl)c1	521400814	QJVSTMVAKQLYHR-UHFFFAOYSA-N	249.118	2.260	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(C(N)=O)c1	159773231	BPSAPRZOIDISKA-RISCZKNCSA-N	246.310	2.160	70	20	BEID	
CCC[C@@H](C(=O)N[C@@H](C)COC)C(C)C	160953659	XJALHGPEXQLROK-WDEREUQCSA-N	215.337	2.210	70	20	BEID	
C[C@H]1C[C@H](C)N(C(=O)c2ccncc2F)C1	161432515	MLJREEMQFMOMFK-IUCAKERBSA-N	222.263	2.091	70	20	BEID	
Cc1ccc(NC(=O)NC[C@H]2CCCCO2)cn1	161489278	GHUMFTCOZOHBNF-GFCCVEGCSA-N	249.314	2.081	70	20	BEID	
CC(C)(C)OCCCCS(=O)(=O)Cl	114257917	KKNCRTDOKLROPS-UHFFFAOYSA-N	228.741	2.150	70	20	BEID	
C[C@H](Cn1cccn1)NCCc1ccc(F)cc1	159550403	OAGHGEIZKJWUAN-GFCCVEGCSA-N	247.317	2.243	70	20	BEID	
Cc1csc(-c2cccc(OCCO)c2)n1	160000035	NKSDCICSTZRJDI-UHFFFAOYSA-N	235.308	2.490	70	20	BEID	
Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(C)n1	160276342	NFZJSPRKMZCTPC-CHWSQXEVSA-N	247.342	2.463	70	20	BEID	
C[C@@H]1CCC[C@H]1NC(=O)NC1(C)CCC1	160857145	QHDMDFWAFOISEF-NXEZZACHSA-N	210.321	2.417	70	20	BEID	
CC(C)(C)C1=CCN(C(=O)c2cn[nH]c2)CC1	160956729	JPJPKVOCQKSIPN-UHFFFAOYSA-N	233.315	2.228	70	20	BEID	
O=C(NC1CC=CC1)[C@H]1CCOc2ccccc21	161019427	RZHDPSFDOPGHHW-ZDUSSCGKSA-N	243.306	2.388	70	20	BEID	
CN(CC[C@H]1CCCN1C)Cc1ccco1	161292242	YAVBXJOWCZIJRT-GFCCVEGCSA-N	222.332	2.196	70	20	BEID	
C[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](C)N	218296412	ABVMWXJPTFRJHL-ZJUUUORDSA-N	226.751	2.208	70	20	BEID	
CCC(CC)(CC)CNC(=O)N(C)CCOC	159468623	OCUVYXUYXLBFTJ-UHFFFAOYSA-N	244.379	2.491	70	20	BEID	
CC[C@H](CC(=O)NCCCN)c1ccccc1	160149380	LXWVRNWYGAFUSV-GFCCVEGCSA-N	234.343	2.035	70	20	BEID	
CCc1nsc(N[C@H]2CCOC(C)(C)C2)n1	160677004	VLKKSAUEPSXFPZ-QMMMGPOBSA-N	241.360	2.470	70	20	BEID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccnn1C	160812021	KFQOSNPVPBCYHD-NWDGAFQWSA-N	249.358	2.461	70	20	BEID	
Cn1cnnc1CSc1ccc(F)cc1	160924766	OYZIBIDTKAJAIS-UHFFFAOYSA-N	223.276	2.247	70	20	BEID	
CC(C)(C)c1ccc(=O)n(Cc2nccs2)n1	161314160	SCPVCLONYCXDTI-UHFFFAOYSA-N	249.339	2.046	70	20	BEID	
C[C@@]1(C(=O)N2CCCCC2)C[C@@H]1Br	140724208	REFSAERIVPOQOF-WCBMZHEXSA-N	246.148	2.172	70	20	BEID	
CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CC	159808828	HRCDNURPHYUWRK-OUAUKWLOSA-N	213.321	2.106	70	20	BEID	
C[C@@H](C[C@@H]1CCCO1)NC(=O)NC1(C)CCC1	160526321	BXUQIYZPJDRCJU-QWRGUYRKSA-N	240.347	2.186	70	20	BEID	
CC(C)N(C(=O)CC1CCNCC1)C1CCC1	160561277	OALPZHOHITVNHX-UHFFFAOYSA-N	238.375	2.166	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1cccn1C	160917521	BQPDGGLUPVGXNB-TZMCWYRMSA-N	234.343	2.420	70	20	BEID	
Cn1cnnc1CSCCOc1ccccc1	160934509	XWVMKCDOKOIHDL-UHFFFAOYSA-N	249.339	2.127	70	20	BEID	
COC(CN1CC[C@H](Cc2ccccc2)C1)OC	161233016	FSMXJDYYJDBBEQ-CQSZACIVSA-N	249.354	2.170	70	20	BEID	
CC[C@@H](C(=O)Nc1ccc(C)cc1)C(=O)OC	216849971	IUYHBGWLOUDYFD-NSHDSACASA-N	235.283	2.133	70	20	BEID	
CCCCN(CCCC)C(=O)N[C@@H]1CCOC1	159471917	QBICNVZEIVTSCS-GFCCVEGCSA-N	242.363	2.387	70	20	BEID	
CCOCCC1(C(=O)NCC(C)C)CCC1	160595808	ZQRKUKIYHFFSLY-UHFFFAOYSA-N	227.348	2.356	70	20	BEID	
Nc1nc(Cl)cc(Oc2ccc(F)nc2)n1	161238184	ZDYDSVGFYCISGP-UHFFFAOYSA-N	240.625	2.039	70	20	BEID	
C[C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)Cl	259293648	MYAQMYJAAAAGNB-LURJTMIESA-N	248.687	2.045	70	20	BEID	
CC(C)(C)[C@H]1CCN(C(=O)c2ncccc2O)C1	160191669	LQQRRFZRDWGNDR-JTQLQIEISA-N	248.326	2.295	70	20	BEID	
CS[C@H](C)CNC(=O)c1cc(F)ccc1O	159529766	UJHDJRGHNKOBNI-SSDOTTSWSA-N	243.303	2.013	70	20	BEID	
Cc1nnc2c(N[C@H](C)C3CCC3)nccn12	159995957	TZNUZYWEUXOERQ-MRVPVSSYSA-N	231.303	2.033	70	20	BEID	
CC(C)C[C@@H](C)OCCCS(=O)(=O)Cl	112155248	PQMICUZDODNYAZ-SECBINFHSA-N	242.768	2.396	70	20	BEID	
CCNC(=S)NCC(C)(C)C(C)C	218745378	YTFVAAXGCSAGTM-UHFFFAOYSA-N	202.367	2.153	70	20	BEID	
COC[C@H](N[C@H](CCO)c1ccccc1)C1CC1	161107215	KGNOUSHUCSQJIG-CABCVRRESA-N	249.354	2.125	70	20	BEID	
Cc1noc(C)c1Cn1cnc2c1CCCC2	160727618	ISFXWFFYMLHZNT-UHFFFAOYSA-N	231.299	2.415	70	20	BEID	
CC[C@]1(C)CCCN(C(=O)[C@H](N)C(C)C)C1	160777910	YRNNIEXZGDUWFK-DGCLKSJQSA-N	226.364	2.008	70	20	BEID	
COc1cc(C)nc(CS[C@H](C)CO)c1	160997758	CVHSMOCNQRVZMA-SECBINFHSA-N	227.329	2.013	70	20	BEID	
CCCCNC(=O)[C@H](C)Sc1ccncc1	159961756	VFDSHKIJPOINDJ-JTQLQIEISA-N	238.356	2.479	70	20	BEID	
CCCc1ccc(C(=O)N2CC[C@H](NC)C2)cc1	160736399	LHFZVIUMJDJURV-AWEZNQCLSA-N	246.354	2.073	70	20	BEID	
CCC(C)(CC)C(=O)N[C@H](CO)CC(C)C	159433757	LMSMVQBIAWZPIV-NSHDSACASA-N	229.364	2.336	70	20	BEID	
CC(C)N1CC[C@H](Sc2ccncc2)C1=O	159915119	YLZTWFZVRBMBHW-NSHDSACASA-N	236.340	2.183	70	20	BEID	
CC1=C(C(=O)NOCc2ccccc2)CCCO1	160257405	BUFAAQZZBPSRCZ-UHFFFAOYSA-N	247.294	2.319	70	20	BEID	
C[C@H]1CCCC[C@@H]1OCC(=O)NC1CC=CC1	160970245	XNSLKXLCXDNUAI-AAEUAGOBSA-N	237.343	2.417	70	20	BEID	
CCC(CC)CC(=O)N[C@@H]1CCC[C@@H](N)C1	161448760	IURRWQHZRVLHMT-VXGBXAGGSA-N	226.364	2.199	70	20	BEID	
C[C@@H](CO)N(C)C(=O)C[C@H]1CCC[C@@H](C)C1	160366761	TUJGWMXIRMJREP-WOPDTQHZSA-N	227.348	2.042	70	20	BEID	
CC(C)[C@H](C)N[C@@H]1CCN2CCCC[C@@H]12	217674539	VVKIWVAPNZKHNN-XQQFMLRXSA-N	210.365	2.247	70	20	BEID	
C[C@H](O)CN(C)[C@@H](C)c1cccc(F)c1	159365857	MYBSREXHRILFPA-UWVGGRQHSA-N	211.280	2.199	70	20	BEID	
Cc1cnc(C)c(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160411582	AGXWSALSPSKTNH-QWHCGFSZSA-N	247.342	2.463	70	20	BEID	
CCCC[C@@H](CC)CC(=O)N(C)[C@H](C)CO	160479425	IFEKUNXPVYAVIF-VXGBXAGGSA-N	229.364	2.432	70	20	BEID	
COC[C@H](C)NC(=O)c1cc(C)c(F)c(C)c1	160956346	SETJHNMRKLDTBE-JTQLQIEISA-N	239.290	2.207	70	20	BEID	
C[C@@H](c1ccccc1)N1CCC[C@@H](N)C1	217501348	XMRFBZGJZDPMJZ-WCQYABFASA-N	204.317	2.171	70	20	BEID	
O=S(=O)(Cl)CC(F)(C1CC1)C1CC1	1537958927	OMQOYSARHHENQL-UHFFFAOYSA-N	226.700	2.083	70	20	BEID	
CCCS(=O)(=O)NCCCC1CCCC1	218058888	OCEWKCCDMWCKEC-UHFFFAOYSA-N	233.377	2.286	70	20	BEID	
CC[C@H]([C@H]1CC1(C)C)S(=O)(=O)Cl	306578357	MGFYGWLAHAHRSJ-RNFRBKRXSA-N	210.726	2.380	70	20	BEID	
C[C@H](CC(=O)N(C)[C@H](C)CO)C1CCCCC1	160416107	IOHMSPMTNSYIGW-VXGBXAGGSA-N	241.375	2.432	70	20	BEID	
CN(C/C=C\c1ccccc1)CC1CC(O)C1	217396550	VOKITHIYTCGYRY-YVMONPNESA-N	231.339	2.403	70	20	BEID	
CCc1ccc(CN(C)C(=O)C(F)F)cc1	217594793	UIIVAXMGPGJQKI-UHFFFAOYSA-N	227.254	2.473	70	20	BEID	
CCc1ccc(CN[C@H]2CCC[C@@H]2O)s1	217823504	IIFASPMNIJOFLD-RYUDHWBXSA-N	225.357	2.314	70	20	BEID	
Cc1nsc(Cl)c1S(=O)(=O)Cl	100547162	PHYZPDAYAKGRKB-UHFFFAOYSA-N	232.113	2.032	70	20	BEID	
CCN(C)C(=O)Nc1ccn(CCC(C)C)n1	161298385	LMBUELONNBFVSC-UHFFFAOYSA-N	238.335	2.413	70	20	BEID	
CN(C(=O)C1=CCCC1)c1ccc2c(c1)OCO2	160645223	CKCHSFPBSHCCSW-UHFFFAOYSA-N	245.278	2.488	70	20	BEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)C1CCC1	159383862	WEWIUWRILMKARE-LBPRGKRZSA-N	237.343	2.395	70	20	BEID	
CC(C)Sc1nnc(-c2ccccn2)n1C	159497649	MAKBARIMHUWJQP-UHFFFAOYSA-N	234.328	2.378	70	20	BEID	
O=C(N1CC=C(C(F)(F)F)CC1)N1CCCC1	160242670	ATIQKVRLCMQSDY-UHFFFAOYSA-N	248.248	2.397	70	20	BEID	
CC1=CCN(C(=O)c2cccc(C)c2O)CC1	160228781	HMOHTWVIPDZXNV-UHFFFAOYSA-N	231.295	2.493	70	20	BEID	
CS[C@@H](C)CNC(=O)OCC(F)(F)F	159491323	ZFBSIKWADGZBDM-YFKPBYRVSA-N	231.239	2.026	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cccnc1	159523570	KQBHOIYPTFCZAJ-ZYHUDNBSSA-N	218.300	2.390	70	20	BEID	
Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)ncn1	159986078	WFRRXSANFYOMJX-CMPLNLGQSA-N	247.342	2.341	70	20	BEID	
Cc1ccnc(NC(=O)NC2CCCC2)c1	217584075	FYVNPMAVTRCBTI-UHFFFAOYSA-N	219.288	2.454	70	20	BEID	
Cc1ccc(NC(=O)C(F)F)cc1F	217630101	QKBHHTOGNZDJJV-UHFFFAOYSA-N	203.163	2.338	70	20	BEID	
CS[C@@H](C)CNC(=O)N[C@@H]1C=CCCC1	160273813	JLSKGVFYFFQINR-VHSXEESVSA-N	228.361	2.146	70	20	BEID	
CCOCCCC(=O)N[C@@H]1CCC[C@@H]1CC	159769404	ALRZCZXORXIVHS-NWDGAFQWSA-N	227.348	2.498	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc[nH]1	159827226	XVIINMHMCHNVTG-ZJUUUORDSA-N	206.289	2.323	70	20	BEID	
CC(C)CC[C@@H](NC(=O)[C@@H](C)N)C(C)(C)C	160071762	XCEGSDJPJSEMHF-GHMZBOCLSA-N	228.380	2.301	70	20	BEID	
CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CCCNC1	160426635	IGGRLCHMJQAFCD-STQMWFEESA-N	238.375	2.023	70	20	BEID	
N[C@H]1CCC[C@@H](NC(=O)CCc2ccccc2)C1	161198106	BGJAMGDICSASRC-UONOGXRCSA-N	246.354	2.005	70	20	BEID	
CCCS(=O)(=O)N1CC[C@H](C)C[C@H](C)C1	159733335	PXLQPTRTEXMSLH-QWRGUYRKSA-N	233.377	2.094	70	20	BEID	
C[C@@]1(Nc2ncnc3sccc23)CCOC1	160081357	GFJBLXVILFTNBL-LLVKDONJSA-N	235.312	2.282	70	20	BEID	
CCCCCN(Cc1nncn1C)C(C)C	160772863	NYRYEMPLXDZACW-UHFFFAOYSA-N	224.352	2.216	70	20	BEID	
Cc1cccc(C(=O)NC2CCOCC2)c1F	161467495	IDHHAEVOOQHTJH-UHFFFAOYSA-N	237.274	2.043	70	20	BEID	
CC(=O)NC1CCC(N2CCC(C)CC2)CC1	161485862	TWQJACXUXPONNH-UHFFFAOYSA-N	238.375	2.166	70	20	BEID	
C[C@H](c1ccccc1)N1CCC[C@@H](N)C1	217501429	XMRFBZGJZDPMJZ-DGCLKSJQSA-N	204.317	2.171	70	20	BEID	
Cc1cccc(OCCCS(=O)(=O)Cl)c1	103977343	REZGPMCADINZKU-UHFFFAOYSA-N	248.731	2.333	70	20	BEID	
CS[C@@H](C)C(=O)NCC1(C2CC2)CC1	159973162	HFGPDFRCVHMXQM-QMMMGPOBSA-N	213.346	2.044	70	20	BEID	
Cc1cccc(NC(=O)[C@H]2CCCCO2)c1O	160023910	MRZFGWATELZMBP-LLVKDONJSA-N	235.283	2.208	70	20	BEID	
C[C@H](CO)SCCc1cccs1	160701030	NVRKWBBDGAYYFL-MRVPVSSYSA-N	202.344	2.405	70	20	BEID	
COCCC(C)(C)C(=O)Nc1cccc(F)n1	160746270	JNZZLDSAWQIWBC-UHFFFAOYSA-N	240.278	2.222	70	20	BEID	
COc1cc(CNc2ccnc(C)c2)ccn1	160916400	WWEXNZCMFHFPNE-UHFFFAOYSA-N	229.283	2.406	70	20	BEID	
C[C@@H](Cc1ccc(F)cc1)S(=O)(=O)Cl	103906889	MKXYSPSJKIBNLJ-ZETCQYMHSA-N	236.695	2.325	70	20	BEID	
CC1(C)CCC(C(=O)N2CCC[C@@H](O)C2)CC1	159817919	BZHIVVUCCXPEGL-GFCCVEGCSA-N	239.359	2.186	70	20	BEID	
COc1cc(NC(=O)COC(C)C)ccc1F	160558280	XRTRXKJGQMUVOT-UHFFFAOYSA-N	241.262	2.198	70	20	BEID	
C[C@H](NC[C@@]1(C)CCCO1)c1cscn1	161221903	NWNOOQGDQISKKF-GXSJLCMTSA-N	226.345	2.363	70	20	BEID	
C[C@H]1C[C@@H](C)N(C(=O)c2ccncc2F)C1	161432794	MLJREEMQFMOMFK-DTWKUNHWSA-N	222.263	2.091	70	20	BEID	
CCc1ncnc(N[C@@H](CC)COC)c1F	218026955	LUATYXUIZZODOE-QMMMGPOBSA-N	227.283	2.015	70	20	BEID	
CCc1nc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)n[nH]1	161232875	YNPWIRTWCNVAQD-TUAOUCFPSA-N	248.374	2.378	70	20	BEID	
C[C@H]1C[C@@H](C)N(C(=O)c2ccccc2O)C1	161307863	VZHCCDPAKBAXMI-VHSXEESVSA-N	219.284	2.263	70	20	BEID	
CCC[C@H](N)C(=O)N1CC[C@H](CC(C)C)C1	159611710	CQLICJFRIVETHI-NEPJUHHUSA-N	226.364	2.008	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC1CC1	159635172	UGZYMPRVHPFVNJ-RTXFEEFZSA-N	239.359	2.496	70	20	BEID	
Cc1cc(CN[C@H](C)c2cscn2)on1	161190196	SBGSDBLAAKSJJL-MRVPVSSYSA-N	223.301	2.290	70	20	BEID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)C(C)C	159519111	UHBIWYAMXQQOKR-VIFPVBQESA-N	237.347	2.387	70	20	BEID	
OCC[C@H]1CCCCN1[C@H]1C=CCCC1	161159154	WCEYKTYJEBEYEV-QWHCGFSZSA-N	209.333	2.332	70	20	BEID	
CN(CCc1ccc(F)cc1)CCn1ccnc1	161452655	LNUZRXFNNLZQAY-UHFFFAOYSA-N	247.317	2.197	70	20	BEID	
COCC(C)(C)c1nc(CC(C)C)no1	161506222	SNFBELMEZRAXOB-UHFFFAOYSA-N	212.293	2.192	70	20	BEID	
O=C(N[C@H]1CCCc2sccc21)c1cc[nH]n1	159900472	RCDVITUUZHMTNW-VIFPVBQESA-N	247.323	2.279	70	20	BEID	
C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccoc1	160764560	PTJUKFWMJQEYDX-ZWNOBZJWSA-N	244.294	2.157	70	20	BEID	
CCC[C@H](CC)NC(=O)[C@H]1CCn2ccnc2C1	160875034	MJVUAOOXJIUALC-RYUDHWBXSA-N	249.358	2.140	70	20	BEID	
COC(=O)c1cccc(N[C@H](C)[C@@H](C)OC)c1	161152852	PKORQIPWEONHDU-NXEZZACHSA-N	237.299	2.309	70	20	BEID	
CC(C)(C)CCC(=O)N[C@H]1CCC[C@@H](N)C1	161455069	KVSILEKEQCTIHE-MNOVXSKESA-N	226.364	2.199	70	20	BEID	
CC(C)(F)C(=O)NC[C@@]1(C)CCCS1	159911241	GGBDWPSYNXUMQR-SNVBAGLBSA-N	219.325	2.136	70	20	BEID	
COC(CN1CCC[C@H]1c1ccccc1)OC	160356461	QWTIVEKDCJGFGG-ZDUSSCGKSA-N	235.327	2.442	70	20	BEID	
CCCCOC(=O)CN1CC[C@H](C)[C@H](C)C1	160980355	NVMVCBZNTSSRHE-NWDGAFQWSA-N	227.348	2.308	70	20	BEID	
CCCC[C@H](CC)CC(=O)NCC(C)(C)N	160006185	QQDNCYOWQWRPLW-NSHDSACASA-N	228.380	2.446	70	20	BEID	
CCCCNCCCn1nc(C)cc1C	218722097	IHRQCKAWAKUWBA-UHFFFAOYSA-N	209.337	2.280	70	20	BEID	
CCC(CC)(CC)NC(=O)N[C@@H]1CCOC1	159562151	IACDFPDXKWBAKM-SNVBAGLBSA-N	228.336	2.043	70	20	BEID	
CCS(=O)(=O)N1CC=C(C(C)(C)C)CC1	160770000	CGYZXQGDIXKJSJ-UHFFFAOYSA-N	231.361	2.014	70	20	BEID	
CCc1ncnc(NC2CC=CC2)c1F	218068972	FITKFKLKPLLZPJ-UHFFFAOYSA-N	207.252	2.309	70	20	BEID	
Cc1ccc(CN2CCS[C@H](C)C2)nc1	159841942	LPBAAQBCCSHRCX-LLVKDONJSA-N	222.357	2.327	70	20	BEID	
COc1cccc(N2N=C(C(C)C)CC2=O)c1	160982308	FHZBOCMZSLIUSF-UHFFFAOYSA-N	232.283	2.444	70	20	BEID	
CCCCS[C@H](C)C(=O)NC[C@H](C)CCO	161016049	JWMGKWXSFSRXQO-GHMZBOCLSA-N	247.404	2.043	70	20	BEID	
C[C@@H]1CC(NC2CCSCC2)C[C@@H](C)O1	161066285	JCFXPXSJOPIXPA-NXEZZACHSA-N	229.389	2.428	70	20	BEID	
OCc1nc2ccccc2n1Cc1nccs1	161130817	BYIOSSRSAODXBP-UHFFFAOYSA-N	245.307	2.033	70	20	BEID	
CC(C)CC(=O)OCC(F)(F)C(F)F	217411509	ACJIAJVRPPFTTR-UHFFFAOYSA-N	216.174	2.476	70	20	BEID	
C[C@@H](CNC(=O)C(F)F)c1ccccc1	217643337	FRVWUSPXPRKYOF-QMMMGPOBSA-N	213.227	2.171	70	20	BEID	
CCCC[C@H](C(=O)OC)N1CCC[C@@H](C)C1	218201327	JNNSVYXHZSQXIO-VXGBXAGGSA-N	227.348	2.450	70	20	BEID	
CC(C)=CC(=O)N(C)c1ccc2c(c1)OCO2	160633246	OPXODVKZEYVYKL-UHFFFAOYSA-N	233.267	2.344	70	20	BEID	
c1csc(N[C@@H]2CCN3CCCC[C@@H]23)n1	217361426	ZYLXYULABQHZNI-ZJUUUORDSA-N	223.345	2.182	70	20	BEID	
Cc1cc(C(=O)N[C@@H](C)c2ccccn2)ccn1	217696247	CSTIUKIRJXZENU-NSHDSACASA-N	241.294	2.276	70	20	BEID	
C[C@@H]1CCC[C@@](F)(CS(=O)(=O)Cl)C1	1537958968	QLLPZFMVTRBZDR-SFYZADRCSA-N	228.716	2.473	70	20	BEID	
Cc1ccccc1S(=O)(=O)NC1(C)CCC1	159912123	SLWLAUGOCIQIQI-UHFFFAOYSA-N	239.340	2.216	70	20	BEID	
CC[C@H](C)N(C)CCN[C@@H](C)C1(C)CC1	160136180	PHXDHPWVIGYQRI-RYUDHWBXSA-N	212.381	2.495	70	20	BEID	
OCC[C@@H]1CCCCN1[C@H]1C=CCCC1	161159018	WCEYKTYJEBEYEV-STQMWFEESA-N	209.333	2.332	70	20	BEID	
CC(=O)NC1CCC(NCCC(C)C)CC1	161215040	IJDYDXKJYVIJKD-UHFFFAOYSA-N	226.364	2.069	70	20	BEID	
Cc1ccc(NC(=O)c2cc(C)ncn2)c(F)c1	161320611	VXLQHZNCRMFQEG-UHFFFAOYSA-N	245.257	2.485	70	20	BEID	
Nc1ccc(OS(=O)(=O)F)c2ccccc12	1887503653	NUWVJQLEBQORBB-UHFFFAOYSA-N	241.243	2.015	70	20	BEID	
CCC(CC)(CO)CNC1CCSCC1	159657273	ZZESKWOMFRXVMU-UHFFFAOYSA-N	231.405	2.270	70	20	BEID	
CCCC[C@@H](CC)CC(=O)N1CC[C@@H](NC)C1	160589361	OQLAAWSEBMRILD-CHWSQXEVSA-N	240.391	2.413	70	20	BEID	
CC[C@@H](SC)c1nc(-c2cnccn2)no1	161388082	JVPKEPKBLKAOFW-MRVPVSSYSA-N	236.300	2.341	70	20	BEID	
Cc1ccc(CS(=O)(=O)Cl)s1	156120154	WSATWMHFBHWSIQ-UHFFFAOYSA-N	210.707	2.125	70	20	BEID	
CCN(C(=O)N[C@@H]1CCOC1)C1CCCCC1	159472510	TXRRNBVMLMQUGL-LLVKDONJSA-N	240.347	2.140	70	20	BEID	
CC(C)c1ccc(NC(=O)NC2(CO)CC2)cc1	159860378	XKTZYYIUXQICOT-UHFFFAOYSA-N	248.326	2.456	70	20	BEID	
C[C@H]1C[C@@H](C)N(Cc2cccc(N)c2)C1	160518138	FGHFUURMSVFHRF-WDEREUQCSA-N	204.317	2.499	70	20	BEID	
CCOc1cccc(NC(=O)C(C)(C)C)n1	216906158	QSCOJTJUUUGDCT-UHFFFAOYSA-N	222.288	2.465	70	20	BEID	
CCCC(=O)Nc1cccc(S(=O)(=O)F)c1	274551663	XSJZOMWVFBGRMO-UHFFFAOYSA-N	245.275	2.083	70	20	BEID	
CC1CCC(OCCS(=O)(=O)Cl)CC1	112395373	XYLJLIFUFYGPQD-UHFFFAOYSA-N	240.752	2.150	70	20	BEID	
C[C@H](Cc1cccc(O)c1)NC(=O)C(F)(F)F	218685823	DJTMZMYVJCDAPQ-SSDOTTSWSA-N	247.216	2.002	70	20	BEID	
O=S(=O)(Cl)/C=C/c1ccc(F)cc1	100655001	WEYVXKRBZKSRRM-AATRIKPKSA-N	220.652	2.365	70	20	BEID	in-vitro
CCC(C)(CC)C(=O)N[C@@H](CO)CC(C)C	159433874	LMSMVQBIAWZPIV-LLVKDONJSA-N	229.364	2.336	70	20	BEID	
C[C@@H](CO)SCc1cccc(F)c1	160726278	LUQQZNMWIFYTBW-QMMMGPOBSA-N	200.278	2.440	70	20	BEID	
C[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)C1CC1	161265856	ITMMGYAIAIRWQI-GXSJLCMTSA-N	240.347	2.042	70	20	BEID	
CC1(C)C[C@@H]1C(=O)Nc1ccc(OCCO)cc1	160627335	IYPNWWYWKXXWFZ-GFCCVEGCSA-N	249.310	2.042	70	20	BEID	
O=S(=O)(Cl)c1cc(Cl)cc(Cl)n1	103604845	CJYVEIODAFIXCZ-UHFFFAOYSA-N	246.502	2.316	70	20	BEID	
CCC(C)(CC)C(=O)N1CCC[C@@H]([C@@H](C)O)C1	159436156	SXASGMIVVPWPFG-VXGBXAGGSA-N	241.375	2.432	70	20	BEID	
C[C@H](NCCC(C)(C)O)[C@H]1COc2ccccc21	160154921	QETSCAFKHHMBQT-WCQYABFASA-N	249.354	2.302	70	20	BEID	
CC(C)CCO[C@@H](C)C(=O)NC1CC=CC1	160840986	FGXNDGCKZFUTPQ-NSHDSACASA-N	225.332	2.272	70	20	BEID	
CSC[C@@H](CCO)N[C@@H](C)C1CCCC1	160380229	BAUFFKRCFNWUDY-CMPLNLGQSA-N	231.405	2.269	70	20	BEID	
O=C(C(F)F)N1CC[C@H]2CCCC[C@@H]2C1	217640688	AKUDXMSFZZBMCO-RKDXNWHRSA-N	217.259	2.290	70	20	BEID	
CCC(CC)NC(=O)N[C@@H]1CCOC(C)(C)C1	161238167	PUOSUHXSLJBGAI-LLVKDONJSA-N	242.363	2.432	70	20	BEID	
O=S(=O)(Cl)[C@H]1CCOC2(CCCC2)C1	125801926	ONRQSZDRIMKGQS-QMMMGPOBSA-N	238.736	2.047	70	20	BEID	
COCCCCN(C)OCc1ccccc1	159648641	AUFAZLBOIYAQQZ-UHFFFAOYSA-N	223.316	2.477	70	20	BEID	
CCN(CCC(=O)OC)CCC1CCCC1	159851595	GNXGOJBMKFAMTL-UHFFFAOYSA-N	227.348	2.452	70	20	BEID	
CCC[C@@H](C(=O)NC[C@H]1CCCO1)C(C)C	160641088	METDLHGOSVOPRG-VXGBXAGGSA-N	227.348	2.354	70	20	BEID	
CCCS(=O)(=O)N1CCC[C@H]2CCCC[C@H]21	159471012	YLCFJRRNTILSSC-VXGBXAGGSA-N	245.388	2.381	70	20	BEID	
Cc1ccnc(NCc2cn(C)nc2C)c1	161112236	KOHDLHSMGLJSPL-UHFFFAOYSA-N	216.288	2.044	70	20	BEID	
C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CCCNC1	161231605	MNFQUWHMFZXMGW-NEPJUHHUSA-N	240.391	2.317	70	20	BEID	
CCc1ncnc(N[C@@H](COC)C(C)C)c1F	218038762	AKLHRXKZELVMHG-JTQLQIEISA-N	241.310	2.261	70	20	BEID	
C[C@H](CCC(F)(F)F)S(=O)(=O)Cl	220462321	OTFZDJWNCITOPG-SCSAIBSYSA-N	224.631	2.286	70	20	BEID	
Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)N)cc1	159912272	OTBCGZLXTKVIKI-GXTWGEPZSA-N	246.354	2.396	70	20	BEID	
CCOCCC1(CNC(=O)C(C)C)CCC1	160053199	SZUZMLJOMOYOBK-UHFFFAOYSA-N	227.348	2.356	70	20	BEID	
CO[C@@H](C(=O)NC1CC=CC1)c1ccccc1	160941323	KUPYHIOBBIDHIT-CYBMUJFWSA-N	231.295	2.209	70	20	BEID	
CC[C@H](N)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1	161156980	JDAPHINFOUZABJ-OCCSQVGLSA-N	248.370	2.122	70	20	BEID	
O=S(=O)(Cl)C[C@@H](F)C1CCCC1	259312253	JFNBXSFVDXHZLO-SSDOTTSWSA-N	214.689	2.083	70	20	BEID	
CC(C)(O)CN[C@@H](Cc1ccccc1)C1CC1	160591725	XRHYVNUVMODRKY-AWEZNQCLSA-N	233.355	2.368	70	20	BEID	
CC1(C)CCC[C@@H](NC(=O)N[C@@H]2CCOC2)C1	160723025	ZBXSLZXPUUMSEG-GHMZBOCLSA-N	240.347	2.043	70	20	BEID	
CC(C)(C)[C@@H]1CCN(C(=O)c2cncc(O)c2)C1	160192337	PXFVMJDUSLQJJW-LLVKDONJSA-N	248.326	2.295	70	20	BEID	
C[C@@H](CC1CCCC1)C(=O)N(C)[C@@H](C)CO	160450906	VAGPZLIOXFYNKV-QWRGUYRKSA-N	227.348	2.042	70	20	BEID	
Cc1ccccc1[C@@H](C)CC(=O)N(C)[C@H](C)CO	160451648	SINMUQCRCGZMQB-QWHCGFSZSA-N	249.354	2.328	70	20	BEID	
Cn1ccnc1CN1CC[C@@H]2CCCC[C@@H]21	160889166	QNHFAIKOXMFUHZ-RYUDHWBXSA-N	219.332	2.185	70	20	BEID	
CCC[C@H](C(=O)N[C@H](C)COC)C(C)C	160953770	XJALHGPEXQLROK-MNOVXSKESA-N	215.337	2.210	70	20	BEID	
CCC[C@@H]1CCCN(C(=O)C[C@H]2CCCN2)C1	161448470	VMJUVFKUDRQMDC-CHWSQXEVSA-N	238.375	2.167	70	20	BEID	
CSC(C)(C)CNc1ncc(C)cn1	160433975	DWAMKKNVDBZUQE-UHFFFAOYSA-N	211.334	2.339	70	20	BEID	
Cc1cccc(CN(C)C(=O)NC(C)(C)C)n1	160699825	OLYLOCWLKUXBAM-UHFFFAOYSA-N	235.331	2.330	70	20	BEID	
O=S(=O)(Cl)c1cc(F)cc2ccncc12	536951053	NOTYBFBPXHIPPS-UHFFFAOYSA-N	245.662	2.301	70	20	BEID	
CCCC1(CNC(=O)NCCOCC)CCC1	159965604	OKRTUKYECQSZCH-UHFFFAOYSA-N	242.363	2.293	70	20	BEID	
CCCN1CCCN(C(=O)CC(C)(C)C)CC1	160364723	IBMGTJRAKNBYBK-UHFFFAOYSA-N	240.391	2.367	70	20	BEID	
CON(C)C(=O)[C@H](C)CSc1ccccc1	216813033	ACWIYTSYYNSPCD-SNVBAGLBSA-N	239.340	2.435	70	20	BEID	
O=C(N[C@H]1CCc2ccccc21)[C@H]1CCCCO1	160340988	IJQWHSYLYPBYOD-UONOGXRCSA-N	245.322	2.359	70	20	BEID	
CCc1ccc(/C=C/C(=O)NCC2(C)COC2)o1	159988306	LKUDVSCFQGNCCT-VOTSOKGWSA-N	249.310	2.008	70	20	BEID	
Cc1cnc(C(C)(C)NCCC(C)(C)O)s1	159818401	HCXAGXLZGRAXBD-UHFFFAOYSA-N	242.388	2.437	70	20	BEID	
COCC(C)(C)C(=O)N(C)Cc1ccsc1	159744586	SIOWTDYPMPWJHQ-UHFFFAOYSA-N	241.356	2.379	70	20	BEID	
CSCCCCC(=O)N[C@H](CO)CC(C)C	160808572	MUAOBGXWUVYAIO-NSHDSACASA-N	247.404	2.043	70	20	BEID	
Cc1c(C)c(C)c(CNC(N)=O)c(C)c1C	161136959	YUWFCEABQCMETO-UHFFFAOYSA-N	220.316	2.397	70	20	BEID	
CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C)cc1C	216638739	SSWLPGXGVLWYOS-SMDDNHRTSA-N	248.370	2.293	70	20	BEID	
CCOc1ccccc1N(C)C[C@H](O)CC	159436457	ZWFBVRFDQLNUCZ-LLVKDONJSA-N	223.316	2.292	70	20	BEID	
CCC[C@H]1C[C@H]1NC(=O)Nc1cnc(CC)nc1	161148998	LJVHKUIMZWGWGY-GXSJLCMTSA-N	248.330	2.349	70	20	BEID	
COCC(C)(C)C(=O)NCC1(C2CC2)CCC1	161351378	SJVSFTIHIWCTMF-UHFFFAOYSA-N	239.359	2.356	70	20	BEID	
Cc1ccc(CNC(=O)Nc2ncccn2)cc1	217315148	IJLOKQJPAQUVFG-UHFFFAOYSA-N	242.282	2.107	70	20	BEID	
Cc1nn(C)cc1CNCCC1CCC1	160164825	HJJLHNSWECJZJY-UHFFFAOYSA-N	207.321	2.008	70	20	BEID	
COc1ccc(CN(C)C(=O)C(F)F)cc1F	218092435	SSTWZFZHZPXXBS-UHFFFAOYSA-N	247.216	2.058	70	20	BEID	
C[C@H](O)C[C@H](CNC(=O)C1CC1)c1ccccc1	159600601	BUKNOUBBEXPURH-SMDDNHRTSA-N	247.338	2.067	70	20	BEID	
CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](C)N	159755485	ODZSFYKHIRUEKN-WCQYABFASA-N	234.343	2.189	70	20	BEID	
CN(Cc1cccn1C)C(=O)CCC1CC1	160818731	PPRQNTUGNZYNKG-UHFFFAOYSA-N	220.316	2.174	70	20	BEID	
CSC[C@@H](C)NC(=O)Nc1ccc(C)nc1	161445479	QGDZVTMJVGHWAU-SECBINFHSA-N	239.344	2.263	70	20	BEID	
CCCCCN1C(=O)N[C@@H](CCCC)C1=O	159635749	AKWVHVVCCNJREN-JTQLQIEISA-N	226.320	2.287	70	20	BEID	
CC[C@@H](CC(=O)N(C)[C@@H](C)CO)c1ccccc1	160449856	RNJISYKGJXTUHP-STQMWFEESA-N	249.354	2.410	70	20	BEID	
CCc1cc(O)nc(CN2C[C@H](C)C[C@@H](C)C2)n1	160478344	FOYYILZLOSPVDQ-GHMZBOCLSA-N	249.358	2.223	70	20	BEID	
CCc1ncnc(NC2CC(C)C2)c1F	218055043	WXGNUHPEHLMKQE-UHFFFAOYSA-N	209.268	2.389	70	20	BEID	
CS[C@H](C)CNC(=O)N[C@@H]1C=CCCC1	160273953	JLSKGVFYFFQINR-NXEZZACHSA-N	228.361	2.146	70	20	BEID	
O=C(NCCCF)NCC1(C2CC2)CCC1	160732630	MDZGJGASWTUVJQ-UHFFFAOYSA-N	228.311	2.226	70	20	BEID	
CCC1=NN(c2cccc(OC)c2)C(=O)C1	160982183	SZDNOUMMHDPLSW-UHFFFAOYSA-N	218.256	2.198	70	20	BEID	
O=C(C1CC1)N1CCc2c(F)cccc2C1	161060948	KVANXCSLCDICKP-UHFFFAOYSA-N	219.259	2.120	70	20	BEID	
CCCC[C@@H](N[C@H](C)C(C)C)C(=O)OC	218057408	YQRWUJMGTKGWGQ-GHMZBOCLSA-N	215.337	2.352	70	20	BEID	
CCCOC[C@H](CS(=O)(=O)Cl)C(C)C	114434588	AEXYYUCLILIVRB-SECBINFHSA-N	242.768	2.254	70	20	BEID	
Cc1cscc1C(=O)Nc1c[nH]c(=O)c(C)c1	159576726	HTMCHACCRJMVQO-UHFFFAOYSA-N	248.307	2.306	70	20	BEID	
CCc1ncnc(N[C@H](C)CSC)c1F	159884191	XNRUFOFLPOIFGJ-SSDOTTSWSA-N	229.324	2.342	70	20	BEID	
CC(C)NC(=S)N[C@@H](C)C1CCC1	160037788	YZXKMJPYBDZXHX-QMMMGPOBSA-N	200.351	2.048	70	20	BEID	
CC(C)[C@H]1C(=O)NCCN1CCC1CCCC1	160451206	HEKZFCJOQSACHN-ZDUSSCGKSA-N	238.375	2.023	70	20	BEID	
Cc1nccc(N[C@H]2CCOC(C)(C)C2)n1	160663264	CFHDEYGIRYIGIR-JTQLQIEISA-N	221.304	2.155	70	20	BEID	
COC[C@@H](C)CN[C@H](C)c1cscn1	161168652	VHCTWBWKFQKPOG-DTWKUNHWSA-N	214.334	2.076	70	20	BEID	
Cc1cc(C(=O)N[C@H]2CCC[C@H](C)C2)ncn1	161480729	KEDIUODKTBGESE-ONGXEEELSA-N	233.315	2.094	70	20	BEID	
COc1ccc(N(C)C(=O)[C@H]2C[C@@H]2C)cc1F	159540683	HLUALQRAJMZKLZ-WPRPVWTQSA-N	237.274	2.453	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)NCC1(N)CCCCC1	159590330	ZRLKOKKTBVVSRS-DGCLKSJQSA-N	238.375	2.200	70	20	BEID	
c1ccc2oc(N3CCOC[C@H]3C3CC3)nc2c1	159684029	WNBSMHBAGJVALA-LBPRGKRZSA-N	244.294	2.443	70	20	BEID	
Cc1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1	160336520	XZYYBECDJNFTJW-NEPJUHHUSA-N	233.315	2.155	70	20	BEID	
CCCC[C@H](CC)CC(=O)N1CC[C@@H](NC)C1	160589463	OQLAAWSEBMRILD-QWHCGFSZSA-N	240.391	2.413	70	20	BEID	
CCCCn1ncc(C(=O)NCC2CC2)c1C	161324346	AEDRNALASVZPQZ-UHFFFAOYSA-N	235.331	2.131	70	20	BEID	
CCN(C(=O)N[C@H]1CCOC1)C1CCCCC1	159472660	TXRRNBVMLMQUGL-NSHDSACASA-N	240.347	2.140	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C)nn1C	159597928	UAKZUTSGWNDHPZ-QWRGUYRKSA-N	235.331	2.037	70	20	BEID	
CCC[C@@H](N)C(=O)N1CC[C@@H](CC(C)C)C1	159612093	CQLICJFRIVETHI-NWDGAFQWSA-N	226.364	2.008	70	20	BEID	
CC(=O)C[C@@H](C)NC(=O)c1ccc2c(c1)CCC2	159956891	WOHKXRKALMWUFI-SNVBAGLBSA-N	245.322	2.273	70	20	BEID	
C[C@H]1C[C@@H](C)CN1C(=O)c1ccccc1O	161307502	VZHCCDPAKBAXMI-ZJUUUORDSA-N	219.284	2.263	70	20	BEID	
CN1CCN(Cc2ccc3occc3c2)CC1	218007714	YKHAYRIGUNZYJF-UHFFFAOYSA-N	230.311	2.180	70	20	BEID	
N[C@@H]1CCC[C@@H](NC(=O)C2CCCCCC2)C1	161312723	SCPCYBWKRQCNKO-CHWSQXEVSA-N	238.375	2.343	70	20	BEID	
C[C@@H]1CCC[C@@H](CNc2ccc(C(N)=O)cn2)C1	217927377	SQKCJPOSXNHEED-GHMZBOCLSA-N	247.342	2.419	70	20	BEID	
O=C(C1CCCC1)N1[C@H]2C=CC[C@H]1CC2	218731760	BTSFZRLTAZWEOM-RYUDHWBXSA-N	205.301	2.496	70	20	BEID	
C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cccc(O)c1	159699806	ZSKNXRXUTHHQNK-NRUUGDAUSA-N	249.310	2.137	70	20	BEID	
C[C@@H]1CN(CCCN2CCCCC2)CCS1	161336501	CKLCOZSXJXFHTI-CYBMUJFWSA-N	242.432	2.300	70	20	BEID	
CC(C)C[C@H](N)c1nc([C@H]2C[C@H]2C)no1	161006998	OQJBGNULXCEAPZ-VGMNWLOBSA-N	209.293	2.239	70	20	BEID	
CC[C@@H](O)CCNC(=O)C(C)(CC)CC	159438153	ONOOCWWUJCLOKE-SNVBAGLBSA-N	215.337	2.090	70	20	BEID	
C[C@@H](NCCO)c1nc(-c2ccccc2)cs1	159714577	FUSPLHMKJRHMRY-SNVBAGLBSA-N	248.351	2.453	70	20	BEID	
CCC(CC)CNC(=O)NCC(O)(CC)CC	160599853	WMRWESPHDDEMKR-UHFFFAOYSA-N	244.379	2.273	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)SC	159768618	UXEYPRFHQRPJDO-UTLUCORTSA-N	215.362	2.433	70	20	BEID	
CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H](C)C2)CCO1	159877054	UPYCSCLRLAQSAV-XQQFMLRXSA-N	239.359	2.450	70	20	BEID	
Cc1ccnc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160281890	YGWYEVJNGAPNMX-NEPJUHHUSA-N	233.315	2.155	70	20	BEID	
Cc1ccnc(N[C@H]2CCN3CCC[C@@H]3C2)c1	161183059	VYTDINQWXPKYPK-QWHCGFSZSA-N	231.343	2.429	70	20	BEID	
CC[C@H](C(=O)Nc1cccc(C)c1)C(=O)OC	216850158	XZPLQCWOPKJBNG-LLVKDONJSA-N	235.283	2.133	70	20	BEID	
CCCS(=O)(=O)NCc1ccc(CC)s1	218059861	WLCIURZGEVYSDL-UHFFFAOYSA-N	247.385	2.140	70	20	BEID	
O=S(=O)(F)c1ccc2onc(Cl)c2c1	238851109	FCQHDCQPRFOBNF-UHFFFAOYSA-N	235.623	2.139	70	20	BEID	
O=S(=O)(Cl)C[C@@]1(F)C[C@H]2CC[C@H]1C2	1537958650	HYRINHHDHIVXIN-FXQIFTODSA-N	226.700	2.083	70	20	BEID	
C[C@@H](O)CN(C)C(=O)C[C@H]1CCCCC1(C)C	160091088	XOEOBQAGHJMHSK-VXGBXAGGSA-N	241.375	2.432	70	20	BEID	
COC(=O)[C@H](NC1CC=CC1)c1ccccc1	160896289	OXGFKULWAUGADF-CYBMUJFWSA-N	231.295	2.209	70	20	BEID	
CCC(CC)NC(=O)NOCc1cccnc1	160985651	QUUAPSZMPKTMPF-UHFFFAOYSA-N	237.303	2.001	70	20	BEID	
CCC(CC)NC(=O)N[C@H](CCO)C(C)(C)C	161144200	GFPRPWQVXKAWKA-LLVKDONJSA-N	244.379	2.271	70	20	BEID	
Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ncn1	161199806	GOYFKWBMUKXTAN-KOLCDFICSA-N	233.315	2.094	70	20	BEID	
CS[C@@H](C)CC(=O)N1C[C@@H](C)OC(C)(C)C1	161230383	PPHGULOWYPPHMZ-ZJUUUORDSA-N	245.388	2.154	70	20	BEID	
CCC[C@H](C)NC(=O)c1ccncc1F	161385175	RKDJLZFVZRYIBT-QMMMGPOBSA-N	210.252	2.139	70	20	BEID	
Cc1cc(C(=O)N[C@@H](C)CCC(C)C)ncn1	161409775	UYFKMUCKQIPYGX-JTQLQIEISA-N	235.331	2.340	70	20	BEID	
CC[C@H](C)N(C)CCN[C@@H](C)C1CCOCC1	160150850	DSUAJKPDKDQHQN-STQMWFEESA-N	242.407	2.121	70	20	BEID	
CCCC[C@@H](COC)NC[C@H]1CCCC[C@@H]1O	160572530	CXPTWDVDTGOEDT-RDBSUJKOSA-N	243.391	2.332	70	20	BEID	
CN(Cc1ccccc1F)Cc1ccnn1C	160729633	NYEWOXFSIQEFOG-UHFFFAOYSA-N	233.290	2.191	70	20	BEID	
CCCCNC(=O)c1c(C)nn(CCC)c1C	161174958	YFXSFGWSGHJRLU-UHFFFAOYSA-N	237.347	2.440	70	20	BEID	
CCCn1c(C)nnc1CN1[C@@H](C)CC[C@@H]1C	161224331	CSYXIUTWZVPJTA-QWRGUYRKSA-N	236.363	2.369	70	20	BEID	
O=S(=O)(Cl)c1ccc(CCl)cc1F	133899143	GICTZHCQFYKHIT-UHFFFAOYSA-N	243.086	2.492	70	20	BEID	
C[C@H](O)CN(C)[C@@H](C)c1ccc(F)cc1F	159565340	IXNAYEJFHBJHHZ-IUCAKERBSA-N	229.270	2.338	70	20	BEID	
CCc1ncnc(NCc2ccncc2)c1F	217952492	XAHKXTHNUMKOEH-UHFFFAOYSA-N	232.262	2.185	70	20	BEID	
CC[C@@H](C)OCCCCS(=O)(=O)Cl	114258222	YFBKZUKILDACHB-MRVPVSSYSA-N	228.741	2.150	70	20	BEID	
CS[C@@H](C)CC(=O)Nc1cccc(C)n1	159751194	OFMVJNTYIBDCEF-VIFPVBQESA-N	224.329	2.470	70	20	BEID	
CCCc1ccc(C(=O)NCC(C)(C)N)cc1	160080120	LTWZDDFNIZHWDH-UHFFFAOYSA-N	234.343	2.106	70	20	BEID	
O=C(CSc1ccncc1)NC1CC=CC1	161027113	UVJVNNJVARTASN-UHFFFAOYSA-N	234.324	2.009	70	20	BEID	
COc1cccc2c(S(=O)(=O)Cl)c[nH]c12	100722807	YALQIVNKLGVIIA-UHFFFAOYSA-N	245.687	2.104	70	20	BEID	
c1cnn(CCN2CC[C@@H]3CCCC[C@@H]32)c1	159703115	ICVFXYLNVKHTTE-STQMWFEESA-N	219.332	2.148	70	20	BEID	
CCCCOCC(=O)N[C@@H]1CCC[C@@H]1CC	159750198	XZKYMTQOJDKJCP-NWDGAFQWSA-N	227.348	2.498	70	20	BEID	
CNC(=O)c1nn(-c2ccccc2Cl)cc1C	160003928	WQRARINYZGQDJN-UHFFFAOYSA-N	249.701	2.194	70	20	BEID	
COCCCCN[C@H](C)c1cscn1	161156472	FTHMMEYBPYJBQC-SECBINFHSA-N	214.334	2.220	70	20	BEID	
C[C@H]1CCN(CC2(O)CCCC2)C[C@@H]1C	160979581	QCLJQZGHBHOKSH-RYUDHWBXSA-N	211.349	2.269	70	20	BEID	
CC[C@H]1CCCC[C@H]1NCCCNC(C)=O	161410012	FQEMLBQJJYINHU-QWHCGFSZSA-N	226.364	2.071	70	20	BEID	
Cc1cc(C[C@@H](C)NC(=O)CC2CCCC2)n[nH]1	161462280	OBDKMHODPLOMLF-SNVBAGLBSA-N	249.358	2.346	70	20	BEID	
CN(Cc1cccc(OC(F)(F)F)c1)C(N)=O	160292719	NBWIYCHNLQMUNZ-UHFFFAOYSA-N	248.204	2.096	70	20	BEID	
COC[C@H](C)NC[C@H](C1CCCCC1)N(C)C	160420909	XGGYMGGOFZDACE-GXTWGEPZSA-N	242.407	2.121	70	20	BEID	
CC(C)CCC(=O)N(C)Cc1cccn1C	160758564	BMNZMKNPNBMDNH-UHFFFAOYSA-N	222.332	2.420	70	20	BEID	
CC[C@H](N)CNC1C2CC3CC(C2)CC1C3	216841029	SWAOJIDSIKJKIQ-QBBLGZLKSA-N	222.376	2.138	70	20	BEID	
CS[C@H](C)CNC(=O)c1ccc2[nH]cnc2c1	159436106	HJADXISVPUMWJX-MRVPVSSYSA-N	249.339	2.044	70	20	BEID	
Cc1ccc(C)c(CN2CCC3(C2)OCCO3)c1	160715551	ZJMDQDDLLURBRR-UHFFFAOYSA-N	247.338	2.252	70	20	BEID	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@H](C)N)c1	161306761	PIGJQFOAFLSWRD-NWDGAFQWSA-N	234.343	2.170	70	20	BEID	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCN	218191167	BYBPKBHEGSDMQW-VIFPVBQESA-N	246.276	2.185	70	20	BEID	
Cc1ncccc1C(=O)N(C)Cc1cccn1C	160399558	JOVSNNWPZPVVQM-UHFFFAOYSA-N	243.310	2.001	70	20	BEID	
CC[C@@]1(C)CCCN(C(=O)CCNC(C)C)C1	160776433	CANIAAZBLNKQLI-AWEZNQCLSA-N	240.391	2.413	70	20	BEID	
CC(C)[C@H](C)NC(=O)N[C@H](CCO)C(C)(C)C	161187647	FTVCGNITLYYGJO-WDEREUQCSA-N	244.379	2.127	70	20	BEID	
CC[C@H](C(=O)Nc1ncc(Cl)s1)N(C)C	161246346	IFUHVFGEPCSCSC-ZCFIWIBFSA-N	247.751	2.075	70	20	BEID	
CCN1CCCC[C@H]1CN[C@@H](C)c1cnccn1	161179681	YKHNEDCWEBYWAH-STQMWFEESA-N	248.374	2.002	70	20	BEID	
Cc1ccnc(N2C[C@H](C)OC(C)(C)C2)c1	161437596	UTCBBBBRQGWMEG-NSHDSACASA-N	220.316	2.394	70	20	BEID	
CN(CC[C@H]1CCCN1C)Cc1cscn1	161458467	FFVWAKWGBSKQRB-GFCCVEGCSA-N	239.388	2.059	70	20	BEID	
CC[C@@H](C)C(=O)N(C)[C@H](CO)Cc1ccccc1	216912389	RETUYCNEVMHJNG-OCCSQVGLSA-N	249.354	2.095	70	20	BEID	
C[C@@H]1CCC[C@H](CNc2ccc(C(N)=O)cn2)C1	217927538	SQKCJPOSXNHEED-MNOVXSKESA-N	247.342	2.419	70	20	BEID	
O=C(Nc1cccc(OCCF)c1)c1cc[nH]n1	160414244	GXYMVFIQLZUAKU-UHFFFAOYSA-N	249.245	2.010	70	20	BEID	
COC[C@@H](C)NC[C@H](C1CCCCC1)N(C)C	160421033	XGGYMGGOFZDACE-TZMCWYRMSA-N	242.407	2.121	70	20	BEID	
CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cscn1	218237184	LTZGBLJPKMEQJC-IQJOONFLSA-N	226.345	2.361	70	20	BEID	
Cc1cc(NC(=O)c2ccccc2F)c[nH]c1=O	159688760	FXNNGTQLISIWIA-UHFFFAOYSA-N	246.241	2.075	70	20	BEID	
CN(CCCN1CCCC1)Cc1cscn1	161459723	GOJHXTRUAULCPE-UHFFFAOYSA-N	239.388	2.061	70	20	BEID	
C[C@@H](N)CN[C@H](C)Cc1ccc(Cl)cc1	218296449	ABVMWXJPTFRJHL-NXEZZACHSA-N	226.751	2.208	70	20	BEID	
CS[C@H](C)CC(=O)N(C)C[C@H]1CCCCO1	160782906	CLEOUUKHRMVRAX-GHMZBOCLSA-N	245.388	2.156	70	20	BEID	
CN(CCc1ccc(F)cc1)Cc1nccn1C	160837990	VTXMOLLOWQWEIP-UHFFFAOYSA-N	247.317	2.234	70	20	BEID	
CCc1nc(CN2CC[C@@H](C)C[C@H](C)C2)n[nH]1	159472520	VOFCUFXRBUUVOB-MNOVXSKESA-N	236.363	2.235	70	20	BEID	
CN(C)Cc1ccc(CNC(=O)C2(C)CC2)cc1	159711384	FCHDWLGSPUGLNP-UHFFFAOYSA-N	246.354	2.165	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccc[nH]1	159827360	XVIINMHMCHNVTG-UWVGGRQHSA-N	206.289	2.323	70	20	BEID	
CCC[C@@]1(C)CCCN(C(=O)[C@@H](N)CC)C1	160934500	SCKJRQVYFIWNJW-AAEUAGOBSA-N	226.364	2.153	70	20	BEID	
Cc1ccc(SCc2nncn2C)cc1	160953200	ODUUKQVNOIXZBB-UHFFFAOYSA-N	219.313	2.416	70	20	BEID	
CCc1nc(CN[C@@H](C)c2ccccc2)n[nH]1	160261643	BGWAJLIKYNBFSI-JTQLQIEISA-N	230.315	2.218	70	20	BEID	
CCCC1(CNC(=O)[C@@H](CC)OCC)CC1	160747764	LNDNBAWNCVVRII-LLVKDONJSA-N	227.348	2.498	70	20	BEID	
CCCC1(CN[C@@H](C(N)=O)c2ccccc2)CC1	160774388	CMKMYERFHVEDOT-CYBMUJFWSA-N	246.354	2.383	70	20	BEID	
C[C@@H]1CCCC[C@H]1OCC(=O)NC1CC=CC1	160970374	XNSLKXLCXDNUAI-DGCLKSJQSA-N	237.343	2.417	70	20	BEID	
C[C@@H]1C[C@@]1(N)c1ccc(OC(F)F)cc1	161003642	WMEUFUXXKZHCKI-HQJQHLMTSA-N	213.227	2.482	70	20	BEID	
CCC[C@@H](O)CNc1nnc(Cl)c(C)c1C	218142833	KFUSJFLHIBEGTC-SECBINFHSA-N	243.738	2.320	70	20	BEID	
CC[C@H](C)[C@@H](C)NCc1ccnn1CC	160131628	YZWQBVASDLGLJK-WDEREUQCSA-N	209.337	2.427	70	20	BEID	
c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1	160410415	QLPXFSRXOQBGSU-VXGBXAGGSA-N	218.300	2.451	70	20	BEID	
Cc1nc(CCNCc2nccs2)cs1	218098236	FMBBQZWMWQYXLT-UHFFFAOYSA-N	239.369	2.240	70	20	BEID	
CC[C@@H](CCO)Nc1nnc(Cl)c(C)c1C	218138528	SNXUSKNIVPNDME-VIFPVBQESA-N	243.738	2.320	70	20	BEID	
C[C@]1(C(=O)N2CCCCC2)C[C@@H]1Br	140724014	REFSAERIVPOQOF-WPRPVWTQSA-N	246.148	2.172	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)CCC1CCC1	160032231	PRFNRGGWGFXEBU-SNVBAGLBSA-N	241.331	2.025	70	20	BEID	
C[C@H]1CCN(Cc2nncn2C)c2ccccc21	160788537	HPITXRZOEKJKAW-NSHDSACASA-N	242.326	2.329	70	20	BEID	
CS[C@H](C)CNC(=O)OCC(F)(F)F	159491454	ZFBSIKWADGZBDM-RXMQYKEDSA-N	231.239	2.026	70	20	BEID	
COc1cccc(CNCCSC)c1F	160465021	KFWQNHZOBZUQPZ-UHFFFAOYSA-N	229.320	2.287	70	20	BEID	
CCC(CC)CNC(=O)N[C@H](CC)COC	160549874	NYEQWLYPSHMULE-LLVKDONJSA-N	230.352	2.147	70	20	BEID	
CC(=O)c1ccc(N2CC=C(C)CC2)nc1	161425881	VCHOINHBBXQMAZ-UHFFFAOYSA-N	216.284	2.441	70	20	BEID	
CCCC1(CNC(=O)c2cc[nH]c2)CC1	160510044	XAOZDIPGDWYKMY-UHFFFAOYSA-N	206.289	2.325	70	20	BEID	
CC(C)CNc1cccc(OS(=O)(=O)F)c1	1887452138	GDIDXJQVJGWURL-UHFFFAOYSA-N	247.291	2.348	70	20	BEID	
C[C@H]1CCN(C(=O)N2CCCC2)C[C@H]1C	160859216	MVRKWBHEGWBGBH-WDEREUQCSA-N	210.321	2.180	70	20	BEID	
CCc1ncnc(NC2CCSCC2)c1F	218000609	FYSLSKQPALCRGS-UHFFFAOYSA-N	241.335	2.486	70	20	BEID	
Cc1cc(F)ccc1C(=O)Nc1ccon1	159861150	FQYMMCPUYUABCY-UHFFFAOYSA-N	220.203	2.374	70	20	BEID	
COc1cc(C)nc(N[C@H](C)c2ccccn2)n1	161089944	XDSAZGCRUSKCTF-SNVBAGLBSA-N	244.298	2.362	70	20	BEID	
CCOCCN(CC)Cc1ccc(C)cn1	160085308	IYDCYUDNHNNOJY-UHFFFAOYSA-N	222.332	2.248	70	20	BEID	
C[C@H](O)CN(C)C(=O)C[C@H]1CCCCC1(C)C	160090960	XOEOBQAGHJMHSK-NWDGAFQWSA-N	241.375	2.432	70	20	BEID	
COC(=O)[C@H](C)N(C)Cc1ccc(C)s1	160434254	BPPLNAAHIYSWLU-VIFPVBQESA-N	227.329	2.050	70	20	BEID	
COc1ccc(SCc2nncn2C)cc1	160991647	XHIWBBVOPOQBCD-UHFFFAOYSA-N	235.312	2.116	70	20	BEID	
CCc1ncnc(NC[C@@H]2CCCCO2)c1F	217990638	KBEDKGORNMDHKJ-VIFPVBQESA-N	239.294	2.159	70	20	BEID	
CC(=O)O[C@H](c1ccccn1)C(F)(F)F	160458431	LPYADHMMDOMEDZ-MRVPVSSYSA-N	219.162	2.248	70	20	BEID	
Cc1cccc2c1N(Cc1nccn1C)CC2	160798276	KNBDGWUXIOCOLK-UHFFFAOYSA-N	227.311	2.291	70	20	BEID	
Cn1cnnc1CN1CCC[C@@H]1C1CCCCC1	160813248	CLJGOGUJSKTCQT-CYBMUJFWSA-N	248.374	2.360	70	20	BEID	
CC[C@@H](CCO)CN[C@H](C)c1cscn1	161221442	YEMOIERIDUNENU-ZJUUUORDSA-N	228.361	2.202	70	20	BEID	
Cc1cscc1C(=O)N[C@@H]1CCC[C@@H](N)C1	161270037	RUWFHRLLLLQRQQ-NXEZZACHSA-N	238.356	2.056	70	20	BEID	
Cc1nccn1CCCCN(C)C1CC1	161470485	AXHSCHOMGZKSED-UHFFFAOYSA-N	207.321	2.066	70	20	BEID	
C[C@H](O)CN(C)[C@@H](C)c1c(F)cccc1F	159395524	HOXSSPZAOCTLPQ-IUCAKERBSA-N	229.270	2.338	70	20	BEID	
CCCCCN(C(=O)N[C@H]1CCOC1)C(C)C	159467681	TYTTUXHPPQFWKD-LBPRGKRZSA-N	242.363	2.386	70	20	BEID	
COc1cccnc1NC[C@@H]1CCCS1	160252759	ZNBDOJYMCMTODJ-VIFPVBQESA-N	224.329	2.398	70	20	BEID	
Cc1nc(CS[C@@H](C)CO)sc1C	160912708	HPPNXJHHJMLUAR-LURJTMIESA-N	217.359	2.374	70	20	BEID	
C[C@@H](N[C@H](CCO)c1ccccc1)[C@H]1CCOC1	160973625	XXIJCGRCYYMBED-VHDGCEQUSA-N	249.354	2.125	70	20	BEID	
Cc1cc(C[C@H](C)NC(=O)C[C@@H]2C=CCC2)n[nH]1	161234427	CXPSGYBGSLYZKJ-CMPLNLGQSA-N	247.342	2.122	70	20	BEID	
CCC(C)(CC)C(=O)N1CCO[C@H](C)[C@@H]1C	159479708	PAKOLJWHUWPRES-WDEREUQCSA-N	227.348	2.449	70	20	BEID	
CC(C)CNC(=S)N[C@@H](C)C1CCC1	160038035	HKWMPTNHBSYVSK-VIFPVBQESA-N	214.378	2.295	70	20	BEID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)C	160654001	TYWRQWKIBYUDJA-RKDXNWHRSA-N	209.314	2.248	70	20	BEID	
CCOC[C@@H](CS(=O)(=O)Cl)C(C)(C)C	114435043	IZGBMIAOWWXRMD-QMMMGPOBSA-N	242.768	2.254	70	20	BEID	
CCN(CC=C(C)C)Cc1cnn(C)c1	161100308	XVIPYHJQUROMFD-UHFFFAOYSA-N	207.321	2.208	70	20	BEID	
CCCC1(CNC(=O)c2cnn(CC)c2)CC1	160687746	XGHPTGZIXOYTKC-UHFFFAOYSA-N	235.331	2.213	70	20	BEID	
CCC(=O)N1CCC[C@@H]1c1ccc(COC)o1	161187118	KMFOKRROMVGEJY-LLVKDONJSA-N	237.299	2.500	70	20	BEID	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@H](C)N)C1	161288969	ZYJWGKORXCVAQI-AGIUHOORSA-N	246.354	2.047	70	20	BEID	
Cn1ccc(CNCC2CCSCC2)c1	160684379	VAKOOWHHTBXDJD-UHFFFAOYSA-N	224.373	2.258	70	20	BEID	
Cn1ccnc1CN1CC[C@H](c2ccccc2)C1	160874876	IASQIBHUDRRASL-AWEZNQCLSA-N	241.338	2.410	70	20	BEID	
Cc1cccc2c1CC[C@@H]2NCC(=O)NC(C)C	160917996	TWWANTNGZCYYCJ-AWEZNQCLSA-N	246.354	2.097	70	20	BEID	
O=C(COc1ccccc1)NCC1(C2CC2)CC1	160165862	XREZWORTJFSNOE-UHFFFAOYSA-N	245.322	2.372	70	20	BEID	
CC1(C)C[C@@H](NCc2cncs2)CCO1	160431046	PBHMVRXGWMJXGA-VIFPVBQESA-N	226.345	2.190	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)[C@H]1CCC[C@@H](C)C1	160902734	MZOWHBSEEBZWSK-AGIUHOORSA-N	241.375	2.336	70	20	BEID	
C[C@@H](NCCc1cscn1)c1cscn1	161228044	FPBPAYSDCLEUNU-MRVPVSSYSA-N	239.369	2.493	70	20	BEID	
CC(=O)NC1CCC(Nc2cccc(C)n2)CC1	161327354	NVWZKJPPPJHHTR-UHFFFAOYSA-N	247.342	2.249	70	20	BEID	
COC(=O)[C@@H](C)CN(C)[C@@H](C)CC(C)C	218118363	CETPAMKWORQJIZ-QWRGUYRKSA-N	215.337	2.162	70	20	BEID	
O=S(=O)(F)Oc1ccc(Cl)c(F)c1	1887504201	PHNOGPLVKOMZPS-UHFFFAOYSA-N	228.603	2.072	70	20	BEID	
Cc1cc(C(=O)NC2CC=CC2)nn1C(C)(C)C	160985710	ORZPQTHRRWGVAT-UHFFFAOYSA-N	247.342	2.395	70	20	BEID	
CCCCSCCC(=O)NC[C@H](C)CCO	161028927	FVPDORVPNUYUDT-LLVKDONJSA-N	247.404	2.045	70	20	BEID	
CCSCc1cccc(NC(=O)[C@H](C)N)c1	161479961	VAQKPDJTHUTYDE-VIFPVBQESA-N	238.356	2.225	70	20	BEID	
COc1cccc(-c2ccn[nH]2)c1OC	217531021	PASYVJGNRGVVAP-UHFFFAOYSA-N	204.229	2.094	70	20	BEID	
COc1ccc(N[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cn1	217903985	KYXPJSARERREHK-GMXVVIOVSA-N	249.358	2.231	70	20	BEID	
CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	159815089	XHYWGAZXCQVLIO-RKDXNWHRSA-N	225.238	2.157	70	20	BEID	
CCC(N)(CC)CNC(=O)C[C@H]1CC[C@H](C)C1	160503728	AGDAILRYGGGIMD-RYUDHWBXSA-N	240.391	2.446	70	20	BEID	
CCCCn1ncc(C(=O)NC(C)C)c1C	160959876	SXXFACDRVNQVTF-UHFFFAOYSA-N	223.320	2.130	70	20	BEID	
CN(Cc1cn[nH]c1)C(=O)/C=C\c1cccs1	216666555	XNAAVCTVTHJDCX-PLNGDYQASA-N	247.323	2.143	70	20	BEID	
CC[C@@H](C)C(=O)N(C)[C@@H](CO)Cc1ccccc1	216912444	RETUYCNEVMHJNG-TZMCWYRMSA-N	249.354	2.095	70	20	BEID	
c1ccc(OCc2nnc3n2CCCC3)cc1	217323331	VQYPPHUEOONARG-UHFFFAOYSA-N	229.283	2.193	70	20	BEID	
C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cnn(C)c2)C1	160251883	RAZKTZGGWSDYLI-DGCLKSJQSA-N	249.358	2.205	70	20	BEID	
CC(C)N(C)C(=O)CN(C)c1ccccc1F	161117201	UOZKJXYNPZOARR-UHFFFAOYSA-N	238.306	2.129	70	20	BEID	
CCc1nn(C)c(CC)c1CN[C@H](C)C1CC1	159622529	AJQVVYRCYWLOCB-SNVBAGLBSA-N	235.375	2.433	70	20	BEID	
COC(=O)N[C@H]1CCCc2sccc21	159724336	SDVDNWQLNOCECR-QMMMGPOBSA-N	211.286	2.482	70	20	BEID	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)Cl	306316481	RKRKRKOBYFYLQZ-JBDRJPRFSA-N	222.737	2.380	70	20	BEID	
CS[C@H](C)CC(=O)Nc1c(C)n[nH]c1C	159922765	RXZMZDGZVDSKEB-ZCFIWIBFSA-N	227.333	2.107	70	20	BEID	
CCSCCNCC(CC)(CC)C(=O)OC	159682109	VHFADDVKVHCKTG-UHFFFAOYSA-N	247.404	2.309	70	20	BEID	
C[C@H]1CCN(C(=O)NC2CCC2)C[C@H]1C	160865080	UASWLAOZZBOFFO-VHSXEESVSA-N	210.321	2.226	70	20	BEID	
Cc1noc([C@H]2CCCN2CCC(F)(F)F)n1	218764319	KEVOCLAQNHXSIZ-MRVPVSSYSA-N	249.236	2.467	70	20	BEID	
Cc1nc(NC(=O)CC2CC2)cc(C2CC2)n1	160241666	OUPTZUXNAMOLBJ-UHFFFAOYSA-N	231.299	2.401	70	20	BEID	
C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCCO1	160767444	AIRGDDIJNJBFPM-UTUOFQBUSA-N	225.332	2.345	70	20	BEID	
O=S(=O)(Cl)C[C@H](F)C1CCCCC1	258251290	NXFBSMNWAQOLEA-QMMMGPOBSA-N	228.716	2.473	70	20	BEID	
COc1cccc2c1CC[C@@H]2NC(=O)NC1CC1	160281809	LYDXHPIBZPLRSC-LBPRGKRZSA-N	246.310	2.144	70	20	BEID	
Cc1ncn(C[C@@H]2CCC(C)(C)O2)c1C	161457545	KGUYXLCZIVDUQH-NSHDSACASA-N	208.305	2.458	70	20	BEID	
CC[C@@](C)(NC(=O)NC(C)C)c1nccs1	160792194	AWHZDLREVMAOCK-LLVKDONJSA-N	241.360	2.476	70	20	BEID	
CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159719926	KWMQODOZKGMKHI-RDBSUJKOSA-N	246.354	2.176	70	20	BEID	
CC[C@@H](C(=O)N1CCCC(C)(C)CC1)N(C)C	160047278	VTEJYYYLWVUBID-LBPRGKRZSA-N	240.391	2.365	70	20	BEID	
CC[C@H](Nc1ccc(F)c(OC)c1)C(=O)OC	160077209	LLHUOEXHRMTLPY-JTQLQIEISA-N	241.262	2.198	70	20	BEID	
CCN(CC)C(=O)NCC1(C2CC2)CC1	160114208	HHBLKMYRAWYODL-UHFFFAOYSA-N	210.321	2.228	70	20	BEID	
CC(C)[C@@H](C)NC(=O)N[C@H](CCO)C(C)(C)C	161187507	FTVCGNITLYYGJO-GHMZBOCLSA-N	244.379	2.127	70	20	BEID	
CC[C@H](NCCC(C)(C)O)c1c(C)noc1C	159761181	HEIAYYBRWSVFIC-NSHDSACASA-N	240.347	2.493	70	20	BEID	
COC[C@H](C)Nc1ccc2oc(N(C)C)nc2c1	160059918	IWVSNVYHSUHGTN-VIFPVBQESA-N	249.314	2.341	70	20	BEID	
CC(C)C[C@H](CO)N[C@@H](C)c1cscn1	161163792	ACYHWHWHTWHNBD-VHSXEESVSA-N	228.361	2.201	70	20	BEID	
CCC(O)(CC)CN[C@H](C)c1cscn1	161179360	UMEZGWVWGRCUOK-SECBINFHSA-N	228.361	2.345	70	20	BEID	
Cc1cccc(C(=O)N2CCSCC2)c1F	161470890	UODQAPXZBUUHSB-UHFFFAOYSA-N	239.315	2.323	70	20	BEID	
Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)ncn1	161480604	KEDIUODKTBGESE-GXSJLCMTSA-N	233.315	2.094	70	20	BEID	
CCCc1noc(S(=O)(=O)Cl)c1Cl	521400346	GFEVYQDUORIHLO-UHFFFAOYSA-N	244.099	2.208	70	20	BEID	
CCOCCCNC(=S)N[C@@H](C)CC(C)C	159571132	ZBUKCZLUTLIUQQ-NSHDSACASA-N	246.420	2.312	70	20	BEID	
CC[C@](C)(CO)Nc1ccnc(C(C)C)n1	160424547	GBNUHVJGNVFYFM-GFCCVEGCSA-N	223.320	2.173	70	20	BEID	
CCc1nc(CN2CC[C@@H]3CCCC[C@@H]32)no1	160556987	QQPGWMAEZNCRQO-QWRGUYRKSA-N	235.331	2.397	70	20	BEID	
C[C@H]1CCC[C@@H](OCC(=O)NC2CC=CC2)C1	161014004	QGZRUCSBBKMQJU-WCQYABFASA-N	237.343	2.417	70	20	BEID	
CCNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	161050956	HJPMLWFUOOUKLV-FRRDWIJNSA-N	230.311	2.034	70	20	BEID	
CC(C)C[C@H]1CCCN(C(=O)C(C)(C)CN)C1	161473357	ZTKRUUXAZKQASI-GFCCVEGCSA-N	240.391	2.256	70	20	BEID	
CC1=C(C(=O)Nc2ccncc2)CCCO1	160346998	FUKMBJWLHWUILD-UHFFFAOYSA-N	218.256	2.105	70	20	BEID	
CCC(CC)n1nccc1C(=O)N1CCCC1	160562475	GFINXGYFEANQTB-UHFFFAOYSA-N	235.331	2.480	70	20	BEID	
O=C(NCC1CCCC1)c1ccncc1F	161389626	UYIAACIKNDFRQF-UHFFFAOYSA-N	222.263	2.141	70	20	BEID	
CN(C)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	159815235	XHYWGAZXCQVLIO-BDAKNGLRSA-N	225.238	2.157	70	20	BEID	
CCC[C@@H](C)CC(=O)N[C@H](C)CC(=O)OCC	160381180	ZOZRUTGCWITNPX-GHMZBOCLSA-N	243.347	2.271	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)CCC(C)(C)C	160385389	PXRTWWYQMVBWSN-JTQLQIEISA-N	243.347	2.271	70	20	BEID	
CCCCN[C@](C)(CO)c1ccccc1	161158131	PFHVEWSQMSZQFQ-CYBMUJFWSA-N	207.317	2.284	70	20	BEID	
CCC[C@H](C)N[C@@H]1CCN2CCCC[C@@H]12	217670629	XCYGECZFOVREQK-XQQFMLRXSA-N	210.365	2.391	70	20	BEID	
C[C@@H]1CCCN([C@H](C)C(=O)OC(C)(C)C)C1	217724597	XGCZQVMWSYZSCZ-GHMZBOCLSA-N	227.348	2.449	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)NCC1(N)CCCCC1	159590600	ZRLKOKKTBVVSRS-WCQYABFASA-N	238.375	2.200	70	20	BEID	
CC1=CCN(S(=O)(=O)c2ccccc2)CC1	160033393	DRHVYDCJUWDKKR-UHFFFAOYSA-N	237.324	2.027	70	20	BEID	
COc1cccnc1N[C@H](C)[C@@H]1CCCO1	160207208	ZOQVHKJTRNFVGK-ZJUUUORDSA-N	222.288	2.070	70	20	BEID	
CC[C@H]1CCCC[C@H]1NCc1nnnn1C1CC1	161430158	AFPBHBSQWAHLCQ-CMPLNLGQSA-N	249.362	2.066	70	20	BEID	
O=S(=O)(Cl)c1c(O)ccc(Cl)c1F	217487994	RUUWDDONXOHNOV-UHFFFAOYSA-N	245.058	2.112	70	20	BEID	
Cc1ccc2c(c1)C=C(S(=O)(=O)Cl)CO2	100645317	BJIZCBBDGKMKFS-UHFFFAOYSA-N	244.699	2.297	70	20	BEID	
C[C@H](COc1ccccc1)CS(=O)(=O)Cl	108304619	VQTSYFHYONTOMT-SECBINFHSA-N	248.731	2.270	70	20	BEID	
COCC(C)(C)C(=O)NCCc1cccs1	159477962	OPLNFWNTCHOCLN-UHFFFAOYSA-N	241.356	2.079	70	20	BEID	
CC(C)S(=O)(=O)CCCN1CCCCCC1	160460500	TWEWQBCDZOTCTK-UHFFFAOYSA-N	247.404	2.076	70	20	BEID	
C[S@@](=O)c1ncc(C(C)(C)C)s1	160526289	CTBDSCOOKIRIAG-LBPRGKRZSA-N	203.332	2.178	70	20	BEID	
CC[C@H](C(=O)N1CCCC(C)(C)CC1)N(C)C	160047419	VTEJYYYLWVUBID-GFCCVEGCSA-N	240.391	2.365	70	20	BEID	
C[C@H](Nc1ccnc(N(C)C)n1)C1CCC1	160064460	YRMRUEFTMPXOSH-VIFPVBQESA-N	220.320	2.143	70	20	BEID	
CC1=CCN(C(=O)c2[nH]nc3ccccc23)CC1	160177125	LERGGMFZLMHXQP-UHFFFAOYSA-N	241.294	2.355	70	20	BEID	
CCCCO[C@@H](C)C(=O)Nc1cccc(F)n1	160583753	CIPARIGIYJEHHG-VIFPVBQESA-N	240.278	2.364	70	20	BEID	
C[C@H](O)CN(C)[C@@H](C)c1cc(F)ccc1F	159505512	GAGGATKOUBUHCV-IUCAKERBSA-N	229.270	2.338	70	20	BEID	
CCOC(C)(C)CNc1nc(C)cc(OC)n1	159535050	ORDZHUFSQSIEIP-UHFFFAOYSA-N	239.319	2.021	70	20	BEID	
COc1cccnc1N[C@@H](C)[C@H]1CCCO1	160207340	ZOQVHKJTRNFVGK-VHSXEESVSA-N	222.288	2.070	70	20	BEID	
Cc1cccc(C(=O)N[C@]2(C)CCOC2)c1F	160212348	HCQLRGLFLKUPKO-CYBMUJFWSA-N	237.274	2.043	70	20	BEID	
Cc1cnc(N[C@@H]2CCCSC2)nc1	160434841	GPXKEMHRPULXLF-SECBINFHSA-N	209.318	2.093	70	20	BEID	
CCO[C@H](C)C(=O)NCCCSCC(C)C	160751191	VSODTZIDSUPKDW-LLVKDONJSA-N	247.404	2.307	70	20	BEID	
CN(Cc1cccn1C)C(=O)C1=CCCC1	160920409	OQRMEGOMTYMLFC-UHFFFAOYSA-N	218.300	2.094	70	20	BEID	
CCCOC[C@H](CC)CS(=O)(=O)Cl	114433417	YZSKRWBWCZZRTK-QMMMGPOBSA-N	228.741	2.008	70	20	BEID	
O=C(NCC1(C2CC2)CC1)C1CC=CC1	159694935	NKMBTAVAPQJUHX-UHFFFAOYSA-N	205.301	2.259	70	20	BEID	
Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C)ncn1	159985945	WFRRXSANFYOMJX-JQWIXIFHSA-N	247.342	2.341	70	20	BEID	
CC[C@H](N)C(=O)NCC1(CC(C)C)CCC1	160677354	XNZXRVBOSHXZHU-NSHDSACASA-N	226.364	2.056	70	20	BEID	
CCCn1nc(C)c(C(=O)N[C@@H](C)CC)c1C	161113024	WJQWIFMOXNVLCI-VIFPVBQESA-N	237.347	2.438	70	20	BEID	
Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ncn1	161199538	GOYFKWBMUKXTAN-ONGXEEELSA-N	233.315	2.094	70	20	BEID	
c1ccn(-c2cnn(Cc3nccs3)c2)c1	161377902	IHGARUKAJCPFPN-UHFFFAOYSA-N	230.296	2.179	70	20	BEID	
Cc1nnc(NC2C[C@@H](C)O[C@H](C)C2)s1	218093799	DBFAOGIYNLQZHD-RNFRBKRXSA-N	227.333	2.214	70	20	BEID	
CC1=C(C(=O)Nc2nccs2)CCCO1	160658717	ATDQMOZMWFXHAJ-UHFFFAOYSA-N	224.285	2.166	70	20	BEID	
C[C@]1(Nc2nccc(C(F)(F)F)n2)CCOC1	159999443	JGHPFTNUJBQBKE-VIFPVBQESA-N	247.220	2.086	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)C(C)C	160229581	WQYQXUHQWDMWAB-QWRGUYRKSA-N	243.347	2.127	70	20	BEID	
CCCOCC(=O)OCc1nc(C)sc1C	160761314	JQVPKMAVCZRTED-UHFFFAOYSA-N	243.328	2.230	70	20	BEID	
CCCCNC(=S)N[C@@H]1CCOC(C)(C)C1	159749536	XUOIRHXXRILKCC-SNVBAGLBSA-N	244.404	2.208	70	20	BEID	
O=C(/C=C/CCc1ccccc1)N1CCOCC1	217038772	JUAQMDRFSCHUEI-WEVVVXLNSA-N	245.322	2.034	70	20	BEID	
COCCCNc1ccncc1Br	159814413	QJOMPWLAFSUVGI-UHFFFAOYSA-N	245.120	2.293	70	20	BEID	
Cc1noc(NC(=O)[C@H]2CCC[C@@H](C)C2)n1	161248910	RRVYANUWEZOWRB-APPZFPTMSA-N	223.276	2.143	70	20	BEID	
CONC(=O)CCc1c[nH]c2c(C)cccc12	159853341	FIYNAHPZDJGMSS-UHFFFAOYSA-N	232.283	2.087	70	20	BEID	
CCNC(=O)c1cccc(CN[C@H](C)CC)c1	160188425	ZLLWESUFZQURSP-LLVKDONJSA-N	234.343	2.324	70	20	BEID	
Cn1ccnc1CN1CC[C@@H](c2ccccc2)C1	160875013	IASQIBHUDRRASL-CQSZACIVSA-N	241.338	2.410	70	20	BEID	
CCC[C@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1	161443151	YBFUMRXUHNHRIJ-QWHCGFSZSA-N	240.391	2.399	70	20	BEID	
Cc1nc(CN2CC[C@@H]3CCCC[C@@H]32)no1	159604094	DZMBQCATCJZNBX-QWRGUYRKSA-N	221.304	2.143	70	20	BEID	
COCC[C@@H](C)N[C@@H](C)c1cscn1	161181342	BBQLAXCODXENAE-BDAKNGLRSA-N	214.334	2.219	70	20	BEID	
Cc1cccc(NC(=O)[C@@H]2CCCCO2)c1O	160023784	MRZFGWATELZMBP-NSHDSACASA-N	235.283	2.208	70	20	BEID	
COC(=O)CCCSCC(=O)OC(C)(C)C	160982871	DNFVYNSOGNEEGW-UHFFFAOYSA-N	248.344	2.015	70	20	BEID	
COC[C@@H](N[C@H](C)c1cscn1)C(C)C	161211453	HXKMGMQGRVZSBW-NXEZZACHSA-N	228.361	2.465	70	20	BEID	
CC[C@H](CSC)Nc1cc(F)ncn1	217438023	LXGTYWAQPMNRSW-SSDOTTSWSA-N	215.297	2.169	70	20	BEID	
CC1(C)[C@H]2CC[C@H](S(=O)(=O)Cl)[C@H]1C2	307656745	YZVUYPLNFAMNDQ-RNJXMRFFSA-N	222.737	2.380	70	20	BEID	
C1CCN(c2nnc(C3CC3)s2)CC1	159810284	KGUXKYKBUYLUKV-UHFFFAOYSA-N	209.318	2.406	70	20	BEID	
Cc1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1C	160392510	YVJWOPVELRZOMD-OLZOCXBDSA-N	247.342	2.463	70	20	BEID	
CCc1ncc(NC(=O)N(C)[C@H](C)CC)cn1	161174661	KKCDKDVQABOVHW-SECBINFHSA-N	236.319	2.301	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCOC1	159537977	XFEHXZWPLNEHQX-UPJWGTAASA-N	239.359	2.498	70	20	BEID	
CSCCNC(=O)c1ccc(C(C)C)nc1	160008740	BRLYCKXFIVGDEA-UHFFFAOYSA-N	238.356	2.298	70	20	BEID	
Cc1noc(C)c1[C@@H](C)CC(=O)NCCCF	160457884	XFNVZVWNFSOWAP-QMMMGPOBSA-N	242.294	2.261	70	20	BEID	
CC(C)NC(=S)N1CC[C@H](C)[C@@H](C)C1	160868619	QKQMZJLSRXQQGP-UWVGGRQHSA-N	214.378	2.247	70	20	BEID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)c(C)c1	160974906	YHGHGJGHTMWOEP-CHWSQXEVSA-N	246.354	2.303	70	20	BEID	
C[C@@H](c1ccccc1)S(=O)(=O)Cl	80545998	QONVWLTTWDJSHM-ZETCQYMHSA-N	204.678	2.316	70	20	BEID	
COC[C@@H](NCCC(C)(C)O)c1ccc(C)o1	159672527	UADVKDHUPXEYSH-LLVKDONJSA-N	241.331	2.026	70	20	BEID	
C[C@H]1CN(C(=O)N2CCCCCC2)CCCO1	160534588	APAIXHCXCJSYGU-LBPRGKRZSA-N	240.347	2.093	70	20	BEID	
COC[C@H](NC[C@H]1CCO[C@@H]1C(C)C)C1CC1	160913361	YRHBKOKWCYKGII-HZSPNIEDSA-N	241.375	2.062	70	20	BEID	
N[C@H]1CCC[C@@H](NC(=O)CCC2CCCC2)C1	161198572	FTOOYBCZMBNPCX-QWHCGFSZSA-N	238.375	2.343	70	20	BEID	
C(=C\c1ccccc1)\CN1C[C@@H]2CC[C@H](C1)N2	217599929	JIMPYGJQOHUFNY-UILWWFOHSA-N	228.339	2.136	70	20	BEID	
Cc1cnccc1CNCc1nccs1	160593678	IHJHPJVHRVLMKG-UHFFFAOYSA-N	219.313	2.136	70	20	BEID	
Cc1ccc(NCc2cn(C)nc2C)nc1	160477368	ZQOVGTZKYLCBAA-UHFFFAOYSA-N	216.288	2.044	70	20	BEID	
Cc1c(CNCCC(C)(C)C)cnn1C	159837798	DIVZTPJYNGHZQV-UHFFFAOYSA-N	209.337	2.254	70	20	BEID	
C[C@H](CC(=O)NCC(C)(C)N)C1CCCCC1	160093586	MAQLWNWVWOSRTE-LLVKDONJSA-N	240.391	2.446	70	20	BEID	
O=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCCO1	160341116	IJQWHSYLYPBYOD-ZIAGYGMSSA-N	245.322	2.359	70	20	BEID	
CCc1cc(O)nc(CN2CCCC[C@H]2C)n1	160497604	DZWPIEALCHFREQ-SNVBAGLBSA-N	235.331	2.119	70	20	BEID	
CCCCCC(=O)N[C@@H](C)CC(=O)OCC	160841342	CYYGGKWPLMSPQD-JTQLQIEISA-N	229.320	2.025	70	20	BEID	
CCC[C@H]1CCCN(C(=O)C[C@@H]2CCCN2)C1	161448323	VMJUVFKUDRQMDC-STQMWFEESA-N	238.375	2.167	70	20	BEID	
CC[C@H](CSC)Nc1ccc(C)nn1	217383116	XZDKAPBIBQRCLH-SECBINFHSA-N	211.334	2.339	70	20	BEID	
CC1=CCN(C(=O)c2ccccc2)CC1	160162710	OVBYYCITESTTIU-UHFFFAOYSA-N	201.269	2.479	70	20	BEID	
Cc1nc(O)ccc1C(=O)N[C@H]1CCC[C@H]1C	161441444	AGNWSMHAEMAFPF-KCJUWKMLSA-N	234.299	2.014	70	20	BEID	
COCCC1(C(=O)N(C)CC2CCCC2)CC1	161088093	XAPWRYWGXDCAQG-UHFFFAOYSA-N	239.359	2.452	70	20	BEID	
C[C@@H](CCC1CCCCC1)NC(=O)[C@H](C)N	160913983	SZFLCAHTFIWDDR-QWRGUYRKSA-N	226.364	2.199	70	20	BEID	
COC[C@@H](NC(=O)N[C@H](C)CC(C)C)C1CC1	160937272	BZGJXQNOUSEBFC-ZYHUDNBSSA-N	242.363	2.145	70	20	BEID	
CC(C)(C)CCOCCCS(=O)(=O)Cl	116968256	FDXLLQYPUQGXFS-UHFFFAOYSA-N	242.768	2.398	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cccnc1	159523287	KQBHOIYPTFCZAJ-PWSUYJOCSA-N	218.300	2.390	70	20	BEID	
CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCCO1	159563742	ONDUQODRRZKBRU-RYUDHWBXSA-N	227.348	2.496	70	20	BEID	
O=C(/C=C/C1CCOCC1)NCC1(C2CC2)CC1	160097993	HFKXSMFNGHKNBA-DAFODLJHSA-N	249.354	2.276	70	20	BEID	
Cc1ccsc1CCCC(=O)N(C)C	160653478	LMFKSEBUNMKPSP-UHFFFAOYSA-N	211.330	2.467	70	20	BEID	
C[C@H]1CCCN1CCCN1CCCCC1	161333693	NOPMVSKXKJMOER-ZDUSSCGKSA-N	210.365	2.347	70	20	BEID	
CCc1ncnc(S[C@@H](C)CCO)c1F	218047163	FYVZIIOTEQDIQD-ZETCQYMHSA-N	230.308	2.041	70	20	BEID	
CCCC(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160433547	DJBTVADGIQEYQZ-UHFFFAOYSA-N	234.259	2.112	70	20	BEID	
C[C@H](O)CN(C)C(=O)CC1CCC(C)(C)CC1	160096003	KZUUGORLOCAQFF-NSHDSACASA-N	241.375	2.432	70	20	BEID	
CCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160759721	PJCNFXDZYNGTJI-NSHDSACASA-N	225.332	2.395	70	20	BEID	
CCCc1ccc(C(=O)N2CC[C@@H](NC)C2)cc1	160736531	LHFZVIUMJDJURV-CQSZACIVSA-N	246.354	2.073	70	20	BEID	
CC(C)CCS(=O)(=O)NCC1(C2CC2)CC1	160158852	WRGKWLXXEYMAEA-UHFFFAOYSA-N	245.388	2.142	70	20	BEID	
CC[C@]1(C)CCCN(C(=O)C2CCNCC2)C1	160776047	VBGURRMVIXRUBF-CQSZACIVSA-N	238.375	2.025	70	20	BEID	
CC[C@H]([C@@H]1CC1(C)C)S(=O)(=O)Cl	306578356	MGFYGWLAHAHRSJ-NKWVEPMBSA-N	210.726	2.380	70	20	BEID	
CC(C)Oc1ccccc1S(=O)(=O)Cl	100239375	GQWKOJNHFMKMOX-UHFFFAOYSA-N	234.704	2.401	70	20	BEID	
CCC(CC)(CO)CNCc1cncs1	159657121	ZFLCDAMNLAEVEC-UHFFFAOYSA-N	228.361	2.031	70	20	BEID	
CCC[C@@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1	161443023	YBFUMRXUHNHRIJ-CHWSQXEVSA-N	240.391	2.399	70	20	BEID	
CC[C@@H](CSC)NCC1(O)CCCC1	217329803	OJMWJPNYPNNKIX-JTQLQIEISA-N	217.378	2.023	70	20	BEID	
COc1ccc(CN(C)CC2=CCCOC2)cc1	159867826	HFAKBPCRKLOVEV-UHFFFAOYSA-N	247.338	2.474	70	20	BEID	
CCOCCCCNC(=O)C[C@H](C)SC	160304514	LKPGNLMHQRTVPQ-JTQLQIEISA-N	233.377	2.061	70	20	BEID	
COC(CN1CCC[C@@H]1c1ccccc1)OC	160356313	QWTIVEKDCJGFGG-CYBMUJFWSA-N	235.327	2.442	70	20	BEID	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCCO2)C1	160933355	HAMBAPKXVCOLLK-TUAOUCFPSA-N	225.332	2.060	70	20	BEID	
C[C@@H](CCN(C)C)N[C@@H](C)c1cscn1	161178232	YBSZRLQZLWKSLI-UWVGGRQHSA-N	227.377	2.134	70	20	BEID	
C[C@H]1C[C@@H](Nc2cccc(F)n2)CCO1	161308891	JNXWIPGIFBALCY-IUCAKERBSA-N	210.252	2.200	70	20	BEID	
Cc1nc(O)ccc1C(=O)N[C@H]1CCC[C@@H]1C	161441189	AGNWSMHAEMAFPF-KWQFWETISA-N	234.299	2.014	70	20	BEID	
Cc1cccc(CNC(=O)Nc2ncccn2)c1	217314493	CKWMUFQBMQPAPX-UHFFFAOYSA-N	242.282	2.107	70	20	BEID	
c1nc2c(n1CCN1CCCCC1)CCCC2	160723123	FOBJYJZWHSIXHS-UHFFFAOYSA-N	233.359	2.248	70	20	BEID	
CCc1nc(CS[C@@H](C)CO)cs1	160780549	SVLAYJMCFABLNB-ZETCQYMHSA-N	217.359	2.320	70	20	BEID	
C[C@H]1CCC[C@H](c2noc([C@H](C)N)n2)C1	161002694	JASYVVQIGGCVKD-CIUDSAMLSA-N	209.293	2.383	70	20	BEID	
CC[C@H](C)NC(=O)NCCc1cccc(F)c1	217435610	YWFXYXZOQIIUOJ-JTQLQIEISA-N	238.306	2.466	70	20	BEID	
C[C@H]1CC[C@@H](C)C[C@H]1S(=O)(=O)Cl	113260871	ILHLYXWWEDBIHU-GJMOJQLCSA-N	210.726	2.380	70	20	BEID	
FCCNCc1cccc2cccnc12	159421798	OHBZTDNNWQOSLI-UHFFFAOYSA-N	204.248	2.294	70	20	BEID	
CC(C)Oc1cccnc1N[C@@H]1CCOC1	159460760	DYDKRUUWWHNWOP-SNVBAGLBSA-N	222.288	2.070	70	20	BEID	
COc1cc(C)nc(NC2(C)CCC2)n1	159973817	CQGOXHPWWBNBTQ-UHFFFAOYSA-N	207.277	2.148	70	20	BEID	
C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCO2)C1	161055202	MOFQCRJHYQJIBN-WOPDTQHZSA-N	225.332	2.250	70	20	BEID	
C[C@@H]1CCCC[C@H]1CN1CC[C@@H](CN)C1	218452901	MUDOHBMQSDVBSE-AGIUHOORSA-N	210.365	2.093	70	20	BEID	
O=S(=O)(F)c1ccc([C@@H]2CC2(F)F)cc1	1772718228	ZKYYOHSNWJCKQF-QMMMGPOBSA-N	236.214	2.467	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCOC1	159545603	SZENNIUJPRHNGM-UTUOFQBUSA-N	225.332	2.108	70	20	BEID	
CCSCCN(C)Cc1cscn1	159642510	FZPYBRMXOZDOOZ-UHFFFAOYSA-N	216.375	2.328	70	20	BEID	
CCC[C@H](C)CC(=O)N[C@H](C)CC(=O)OCC	160381316	ZOZRUTGCWITNPX-WDEREUQCSA-N	243.347	2.271	70	20	BEID	
COCC(C)(C)C(=O)Nc1ccc(C)nc1	160489599	CSRIQPWPQBMXLP-UHFFFAOYSA-N	222.288	2.001	70	20	BEID	
CCN(CC(C)C)C(=O)c1ccncc1F	161389072	IKCXHXDMEWTGSN-UHFFFAOYSA-N	224.279	2.339	70	20	BEID	
COC(=O)c1ccnc(NCC(C)(C)C)c1	218123522	YHHWFMNRYDFAQW-UHFFFAOYSA-N	222.288	2.326	70	20	BEID	
CCOC(=O)c1coc(N2CC[C@@H](CC)C2)n1	160248563	TVCSWHNMXFEKSF-SECBINFHSA-N	238.287	2.088	70	20	BEID	
CCN(CC)C(=O)N1CC[C@H](C)[C@H](C)C1	160898461	IKYYBZXZGGOVQQ-WDEREUQCSA-N	212.337	2.426	70	20	BEID	
CC[C@H](CCO)NC(=O)c1sccc1Cl	218184570	IRUYDUGBWXALGP-SSDOTTSWSA-N	247.747	2.292	70	20	BEID	
CC(C)C[C@@H](C)NC(=O)NCCn1cccc1	159937979	MFVHGLLKMGYLSX-GFCCVEGCSA-N	237.347	2.222	70	20	BEID	
c1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccn1	159622092	LWKSHOHKIAFUOL-MJBXVCDLSA-N	244.338	2.129	70	20	BEID	
CN(CCNC(=O)C1(C)CC1)c1ccccc1	160182813	LTDKFLUNWNMUBF-UHFFFAOYSA-N	232.327	2.039	70	20	BEID	
C[C@@H](NCC(C)(C)O)c1ccnc(Cl)c1	160628000	FJBNLELTBFKEGR-MRVPVSSYSA-N	228.723	2.157	70	20	BEID	
CCOC(=O)CCCCCS[C@H](C)CO	160710398	GLOUMVPICMELMA-SNVBAGLBSA-N	234.361	2.224	70	20	BEID	
CC[C@H](Cc1ccccc1)N(CC)C(=O)CNC	161435545	SEXKJQIIHZATHW-CQSZACIVSA-N	248.370	2.076	70	20	BEID	
CCC[C@H](O)CNC(=O)c1sccc1Cl	218187901	DHOGDBPJJMDDMR-ZETCQYMHSA-N	247.747	2.292	70	20	BEID	
CCOc1cc(NCCOC(C)C)nc(C)n1	160592513	CILWHDCIPJEMFM-UHFFFAOYSA-N	239.319	2.021	70	20	BEID	
NCCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159724935	DCAGXLBTOCKCAA-UONOGXRCSA-N	246.354	2.178	70	20	BEID	
CCOCCC(=O)N[C@H]1CCC[C@@H]1CC	159668702	HZZCCMHWKUPALP-QWRGUYRKSA-N	213.321	2.108	70	20	BEID	
CC1(C)CCC(C(=O)N2CCC[C@H](O)C2)CC1	159817818	BZHIVVUCCXPEGL-LBPRGKRZSA-N	239.359	2.186	70	20	BEID	
CCCCOCCCNc1ncc(C)cn1	160421655	HQDDNKZOCJRMKP-UHFFFAOYSA-N	223.320	2.404	70	20	BEID	
O=c1c2ccoc2ccn1Cc1nccs1	161319829	DQUXFMPKNJMGMW-UHFFFAOYSA-N	232.264	2.099	70	20	BEID	
CC(C)OCc1ccc(S(=O)(=O)Cl)o1	521399962	GPEFMHIAQLZTGK-UHFFFAOYSA-N	238.692	2.132	70	20	BEID	
CCc1ccc(/C=C/C(=O)N[C@@H]2CCCOC2)o1	159841450	YKEPQQSWFVXICU-WSKFYRRCSA-N	249.310	2.150	70	20	BEID	
NCC[C@@H]1CCN(CC2CCCCC2)C1	160048021	VKFUCEXOWSJTMK-CYBMUJFWSA-N	210.365	2.237	70	20	BEID	
CC(C)CC[C@H](NC(=O)[C@H](C)N)C(C)(C)C	160071148	XCEGSDJPJSEMHF-QWRGUYRKSA-N	228.380	2.301	70	20	BEID	
CCCCCC(=O)N[C@H](C)CC(=O)OCC	160841477	CYYGGKWPLMSPQD-SNVBAGLBSA-N	229.320	2.025	70	20	BEID	
CN[C@@H]1CCN(C[C@@H]2CCCC[C@@H]2C)C1	218450617	YNWOKELNNHMNAQ-RWMBFGLXSA-N	210.365	2.106	70	20	BEID	
CC[C@@](C)(CO)Nc1ccnc(C(C)C)n1	160424427	GBNUHVJGNVFYFM-LBPRGKRZSA-N	223.320	2.173	70	20	BEID	
C[C@@H]1CCN(C(=O)N2CCCC2)C[C@@H]1C	160858819	MVRKWBHEGWBGBH-MNOVXSKESA-N	210.321	2.180	70	20	BEID	
ClB(Cl)c1ccc(B(Cl)Cl)cc1	196486973	IMFWGHOKDVKPJX-UHFFFAOYSA-N	239.534	2.032	70	20	BEID	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@H]1C1CC1	161012012	TUUWZYPYVCNVTJ-QWHCGFSZSA-N	232.327	2.030	70	20	BEID	
C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1cscn1	161209821	KUBOXJIJWNJKON-FOGDFJRCSA-N	240.372	2.345	70	20	BEID	
CCOCCC(=O)Nc1cc(C2CC2)nc(C)n1	160184250	DSYUULXKQJQYPC-UHFFFAOYSA-N	249.314	2.028	70	20	BEID	
CO[C@H](C(=O)NC1CC=CC1)c1ccccc1	160941202	KUPYHIOBBIDHIT-ZDUSSCGKSA-N	231.295	2.209	70	20	BEID	
COc1ncccc1NC(=O)C[C@@H](C)SC	159926634	MQUCBTOMNGJKNH-MRVPVSSYSA-N	240.328	2.170	70	20	BEID	
CCCCNC(=O)[C@@H](C)Sc1ccncc1	159961604	VFDSHKIJPOINDJ-SNVBAGLBSA-N	238.356	2.479	70	20	BEID	
CCC(C)(CC)C(=O)N1CCC[C@H](CO)C1	159433082	BMELRQDJHXQKLV-NSHDSACASA-N	227.348	2.044	70	20	BEID	
CC1(C)C[C@@H]1NCc1cc(O)cc(F)c1	159597873	MNBWLECASBVGKA-NSHDSACASA-N	209.264	2.419	70	20	BEID	
CCOC(CN(C)[C@H](CC)CSC)OCC	159669306	UMQOXYUOKHWHAF-LLVKDONJSA-N	249.420	2.459	70	20	BEID	
O=C(NCC1(C2CC2)CC1)c1cscn1	159832531	FFODPFYPADKXAQ-UHFFFAOYSA-N	222.313	2.063	70	20	BEID	
COc1cccnc1NC[C@H]1CCCS1	160252896	ZNBDOJYMCMTODJ-SECBINFHSA-N	224.329	2.398	70	20	BEID	
CCc1ncnc(S[C@H](C)CCO)c1F	218047252	FYVZIIOTEQDIQD-SSDOTTSWSA-N	230.308	2.041	70	20	BEID	
CN(Cc1ccsc1)C(=O)[C@H]1CCCCO1	160180007	IEZJJTPDPPPJEY-LLVKDONJSA-N	239.340	2.276	70	20	BEID	
COC[C@@H](C)NC[C@@H](C1CCCCC1)N(C)C	160420795	XGGYMGGOFZDACE-OCCSQVGLSA-N	242.407	2.121	70	20	BEID	
Cc1c(F)cccc1NC(=O)N[C@@H]1CCOC1	159393586	JSGLJGBZFLGQBB-SECBINFHSA-N	238.262	2.045	70	20	BEID	
Cc1ccccc1NC(=O)N[C@H]1CC[C@H](O)CC1	159724704	MXDFRRRDFXHAKG-TXEJJXNPSA-N	248.326	2.420	70	20	BEID	
C[C@@H](CCO)NC(=O)N[C@H](C)CCC(C)(C)C	160417365	PMLYJXKXTKRTCW-MNOVXSKESA-N	244.379	2.271	70	20	BEID	
Cc1ccnc(N[C@H]2CCOC(C)(C)C2)n1	160619309	WNYSJICBUZVMQN-JTQLQIEISA-N	221.304	2.155	70	20	BEID	
CC[C@H](C)OCC(=O)N1CC[C@H](C)[C@@H]1C	160696918	XWDFELIJWJHZRH-DCAQKATOSA-N	213.321	2.058	70	20	BEID	
CCCC[C@H](C(=O)OC)N(CC)CCC	161012779	SCCRTAHUBOORCF-LLVKDONJSA-N	215.337	2.450	70	20	BEID	
O=C(NC1CC=CC1)[C@@H]1CCOc2ccccc21	161019296	RZHDPSFDOPGHHW-CYBMUJFWSA-N	243.306	2.388	70	20	BEID	
CCO[C@H]1CCCN(C(=O)C[C@H](C)SC)C1	161098126	LKGIXIHWXDMVPT-QWRGUYRKSA-N	245.388	2.156	70	20	BEID	
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CCCCO1	161135205	CUZQJEIAPILILG-ZYHUDNBSSA-N	237.299	2.368	70	20	BEID	
COc1cc(CN(C)Cc2ccccc2)on1	217111871	KTPHNPSYRQOSMY-UHFFFAOYSA-N	232.283	2.315	70	20	BEID	
CCOCC(=O)N[C@@H](C)c1cccc(C)c1	160323750	ZCDIHGKRSXJKMF-NSHDSACASA-N	221.300	2.209	70	20	BEID	
CCC[C@H](C(=O)NC[C@@H]1CCCO1)C(C)C	160640703	METDLHGOSVOPRG-RYUDHWBXSA-N	227.348	2.354	70	20	BEID	
CN(Cc1cccn1C)C(=O)Cc1cccs1	160741648	GUQFWXAZBPTZOT-UHFFFAOYSA-N	248.351	2.288	70	20	BEID	
CC(C)CCN[C@@H]1C[C@H](C)N(C)C[C@@H]1C	217915366	ZFIXXZSHKWLXSS-RWMBFGLXSA-N	212.381	2.351	70	20	BEID	
CC(C)C1CCC(NC(=O)[C@@H]2CCCN2)CC1	159386642	XZHAPQGPRQEIHU-BPCQOVAHSA-N	238.375	2.069	70	20	BEID	
CC(C)C[C@@H](C)NC(=S)NC1CC1	159572520	LSKJUAFUZDPNOW-MRVPVSSYSA-N	200.351	2.048	70	20	BEID	
CCONC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	159592644	XKQHLWPADYCPPO-RKDXNWHRSA-N	241.237	2.136	70	20	BEID	
CC1=CCN(C(=O)c2cc(F)ccc2O)CC1	160228321	XSTGVUSYLQARQH-UHFFFAOYSA-N	235.258	2.324	70	20	BEID	
c1nc2c(n1Cc1nc(C3CC3)no1)CCCC2	160725978	TYFZSMOXIQGORN-UHFFFAOYSA-N	244.298	2.071	70	20	BEID	
CCCC[C@@H](C(=O)OC)N(CC)CCC	161012659	SCCRTAHUBOORCF-NSHDSACASA-N	215.337	2.450	70	20	BEID	
CCC(C)(C)CNCCNC(C)(C)C	161450465	IKQMYZGMOSWTJQ-UHFFFAOYSA-N	200.370	2.400	70	20	BEID	
COCCC[C@@H](C)C(=O)Nc1cccc(F)n1	160529522	GXGIOAUKXZSYQM-SECBINFHSA-N	240.278	2.222	70	20	BEID	
COC(C)(C)CNc1cc(OC(C)C)ncn1	160612744	CUFGAYDIHNGXKX-UHFFFAOYSA-N	239.319	2.101	70	20	BEID	
CCc1nnc(COc2cc(F)cc(F)c2)o1	160761462	UNXZWXVPCQDVJI-UHFFFAOYSA-N	240.209	2.489	70	20	BEID	
C[C@@H](CC(=O)N(C)[C@@H](C)CO)c1ccccc1	160394208	NKUBXNKGFBPSRP-RYUDHWBXSA-N	235.327	2.019	70	20	BEID	
C[C@H](N[C@H](CCO)c1ccccc1)[C@@H]1CCOC1	160973226	XXIJCGRCYYMBED-NWANDNLSSA-N	249.354	2.125	70	20	BEID	
CCNC(=O)Nc1cnn(CCC(C)C)c1C	161393164	KNKBKTANNKXOGB-UHFFFAOYSA-N	238.335	2.379	70	20	BEID	
CC(C)CSCCCNC(=O)c1cocn1	160842769	PEYNBRSJBYZCGA-UHFFFAOYSA-N	242.344	2.184	70	20	BEID	
CC(C)NC(=O)CN[C@H]1c2ccccc2C[C@@H]1C	160937604	JILVBKKDPVNSRR-XHDPSFHLSA-N	246.354	2.034	70	20	BEID	
COCCCCC(=O)N1[C@H](C)CC[C@H]1C	161484766	VHOLSHQYGKZYKX-GHMZBOCLSA-N	213.321	2.203	70	20	BEID	
O=S(=O)(Cl)Cc1cncc2ccccc12	166962843	BJWZRFKKDNTWIT-UHFFFAOYSA-N	241.699	2.303	70	20	BEID	
CCC[C@@H]1C[C@@H]1NC(=O)Nc1cnc(CC)nc1	161148632	LJVHKUIMZWGWGY-KOLCDFICSA-N	248.330	2.349	70	20	BEID	
CC[C@H]1CCCN1C(=O)c1ccncc1F	161429893	YTUGLBRPGBKDHJ-VIFPVBQESA-N	222.263	2.235	70	20	BEID	
C[C@@H](CCC(C)(C)C)NC(=O)C(C)(C)N	161229060	LSNLSKHJTZFRNE-VIFPVBQESA-N	214.353	2.055	70	20	BEID	
CS[C@H](C)CC(=O)Nc1ncccc1C	159743368	XVUFNNWIJBNGCO-SECBINFHSA-N	224.329	2.470	70	20	BEID	
COC[C@@H](C)Nc1ccc2oc(N(C)C)nc2c1	160060067	IWVSNVYHSUHGTN-SECBINFHSA-N	249.314	2.341	70	20	BEID	
C[C@H](CC(=O)N(C)CC(F)F)c1ccncc1	160432246	UYDJPUXEMHUZNQ-SECBINFHSA-N	242.269	2.299	70	20	BEID	
c1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1	159621421	HCQALCFCCICVSB-RDBSUJKOSA-N	244.338	2.129	70	20	BEID	
CC(C)CNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159656249	GFEYTCRIUOUEBF-STQMWFEESA-N	238.375	2.023	70	20	BEID	
CC(C)(N)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1	159945696	XNGVITZDUFYWJC-NWDGAFQWSA-N	238.375	2.056	70	20	BEID	
CS[C@@H](C)CC(=O)NCc1csc(C)n1	160222032	IEAVSEOBRNNPEF-ZETCQYMHSA-N	244.385	2.209	70	20	BEID	
Cc1cccc(C(=O)Nc2nncs2)c1F	161424621	RLGYINTZCDYQNJ-UHFFFAOYSA-N	237.259	2.238	70	20	BEID	
CC1CCC(CN[C@H](C(N)=O)C(C)(C)C)CC1	159542958	JWOWTMXMGPIRMB-HTAVTVPLSA-N	240.391	2.302	70	20	BEID	
CC1=C(C(=O)N[C@H](C)c2cccnc2)CCCO1	159643816	BGPGPERACNQDEI-SNVBAGLBSA-N	246.310	2.343	70	20	BEID	
Cc1cc(N[C@@H](C)c2nc(C3CC3)no2)nn1C	159668574	GTDNKSUVWHNJIG-QMMMGPOBSA-N	247.302	2.162	70	20	BEID	
Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C)n1	160276212	NFZJSPRKMZCTPC-STQMWFEESA-N	247.342	2.463	70	20	BEID	
CN(C(=O)N1CCCCCC1)C1CCOCC1	160367003	VMYJZBOJINMTOL-UHFFFAOYSA-N	240.347	2.093	70	20	BEID	
CCC[C@@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159371053	QYUTUQHEFRRWSY-MRVPVSSYSA-N	222.288	2.058	70	20	BEID	
CCc1ccc(CC(=O)Nc2cn[nH]c2)cc1	160393834	XUEDUCDHMLWRMH-UHFFFAOYSA-N	229.283	2.153	70	20	BEID	
CCc1cc(O)nc(CN2CCC[C@@H](CC)C2)n1	160819203	FSHVVCJXNSRFMU-LLVKDONJSA-N	249.358	2.367	70	20	BEID	
CN(C(=O)CC1CCC(=O)CC1)C1CCC1	218552566	KGCZTDRXQGPTKB-UHFFFAOYSA-N	223.316	2.147	70	20	BEID	
CCOC(C)(C)CNc1nccn2nc(C)cc12	159512374	ZOMSHIPVDTVIBI-UHFFFAOYSA-N	248.330	2.265	70	20	BEID	
CC(=O)c1ccc(OCc2ccnn2C)cc1F	161374480	VERQGQUKUXXPEA-UHFFFAOYSA-N	248.257	2.341	70	20	BEID	
COc1cc(C)nc(N[C@H](C)c2cccnc2)n1	161090503	CQOBWHBPAAHACK-SNVBAGLBSA-N	244.298	2.362	70	20	BEID	
COC[C@@H](N[C@H](CCO)c1ccccc1)C1CC1	161107342	KGNOUSHUCSQJIG-HUUCEWRRSA-N	249.354	2.125	70	20	BEID	
CCC(C)(CC)C(=O)N(C)C[C@@H](O)C1CC1	159443064	LTKCURAOIKTINU-LLVKDONJSA-N	227.348	2.042	70	20	BEID	
CN(CCN1CCCC1)CC1CCCC1	161503560	CTCVZZDJFRYSJQ-UHFFFAOYSA-N	210.365	2.204	70	20	BEID	
CCCC[C@@H](CC)CC(=O)N1CCNCC1	159378968	QYFHPSYUULJEDZ-GFCCVEGCSA-N	226.364	2.025	70	20	BEID	
Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)ncn1	160279960	DVFIESKFSDEKMP-VXGBXAGGSA-N	233.315	2.155	70	20	BEID	
CCCC[C@H](COC)NC[C@H]1CCCC[C@@H]1O	160572650	CXPTWDVDTGOEDT-MCIONIFRSA-N	243.391	2.332	70	20	BEID	
C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	160893287	FVMNZLSPRBJULV-NWDGAFQWSA-N	248.326	2.311	70	20	BEID	
CC(=O)N1CC[C@H](N[C@H](C)c2ccccc2C)C1	159814785	YBRIYVHEYDHPHI-OCCSQVGLSA-N	246.354	2.266	70	20	BEID	
CS[C@H](C)CC(=O)NCc1csc(C)n1	160221914	IEAVSEOBRNNPEF-SSDOTTSWSA-N	244.385	2.209	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)C1(CC)CCC1	160327961	MBSBQPXPEMPMDC-JTQLQIEISA-N	241.331	2.025	70	20	BEID	
C1CCC(CCN2CCC3(C2)OCCO3)C1	160666478	ONWWTQYDSGWBIT-UHFFFAOYSA-N	225.332	2.016	70	20	BEID	
C[C@@H](NC[C@@]1(C)CCCO1)c1cscn1	161222027	NWNOOQGDQISKKF-MWLCHTKSSA-N	226.345	2.363	70	20	BEID	
C[C@@H](NC[C@@H]1CCCCO1)c1cscn1	161171621	YJUJIOGTQFYETN-ZJUUUORDSA-N	226.345	2.363	70	20	BEID	
CC[C@@H](C)c1cc(C(=O)NCC2CC2)on1	159646199	RLFUSFLIORLKAY-MRVPVSSYSA-N	222.288	2.328	70	20	BEID	
CON(C)C(=O)CCc1c[nH]c2c(C)cccc12	159577149	FICQOEKPSIZQAR-UHFFFAOYSA-N	246.310	2.429	70	20	BEID	
CC(C)OCCN(C)OCc1ccccc1	159608293	CCGRTXDGGNXTRA-UHFFFAOYSA-N	223.316	2.475	70	20	BEID	
CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	159815377	XHYWGAZXCQVLIO-DTWKUNHWSA-N	225.238	2.157	70	20	BEID	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@H](C)N)C1	161288719	ZYJWGKORXCVAQI-AVGNSLFASA-N	246.354	2.047	70	20	BEID	
CCn1c(SC)nc2ccc(F)cc2c1=O	159528026	BUOXPVUEWQIKDQ-UHFFFAOYSA-N	238.287	2.277	70	20	BEID	
CCc1nc(CN[C@H](C)C2CCCCC2)n[nH]1	160288354	PKBKYDFLWBUUSY-SNVBAGLBSA-N	236.363	2.426	70	20	BEID	
CCC[C@@H](C)C(=O)N(C)Cc1cccn1C	160838775	VPFUEJLIVYINJR-LLVKDONJSA-N	222.332	2.420	70	20	BEID	
O=S(=O)(Cl)CCOC1CCCCCC1	112155657	RSJQWFYKUIGZNJ-UHFFFAOYSA-N	240.752	2.294	70	20	BEID	
O=C(Nc1cc(F)ccc1O)[C@@H]1CCCCO1	160008604	AHZROLAYFXXRCA-NSHDSACASA-N	239.246	2.039	70	20	BEID	
COc1cc(NC(=O)c2cn[nH]c2C)ccc1F	160502835	GJRVGQPRSHUANR-UHFFFAOYSA-N	249.245	2.118	70	20	BEID	
CCc1cc(O)nc(CN(C)CCC(C)C)n1	160936969	IHYFETAIEWIXOA-UHFFFAOYSA-N	237.347	2.223	70	20	BEID	
CCc1ncnc(N[C@H](C)CCOC)c1F	218001161	PMOGKHILKANVPQ-MRVPVSSYSA-N	227.283	2.015	70	20	BEID	
CC[C@H](CSC)NCC1CCN(C)CC1	217328554	JLYGQCILCZQCJJ-GFCCVEGCSA-N	230.421	2.059	70	20	BEID	
COC[C@@H](C)NC(=O)NCCCC(C)(C)C	160816506	VUPUTSOKDDLDEX-SNVBAGLBSA-N	230.352	2.147	70	20	BEID	
CC1(C)CCC(CN2CCC[C@@H]2C(N)=O)CC1	160336280	YJVJYXTZVVVDEV-GFCCVEGCSA-N	238.375	2.153	70	20	BEID	
Cc1ccccc1[C@@H](C)N(C)C[C@@H](C)O	159376066	YPBXWKCPFXEZMY-VXGBXAGGSA-N	207.317	2.369	70	20	BEID	
CC(C)N(Cc1cnnn1C)C1CCCCC1	159767528	VDVOMWRUUBGLAN-UHFFFAOYSA-N	236.363	2.358	70	20	BEID	
CCCOCC(=O)NCC1(CCC)CC1	160631458	SVCNIVQFIXKSPZ-UHFFFAOYSA-N	213.321	2.110	70	20	BEID	
COC[C@H](NC(=O)N[C@@H](C)CC(C)C)C1CC1	160937145	BZGJXQNOUSEBFC-JQWIXIFHSA-N	242.363	2.145	70	20	BEID	
CCCC[C@@H](N[C@@H](C)C(C)C)C(=O)OC	218057293	YQRWUJMGTKGWGQ-WDEREUQCSA-N	215.337	2.352	70	20	BEID	
CCN(Cc1ccccc1)C(=O)N[C@@H]1CCOC1	159366965	QPXYXDMOIQFPCF-CYBMUJFWSA-N	248.326	2.007	70	20	BEID	
CCN(C)C(=O)N1CCc2ccccc2CC1	160605341	QOFMEWWXZSXXES-UHFFFAOYSA-N	232.327	2.159	70	20	BEID	
Cc1nnc(N[C@@H]2CCOC(C)(C)C2)s1	160697287	YTWNQRBPTDPFFD-MRVPVSSYSA-N	227.333	2.216	70	20	BEID	
CCNCCNCc1cc(Cl)ccc1F	161287952	SQRKBOWZOFAGRZ-UHFFFAOYSA-N	230.714	2.178	70	20	BEID	
CC(C)OCC(C)(C)CS(=O)(=O)Cl	114433396	NHWNDUKJYAXEGR-UHFFFAOYSA-N	228.741	2.006	70	20	BEID	
CCCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159655028	KEARYIPJLNMBPK-STQMWFEESA-N	238.375	2.167	70	20	BEID	
CCCC[C@@H](C(=O)OC)N(C)CC1CCC1	160799627	BUXTYNXHHGFDAN-LBPRGKRZSA-N	227.348	2.450	70	20	BEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N(C)Cc1ccco1	160835408	AFJAADFTDJMVLC-ZWNOBZJWSA-N	249.310	2.243	70	20	BEID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCNC1	161231250	MNFQUWHMFZXMGW-NWDGAFQWSA-N	240.391	2.317	70	20	BEID	
C1CCC(N[C@@H]2CCN3CCCC[C@@H]23)C1	217647392	UUCHMYHNJBPUCU-OLZOCXBDSA-N	208.349	2.145	70	20	BEID	
C[C@H]1C[C@H]1CNCc1cc(O)cc(F)c1	159615022	LITRFSQJZWOCAO-WPRPVWTQSA-N	209.264	2.277	70	20	BEID	
C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCC[C@H](N)C2)C1	160799644	GSAXOZYQIGFUCI-MROQNXINSA-N	238.375	2.199	70	20	BEID	
Cn1cnnc1CN1CCC[C@H]1C1CCCCC1	160813396	CLJGOGUJSKTCQT-ZDUSSCGKSA-N	248.374	2.360	70	20	BEID	
C[C@](O)(CN[C@H]1CCSC1)c1ccsc1	159894183	ACDSZGAIAKKONP-QWRGUYRKSA-N	243.397	2.051	70	20	BEID	
COCC[C@H](C)N[C@@H](C)c1cscn1	161181201	BBQLAXCODXENAE-IUCAKERBSA-N	214.334	2.219	70	20	BEID	
CC(C)CCOCCCCS(=O)(=O)Cl	114257653	NAGPLCOIGPWKIP-UHFFFAOYSA-N	242.768	2.398	70	20	BEID	
C[C@H]1C[C@H](S(=O)(=O)Cl)CC[C@H]1C	113252158	HWBPUZMKZJECMK-GJMOJQLCSA-N	210.726	2.380	70	20	BEID	
CC(C)C[C@H]1CCCCCN1C(=O)CCN	161297493	MIDCLLZSURRSKV-GFCCVEGCSA-N	226.364	2.153	70	20	BEID	
C[C@@H](CCC(C)(C)C)NC(=O)C[C@@H]1CCCN1	159773717	RYUOCXPXTWVVEW-RYUDHWBXSA-N	240.391	2.460	70	20	BEID	
CS[C@H](C)CNC(=O)N[C@H]1C=CCCC1	160273679	JLSKGVFYFFQINR-ZJUUUORDSA-N	228.361	2.146	70	20	BEID	
Cc1cc(C)nc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160341705	PQFNZDHMSPCULR-QWHCGFSZSA-N	247.342	2.463	70	20	BEID	
Cc1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)oc1C	160638680	HKVYYVYTTCPUBC-UWVGGRQHSA-N	237.299	2.146	70	20	BEID	
Cc1cc(NC(=O)c2ncccc2O)ccc1O	160681686	PQEYVKSXIKSBMM-UHFFFAOYSA-N	244.250	2.054	70	20	BEID	
Cc1cc(C)n(CCCNc2nccs2)n1	218423755	UVIHSZRPOCTRIH-UHFFFAOYSA-N	236.344	2.459	70	20	BEID	
Cc1ccsc1CS(=O)(=O)Cl	156120017	ZVQNZZRYTNVQOH-UHFFFAOYSA-N	210.707	2.125	70	20	BEID	
C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCNC1	161231350	MNFQUWHMFZXMGW-VXGBXAGGSA-N	240.391	2.317	70	20	BEID	
CCOC(=O)CCN(C)[C@H]1CCC[C@@H](C)C1	217934085	HFXBGDQQGLAQGM-NEPJUHHUSA-N	227.348	2.450	70	20	BEID	
CC(C)NCCC(=O)N1CCCC[C@H]1C(C)C	160424225	FPNFSZMEQCGHMI-ZDUSSCGKSA-N	240.391	2.412	70	20	BEID	
CCCC1(CNC(=O)c2cccnc2OC)CC1	160453496	MTCYFRIYPRLDIN-UHFFFAOYSA-N	248.326	2.400	70	20	BEID	
C[C@H](N[C@H](C)[C@@H]1CCCO1)c1cscn1	161155175	WQWOEWQMCUONAP-NGZCFLSTSA-N	226.345	2.361	70	20	BEID	
CCNCCNCc1ccc(C)cc1C	161313167	IJOMXTSUKOVBKG-UHFFFAOYSA-N	206.333	2.003	70	20	BEID	
C[C@@H](NC(=O)OCC(F)(F)F)C1CCC1	159968949	MXBVBWRWQCASCW-ZCFIWIBFSA-N	225.210	2.464	70	20	BEID	
CCONC(=O)NCc1ccc(Cl)c(C)c1	159564739	CXHXFOQHKVEFNQ-UHFFFAOYSA-N	242.706	2.399	70	20	BEID	
CCCN(CC1CC1)C(=O)[C@H]1CCCCO1	160680879	BIGADXQCRYEYQH-GFCCVEGCSA-N	225.332	2.204	70	20	BEID	
C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CCCCO1	161134838	CUZQJEIAPILILG-JQWIXIFHSA-N	237.299	2.368	70	20	BEID	
C[C@H](N[C@@H]1CCN2CCCC[C@@H]12)C1CC1	217681282	ZVXUCGIRBGLCHD-UHTWSYAYSA-N	208.349	2.001	70	20	BEID	
CNC(=O)Cc1c[nH]c2ccc(Cl)cc12	159409029	KUJOAUXIMBWTAL-UHFFFAOYSA-N	222.675	2.110	70	20	BEID	
C[C@H]1C[C@]1(N)c1ccc(OC(F)F)cc1	161003517	WMEUFUXXKZHCKI-WRWORJQWSA-N	213.227	2.482	70	20	BEID	
COc1ccc(NC(=O)C=C2CCC2)cc1N	161083334	OLWOFSKBCFHTIB-UHFFFAOYSA-N	232.283	2.326	70	20	BEID	
Cc1ncoc1C(=O)Nc1ccc(O)cc1F	159477098	KKTDZPYGHFAKRZ-UHFFFAOYSA-N	236.202	2.080	70	20	BEID	
Cc1ccc(-c2nnc(NC(=O)CC3CC3)[nH]2)o1	160338413	SDZWFIDPOQJITB-UHFFFAOYSA-N	246.270	2.112	70	20	BEID	
CCCC[C@@H](Sc1ncccn1)C(=O)OC	160593324	OCDBCPNSKQMRHQ-SECBINFHSA-N	240.328	2.301	70	20	BEID	
CCCC1(CNC(=O)CN(C)C(C)C)CC1	160755890	SIXRNYOIJMNGSS-UHFFFAOYSA-N	226.364	2.023	70	20	BEID	
CC(C)NC(=O)CN[C@@H]1c2ccccc2C[C@H]1C	160937738	JILVBKKDPVNSRR-ABAIWWIYSA-N	246.354	2.034	70	20	BEID	
CCCCS[C@@H](C)C(=O)NC[C@H](C)CCO	161015963	JWMGKWXSFSRXQO-MNOVXSKESA-N	247.404	2.043	70	20	BEID	
CC[C@@H]1CCCC[C@@H]1NCc1nnnn1C1CC1	161429852	AFPBHBSQWAHLCQ-PWSUYJOCSA-N	249.362	2.066	70	20	BEID	
CCc1ncnc(S[C@H](C)[C@@H](C)O)c1F	218049048	XHUVUOAYPBTHTK-RNFRBKRXSA-N	230.308	2.040	70	20	BEID	
c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1	160410162	QLPXFSRXOQBGSU-NEPJUHHUSA-N	218.300	2.451	70	20	BEID	
CC(C)NC(=S)N1CC[C@@H](C)[C@@H](C)C1	160868500	QKQMZJLSRXQQGP-ZJUUUORDSA-N	214.378	2.247	70	20	BEID	
O=C(N[C@@H]1CCCc2occc21)[C@@H]1CCCCO1	161464033	SBKXTSCVLFULHF-YPMHNXCESA-N	249.310	2.342	70	20	BEID	
Cc1cc(C(=O)Nc2c(C)n[nH]c2C)oc1C	159959838	IUCUIFAPPTVQJH-UHFFFAOYSA-N	233.271	2.489	70	20	BEID	
Cc1cc(C)nc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160341297	PQFNZDHMSPCULR-OLZOCXBDSA-N	247.342	2.463	70	20	BEID	
C[C@H](c1ccccc1)S(=O)(=O)Cl	80546004	QONVWLTTWDJSHM-SSDOTTSWSA-N	204.678	2.316	70	20	BEID	
CC[C@@H](CSC)NCc1ncc(Cl)n1C	217329691	BXWJHXPKYOFYRU-QMMMGPOBSA-N	247.795	2.305	70	20	BEID	
CC(C)CC[C@@H](NC(=O)[C@H](C)N)C(C)(C)C	160071270	XCEGSDJPJSEMHF-WDEREUQCSA-N	228.380	2.301	70	20	BEID	
CSC[C@@H](C)NCc1cc(O)cc(F)c1	159617090	LUORFMOHWJKCQQ-MRVPVSSYSA-N	229.320	2.372	70	20	BEID	
C[C@H](NCCO)c1cccc(-c2ccncc2)c1	159723812	LOZHGMIIFSFNBA-LBPRGKRZSA-N	242.322	2.392	70	20	BEID	
Cc1ncccc1NC(=O)[C@H]1CC1(C)C	159574427	AVOWWGAESBUHTO-SECBINFHSA-N	204.273	2.375	70	20	BEID	
CC1=CCN(C(=O)c2cc(C)ccc2O)CC1	160228146	ACPLWXQUNJPKON-UHFFFAOYSA-N	231.295	2.493	70	20	BEID	
CC(C)CC(=O)NC[C@H]1CCCN1CC(C)C	160606851	IOFIBEYCLNVHJA-CYBMUJFWSA-N	240.391	2.269	70	20	BEID	
C[C@@H]1CN(C(=O)NC2CCC2)CC[C@H]1C	160864949	UASWLAOZZBOFFO-NXEZZACHSA-N	210.321	2.226	70	20	BEID	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@H]1C1CC1	161012147	TUUWZYPYVCNVTJ-STQMWFEESA-N	232.327	2.030	70	20	BEID	
CCOCC(=O)N(C)[C@@H]1CCCC[C@H]1CC	161091279	DWZFCGPPSAYPQB-VXGBXAGGSA-N	227.348	2.450	70	20	BEID	
CC[C@H](C)N(C)CCNc1nccnc1Cl	218775046	YQUZWRZGZSEPMK-VIFPVBQESA-N	242.754	2.272	70	20	BEID	
C[C@H](NC(=O)C(F)F)c1cccs1	217641642	SYTGGQIANBCGIW-YFKPBYRVSA-N	205.229	2.190	70	20	BEID	
COC(CN1CCc2ccccc2[C@@H]1C)OC	160999784	MZUQXKASGSQAJR-NSHDSACASA-N	235.327	2.225	70	20	BEID	
O=C(OCc1ccccc1)[C@H]1CCCCO1	159406739	WUMMYIJNLDSKPL-GFCCVEGCSA-N	220.268	2.299	70	20	BEID	
CCCCCOc1cccc(CC(N)=O)c1	159644231	YXNSAGSWSUHFJJ-UHFFFAOYSA-N	221.300	2.283	70	20	BEID	
CC(C)C[C@H](C)NC(=O)NC[C@@]1(C)CCCO1	160058355	ZFKYMJUCHFPWRY-WCQYABFASA-N	242.363	2.289	70	20	BEID	
CC[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160203685	SKKBEOLTSBOQBG-ZETCQYMHSA-N	248.286	2.358	70	20	BEID	
Cc1cnc(N[C@H]2CCO[C@H](C3CC3)C2)nc1	160336645	XZYYBECDJNFTJW-RYUDHWBXSA-N	233.315	2.155	70	20	BEID	
CC[C@H](N)C(=O)N[C@@H](C)c1cccc(C)c1C	160834905	MFPHHCGMEVFVPJ-AAEUAGOBSA-N	234.343	2.218	70	20	BEID	
CC(C)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159382002	XIKATOATRACGSQ-LLVKDONJSA-N	225.332	2.250	70	20	BEID	
CCCC[C@H](CC)CC(=O)N(C)[C@H](C)CO	160479565	IFEKUNXPVYAVIF-NEPJUHHUSA-N	229.364	2.432	70	20	BEID	
C[C@H]1C[C@H](C)N(Cc2cccc(N)c2)C1	160517873	FGHFUURMSVFHRF-QWRGUYRKSA-N	204.317	2.499	70	20	BEID	
C[Si](C)(C)c1ccc(S(=O)(=O)Cl)cc1	199113145	OJSGJEVOMRKWIE-UHFFFAOYSA-N	248.807	2.159	70	20	BEID	
CCc1ncnc(S[C@H](C)[C@H](C)O)c1F	218049205	XHUVUOAYPBTHTK-NKWVEPMBSA-N	230.308	2.040	70	20	BEID	
CCOCC(CC)(CC)CS(=O)(=O)Cl	114433534	WAMRELVSSNZQJQ-UHFFFAOYSA-N	242.768	2.398	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnn(CC)c1	159750714	XZLOGDALHNDDBN-PWSUYJOCSA-N	235.331	2.212	70	20	BEID	
CCCNC(=S)N[C@@H](C)C1CCC1	160037253	BWBIFSYVBYEQSZ-QMMMGPOBSA-N	200.351	2.049	70	20	BEID	
COc1cc(NCc2nonc2C)ccc1F	160245624	AQUGAQAYILJUHJ-UHFFFAOYSA-N	237.234	2.138	70	20	BEID	
CCCCN(CC)Cc1nc(O)cc(CC)n1	160765456	NHZPWONSEYJPDP-UHFFFAOYSA-N	237.347	2.367	70	20	BEID	
O=[S@](Cc1nccs1)c1ccccc1	160627674	FAUZUDHRTUZRRK-AWEZNQCLSA-N	223.322	2.451	70	20	BEID	
CCc1ccc([C@H](C)NCC(C)(C)O)o1	160659963	GHLMGAAMQZISMJ-VIFPVBQESA-N	211.305	2.264	70	20	BEID	
CCc1ncnc(NC[C@]2(C)CCCO2)c1F	218064920	KKBAQNVUVGFPDJ-LBPRGKRZSA-N	239.294	2.159	70	20	BEID	
COc1cc(C)nc(NCc2ccc(C)nc2)n1	161090639	DPQLHTCWABFDCI-UHFFFAOYSA-N	244.298	2.109	70	20	BEID	
Cc1cccc([C@H](C)C(=O)N2CCC[C@@H]2CN)c1	160149289	GKPVHOMTKCDSHN-GXTWGEPZSA-N	246.354	2.048	70	20	BEID	
O=C(C=C1CCC1)N1CCC(NCC2CC2)CC1	159766113	MFLPNZRVBNTGNK-UHFFFAOYSA-N	248.370	2.087	70	20	BEID	
CCC(C)(C)OC[C@@H](C)CS(=O)(=O)Cl	112159657	QQFIFNHGJFSPDK-MRVPVSSYSA-N	242.768	2.396	70	20	BEID	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCCN	160907842	WJDKTSQJFJUBQJ-TZMCWYRMSA-N	246.354	2.130	70	20	BEID	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@@H]1C1CC1	161011888	TUUWZYPYVCNVTJ-OLZOCXBDSA-N	232.327	2.030	70	20	BEID	
CC[C@H](C)[C@H](C)NC(=O)/C=C/c1cnn(C)c1C	161058530	NWXPYRNKVBXWKP-IJUHFESZSA-N	249.358	2.293	70	20	BEID	
CCCc1nsc(N[C@H](CC)CCO)n1	217997270	QYNNVBZWEYRKSU-MRVPVSSYSA-N	229.349	2.064	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCc2ccccc21	104847501	XVVQRMVKIXOUDN-SECBINFHSA-N	216.689	2.243	70	20	BEID	
Cc1cc(C(=O)N2CCOCC2(C)C)oc1C	159444368	QTPROMCCRQIHEU-UHFFFAOYSA-N	237.299	2.147	70	20	BEID	
CN(Cc1cc(O)cc(F)c1)CC(F)F	159852637	VYJUVNFUVWVIFW-UHFFFAOYSA-N	219.206	2.228	70	20	BEID	
CN(CCCN1CCCCC1)CC(F)(F)F	161077215	MPINXDSIHSDQRW-UHFFFAOYSA-N	238.297	2.357	70	20	BEID	
CC[C@H](COC)N[C@H](C)c1cscn1	161206786	GBOSCALCVYZZHM-RKDXNWHRSA-N	214.334	2.219	70	20	BEID	
CC[C@H](C)C(=O)N(C)[C@H](CO)Cc1ccccc1	216912420	RETUYCNEVMHJNG-JSGCOSHPSA-N	249.354	2.095	70	20	BEID	
C[C@@H](CCO)CNC(=O)C[C@@H](C)c1ccccc1	161079555	ZABKGMVUFLCGKP-QWHCGFSZSA-N	249.354	2.315	70	20	BEID	
CCNCCNCc1cc(C)cc(C)c1	161312737	KSPINNAMTSTTDE-UHFFFAOYSA-N	206.333	2.003	70	20	BEID	
C[C@@H]1CCC[C@@H](CNC2(CO)CCC2)C1	161250577	PTEXGYCDUADCRI-VXGBXAGGSA-N	211.349	2.317	70	20	BEID	
Cc1cccc(C(C)(C)NC(=O)CCCN)c1	161162821	SHRGKUZKDLLMNX-UHFFFAOYSA-N	234.343	2.085	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(C(N)=O)c1	159773369	BPSAPRZOIDISKA-SMDDNHRTSA-N	246.310	2.160	70	20	BEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)C1CCC1	159383734	WEWIUWRILMKARE-GFCCVEGCSA-N	237.343	2.395	70	20	BEID	
Cc1cc(C[C@@H](C)NC(=O)C2CCCCC2)n[nH]1	161332307	UJRRGVHNZXQOPA-SNVBAGLBSA-N	249.358	2.346	70	20	BEID	
CCOc1cc(NCC(C)(C)OCC)ncn1	159550049	ODPNSBGXASQPLR-UHFFFAOYSA-N	239.319	2.102	70	20	BEID	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H](C)N)C1	161288851	ZYJWGKORXCVAQI-FRRDWIJNSA-N	246.354	2.047	70	20	BEID	
CC(C)C[C@H](C)NC(=O)CC1CCN(C)CC1	216973371	QBUTZAUKCSPMNC-LBPRGKRZSA-N	240.391	2.269	70	20	BEID	
CCc1ncnc(NCCc2ccncc2)c1F	218071474	SBMCHHCODYDPQK-UHFFFAOYSA-N	246.289	2.228	70	20	BEID	
C[C@@H]1CC[C@@H](S(=O)(=O)Cl)[C@H](C)C1	113260896	XCTIARNRCCQAQE-BWZBUEFSSA-N	210.726	2.380	70	20	BEID	
Cc1ccc(CN(C)CC2=CCCOC2)o1	160870290	YXXUADSPXTWDGN-UHFFFAOYSA-N	221.300	2.367	70	20	BEID	
CCCCNC(=S)N(C)[C@H]1CCSC1	160043900	KEVIYMQVRYKNBM-VIFPVBQESA-N	232.418	2.098	70	20	BEID	
CC(C)C[C@@H](C)NC(=O)NC[C@]1(C)CCCO1	160057964	ZFKYMJUCHFPWRY-YPMHNXCESA-N	242.363	2.289	70	20	BEID	
COC(=O)[C@H](NC1CC=CC1)c1ccc(F)cc1	160899671	GQPYZRCTSLMVLJ-CYBMUJFWSA-N	249.285	2.348	70	20	BEID	
CCO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1CC	159808685	HRCDNURPHYUWRK-GMTAPVOTSA-N	213.321	2.106	70	20	BEID	
CCc1ccccc1C(=O)N[C@H](C)COC	160650947	MGXOOUDBARZNSZ-SNVBAGLBSA-N	221.300	2.014	70	20	BEID	
C[C@@H](CO)SCCc1cccs1	160700907	NVRKWBBDGAYYFL-QMMMGPOBSA-N	202.344	2.405	70	20	BEID	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCCO2)C1	160933621	HAMBAPKXVCOLLK-UTUOFQBUSA-N	225.332	2.060	70	20	BEID	
CC(C)[C@@H](C)NC(=O)N[C@@H](CCO)C(C)(C)C	161187245	FTVCGNITLYYGJO-MNOVXSKESA-N	244.379	2.127	70	20	BEID	
CCC[C@H](N)C(=O)N[C@H](C)CCC(C)(C)C	161231007	QHHNRYFLDKSPPM-MNOVXSKESA-N	228.380	2.445	70	20	BEID	
C1COCC[C@@H](NCC2CCSCC2)C1	161444699	AFKSLZCDLBIYRH-LBPRGKRZSA-N	229.389	2.288	70	20	BEID	
CCOC(C)(C)CNc1ncnc2c1CCC2	159534383	PNSGUIIHLSBITJ-UHFFFAOYSA-N	235.331	2.192	70	20	BEID	
CC1=CCN(C(=O)c2ccc3[nH]cnc3c2)CC1	160230114	OHEFAJQWYDPZRN-UHFFFAOYSA-N	241.294	2.355	70	20	BEID	
C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H](N)C2)C1	161339467	BKJSHWDZZJGQKF-MROQNXINSA-N	238.375	2.199	70	20	BEID	
O=S(=O)(Cl)C1C2CC3CC(C2)CC1C3	104532850	OVMVKXVATAKPJN-UHFFFAOYSA-N	234.748	2.380	70	20	BEID	
CC(C)C1CCC(NC(=O)[C@H]2CCCN2)CC1	159386764	XZHAPQGPRQEIHU-WXRRBKDZSA-N	238.375	2.069	70	20	BEID	
CN(c1ccc(S(C)(=O)=O)cc1)C1CCC1	159410920	XRFRJLLRURXKPG-UHFFFAOYSA-N	239.340	2.079	70	20	BEID	
COC(CN1CC[C@@H](c2ccccc2)[C@H]1C)OC	161486548	VJWSJLKWJLBTEK-TZMCWYRMSA-N	249.354	2.483	70	20	BEID	
C[C@H]1C[C@@H]1CNCc1cc(O)cc(F)c1	159614728	LITRFSQJZWOCAO-WCBMZHEXSA-N	209.264	2.277	70	20	BEID	
CCOC(C)(C)CNC(=O)OCC(F)(F)F	159782799	ZMCAFHWPCLHNKH-UHFFFAOYSA-N	243.225	2.090	70	20	BEID	
C[C@@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)C1CC1	161265971	ITMMGYAIAIRWQI-MWLCHTKSSA-N	240.347	2.042	70	20	BEID	
Clc1ccc(CCNCc2ncc[nH]2)s1	218241741	SLLCNSBVTJBYRZ-UHFFFAOYSA-N	241.747	2.457	70	20	BEID	
O=C(NCC1(C2CC2)CC1)c1ccncc1	160079826	MEMMJWASBLUFHF-UHFFFAOYSA-N	216.284	2.002	70	20	BEID	
CCC(CC)N[C@H]1CCN2CCCC[C@@H]12	217680343	CHGDKWVCPMPNOV-STQMWFEESA-N	210.365	2.391	70	20	BEID	
CC[C@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1	161156848	JDAPHINFOUZABJ-JSGCOSHPSA-N	248.370	2.122	70	20	BEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)C1CC1	160956189	BVJBEPVBOZJGHG-QMMMGPOBSA-N	237.324	2.236	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccnc(C)n1	159849867	SMYFFTMVCIRWJG-WDEREUQCSA-N	233.315	2.094	70	20	BEID	
CC(C)CNC(=S)NC1(C)CCC1	159967036	SYQOKPWAKPWLFC-UHFFFAOYSA-N	200.351	2.049	70	20	BEID	
COc1cc(C)cc(S(=O)(=O)Cl)c1C	229552153	FBPRZMKASYDDKD-UHFFFAOYSA-N	234.704	2.240	70	20	BEID	
O=C(NC1CC1)N1CC=C(C(F)(F)F)CC1	160236470	SVRVKSZZLNKUDR-UHFFFAOYSA-N	234.221	2.053	70	20	BEID	
CCC[C@@H](C)C(=O)N1CCCN(CCC)CC1	160386863	LLJIXKGCQIETKE-CYBMUJFWSA-N	240.391	2.367	70	20	BEID	
CC[C@@H](C)NC(=O)NCCc1cccc(O)c1	160989414	VQBZNSSQWSGBDJ-SNVBAGLBSA-N	236.315	2.032	70	20	BEID	
CCOC(=O)Cc1sc(NC(C)C)nc1C	218217143	CFCJFOXBTKMMFR-UHFFFAOYSA-N	242.344	2.377	70	20	BEID	
Cc1noc(C)c1CC(=O)N1[C@H]2C=CC[C@H]1CC2	218731201	AKPMBSRFNGGVCH-RYUDHWBXSA-N	246.310	2.153	70	20	BEID	
CCCN(Cc1ccccc1)Cc1nncn1C	160686272	IZLWZIRJLGLJJC-UHFFFAOYSA-N	244.342	2.227	70	20	BEID	
CC[C@H](C)N(C)CCN[C@@H](C)CC1CC1	160119548	AWFBXDRQPJOYGL-RYUDHWBXSA-N	212.381	2.495	70	20	BEID	
C[C@H](Cc1cccc(F)c1)S(=O)(=O)Cl	162656296	MMMKGXSNNUAIQP-SSDOTTSWSA-N	236.695	2.325	70	20	BEID	
CCOCCN(C)c1nc(C(C)(C)C)ns1	160259293	PHTYRPSXYPBZAG-UHFFFAOYSA-N	243.376	2.308	70	20	BEID	
CC(C)N(Cc1nncn1C)c1ccccc1	160831713	MXVZQZVCOUNVKT-UHFFFAOYSA-N	230.315	2.230	70	20	BEID	
CCCn1c(C)nnc1CN1C[C@@H]2CCC[C@H]2C1	161024542	PLRAJGDMLYKIQW-STQMWFEESA-N	248.374	2.228	70	20	BEID	
OCCCC1CCN(CC(F)(F)F)CC1	218357826	LVTJCDBLZTXUGN-UHFFFAOYSA-N	225.254	2.033	70	20	BEID	
CC(C)N(C)C(=O)[C@@H](C)Sc1ccncc1	159952227	QYZMPDKTYOVCQI-SNVBAGLBSA-N	238.356	2.429	70	20	BEID	
CC(C)C[C@@H](C)NC(=O)NC1CC=CC1	160355648	IQRVOQLYMRCPNJ-SNVBAGLBSA-N	210.321	2.439	70	20	BEID	
CCCC1(CNC(=O)[C@H](CC)OCC)CC1	160747886	LNDNBAWNCVVRII-NSHDSACASA-N	227.348	2.498	70	20	BEID	
CCC(CC)NC(=O)N[C@H]1CCOC(C)(C)C1	161238299	PUOSUHXSLJBGAI-NSHDSACASA-N	242.363	2.432	70	20	BEID	
Cc1cc(C[C@H](C)NC(=O)CC2CCCC2)n[nH]1	161462416	OBDKMHODPLOMLF-JTQLQIEISA-N	249.358	2.346	70	20	BEID	
Cc1ccc(Cl)c(S(=O)(=O)Cl)c1O	217085129	DDOZZHPVXAERFF-UHFFFAOYSA-N	241.095	2.282	70	20	BEID	
Cn1cnnc1CSc1nc2ccccc2o1	160942202	XGYKOUWKZCGBFG-UHFFFAOYSA-N	246.295	2.249	70	20	BEID	
Cc1ccc(C(=O)N(C)Cc2cccn2C)cn1	160959493	KNRZQZSTGSWFQT-UHFFFAOYSA-N	243.310	2.001	70	20	BEID	
CN(Cc1nccn1C)c1ccnc(Cl)c1	217961080	NBYFYQLZRHYMAF-UHFFFAOYSA-N	236.706	2.105	70	20	BEID	
COC(=O)NC[C@H](OC)c1ccccc1Cl	218310615	DAKDOVBGWKCKKW-JTQLQIEISA-N	243.690	2.384	70	20	BEID	
CCc1nnc(CN(C)OCc2ccccc2)o1	159604026	CFRZIMDJNRISBH-UHFFFAOYSA-N	247.298	2.196	70	20	BEID	
CC(C)c1ccccc1NC(=O)NC1(CO)CC1	159875443	ICMDWEHVPSEUNU-UHFFFAOYSA-N	248.326	2.456	70	20	BEID	
CCN(C)C(=O)N(C)Cc1ccc(OC)cc1	160387644	IHAKQMBCZIEPAA-UHFFFAOYSA-N	236.315	2.199	70	20	BEID	
CCCCc1noc(CS[C@H](C)CO)n1	160781205	ISZBKEWNRWDGFK-MRVPVSSYSA-N	230.333	2.026	70	20	BEID	
CN(c1nc(C(C)(C)C)ns1)[C@@H]1CCOC1	159376722	VLANEJVDCJGIMI-MRVPVSSYSA-N	241.360	2.061	70	20	BEID	
CC1(C)CCC(C(=O)N2CCC(O)CC2)CC1	159830562	UFQRLLQSTPYFPT-UHFFFAOYSA-N	239.359	2.186	70	20	BEID	
Cc1cc(C)nc(NCCC2CCN(C)CC2)n1	160766387	PKDWJVBIKJZZEQ-UHFFFAOYSA-N	248.374	2.237	70	20	BEID	
CCCCN1CCN(c2ccncc2)CC1	161285574	VXXWDAXACRJZSL-UHFFFAOYSA-N	219.332	2.004	70	20	BEID	
CCC[C@@](C)(F)CS(=O)(=O)Cl	1537959019	UISYICXNAKAXFH-ZCFIWIBFSA-N	202.678	2.083	70	20	BEID	
CCCn1c(C)nnc1CN1CC[C@H](CC)C1	160941945	ABOUCLSILMEQHW-LBPRGKRZSA-N	236.363	2.228	70	20	BEID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC1CC1	160559235	CVHIYLCEMXJTEC-QWRGUYRKSA-N	226.364	2.022	70	20	BEID	
C[C@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C	161284041	DNBGBQMVPCFCBZ-IUCAKERBSA-N	225.361	2.203	70	20	BEID	
CC(C)OC[C@H](CS(=O)(=O)Cl)C(C)C	114434582	RXKUYQOOHHVWNV-SECBINFHSA-N	242.768	2.252	70	20	BEID	
CC[C@H](CSC)NCc1ncc(Cl)n1C	217329693	BXWJHXPKYOFYRU-MRVPVSSYSA-N	247.795	2.305	70	20	BEID	
CCCOCC(=O)Nc1cc(F)cc(OC)c1	161093999	VEQDOKAAPXFUFW-UHFFFAOYSA-N	241.262	2.199	70	20	BEID	
CCC(CC)c1cc(C(=O)N(C)C)on1	159814323	GQSGICWTCWTARI-UHFFFAOYSA-N	210.277	2.280	70	20	BEID	
COc1ccc([C@H](C)NCCO)c2ccccc12	159687027	TWBJVQLHVQMAGM-NSHDSACASA-N	245.322	2.491	70	20	BEID	
C[C@@H](O)CN(C)C(=O)CC1CCC(C)(C)CC1	160096133	KZUUGORLOCAQFF-LLVKDONJSA-N	241.375	2.432	70	20	BEID	
CC[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1CC	160133917	QJQDUNZRYBLJHO-KBPBESRZSA-N	246.354	2.260	70	20	BEID	
Cc1cnc(NC[C@H]2CSCCS2)nc1	160435206	UPTIXFPFLLLWLB-VIFPVBQESA-N	241.385	2.046	70	20	BEID	
CC(C)OCCn1cnc2c1CCCC2	160723268	ZEPJWYAJFHYXRR-UHFFFAOYSA-N	208.305	2.187	70	20	BEID	
C[C@H]1C[C@@H](C(=O)Oc2ccccc2)CCO1	217691619	MXEUVXJHVWJMPI-QWRGUYRKSA-N	220.268	2.407	70	20	BEID	
CC1(NS(=O)(=O)c2ccccc2F)CCC1	159990424	AAYKDMNMDURHNL-UHFFFAOYSA-N	243.303	2.047	70	20	BEID	
Cc1nc(O)ccc1C(=O)N1CCCC1(C)C	161371742	BQXVCYVCWXTSGN-UHFFFAOYSA-N	234.299	2.110	70	20	BEID	
Cc1cnc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1C	160392889	YVJWOPVELRZOMD-QWHCGFSZSA-N	247.342	2.463	70	20	BEID	
CCOC(=O)[C@H](C)N(C)OCc1ccccc1	159625667	BTCKVRQCKDKZSO-NSHDSACASA-N	237.299	2.002	70	20	BEID	
CCN(C)CCNC(=O)C1CCC(C)(C)CC1	159419968	UPRASVIIOAIITF-UHFFFAOYSA-N	240.391	2.271	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)c1cccc(C)c1	160477938	GRIULAMFDGYARQ-NSHDSACASA-N	249.310	2.067	70	20	BEID	
O=S(=O)(Cl)CCOCC1CCCCC1	108304234	QYDHVGBYJITNRU-UHFFFAOYSA-N	240.752	2.152	70	20	BEID	
Cc1nc(C)c([C@H](C)S(=O)(=O)Cl)s1	111208146	RJWZUQNSUODWJR-YFKPBYRVSA-N	239.749	2.390	70	20	BEID	
CCCN(CC)C(=O)c1ccncc1F	161388430	OBMZAAXCLOHDQP-UHFFFAOYSA-N	210.252	2.093	70	20	BEID	
CO[C@@H]1CCC[C@H](C(=O)OC(C)C)C1	216938226	PJRSEMMNZMZDHB-VHSXEESVSA-N	200.278	2.143	70	20	BEID	
C[C@]1(C(=O)Nc2ccsc2)CCCCN1	159581919	NFZXZRAFUFJNNQ-LLVKDONJSA-N	224.329	2.219	70	20	BEID	
CC[C@H](N)C(=O)NCc1oc2ccccc2c1C	160818018	RPIRBVHIETVVRO-NSHDSACASA-N	246.310	2.095	70	20	BEID	
CCc1cc(O)nc(CN2CCC(CC)CC2)n1	160938739	LDSWSAOQGWVAIM-UHFFFAOYSA-N	249.358	2.367	70	20	BEID	
CCc1ncnc(N[C@H]2CC2(C)C)c1F	217986644	UHKNZSRHIKQVKK-QMMMGPOBSA-N	209.268	2.389	70	20	BEID	
CC(C)C1(O)CN(C/C=C\c2ccccc2)C1	216965066	PNYJXSNOAHHZDO-TWGQIWQCSA-N	231.339	2.403	70	20	BEID	
FC(F)(F)SCCNCc1nccs1	218121739	BGYCFLNCTJQAOH-UHFFFAOYSA-N	242.291	2.486	70	20	BEID	
Cc1cc(Cn2cnc3ccccc32)on1	160910355	UZWOQJXSLAAQPG-UHFFFAOYSA-N	213.240	2.381	70	20	BEID	
CN(Cc1cccn1C)C(=O)c1ccsc1	160443992	AELXEGNAFSBEEA-UHFFFAOYSA-N	234.324	2.359	70	20	BEID	
CC(C)C[C@@H](C)NC(=S)NC(C)C	159573342	HIBZIBOPZWFNFF-SECBINFHSA-N	202.367	2.294	70	20	BEID	
Cn1nccc1CSCc1ccco1	161193607	UPNLFLXRZHBGAO-UHFFFAOYSA-N	208.286	2.447	70	20	BEID	
Cc1ccc(CN(C)C(=O)C(F)F)cc1	217596969	JUIHMBQLXXALMY-UHFFFAOYSA-N	213.227	2.219	70	20	BEID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCCN)C2	218476952	NHFJLLLETZSCMK-GVXVVHGQSA-N	210.365	2.140	70	20	BEID	
CCc1ncc(NC(=O)N2CCC[C@@H]2C)cn1	161147280	PXWIQWPDWYEYNE-VIFPVBQESA-N	234.303	2.055	70	20	BEID	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H](C)N)C1	161288571	ZYJWGKORXCVAQI-RWMBFGLXSA-N	246.354	2.047	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccnc(OC)c1	160832744	HXGHHGQOCWVFKQ-BXUZGUMPSA-N	248.326	2.143	70	20	BEID	
C[C@@H]1CC(NC(=O)NCCC2CC2)C[C@@H](C)O1	159535595	LNDZFHBOJMFPEC-NXEZZACHSA-N	240.347	2.042	70	20	BEID	
CCCCN(CCO)C(=O)NCC(CC)CC	160540137	PQFRWFSIIYCRAE-UHFFFAOYSA-N	244.379	2.227	70	20	BEID	
CC1=C(C(=O)N[C@@H](C)c2cccnc2)CCCO1	159643716	BGPGPERACNQDEI-JTQLQIEISA-N	246.310	2.343	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)COCC1CC1	159807859	DVBDMZVZQBCSMQ-RYUDHWBXSA-N	225.332	2.108	70	20	BEID	
Cc1nc(NC(=O)C2CC2)cc(C2CC2)n1	160165459	DIMGVFKTYYPPPD-UHFFFAOYSA-N	217.272	2.011	70	20	BEID	
Fc1cccc(NCc2nnc3n2CCCC3)c1	217317660	SVVQDLWQVKYMDV-UHFFFAOYSA-N	246.289	2.366	70	20	BEID	
COCCCOC(=O)c1cc(F)cnc1Cl	218162137	JPBDNIKYHRPTKC-UHFFFAOYSA-N	247.653	2.067	70	20	BEID	
CCc1ccc(O)c(NC(=O)[C@@H]2CCCCO2)c1	159854587	WGYRHBQKLKHBCT-ZDUSSCGKSA-N	249.310	2.462	70	20	BEID	
Cc1cnc(NCC2CCSCC2)nc1	160426537	ZTEKNXJCSJBYCU-UHFFFAOYSA-N	223.345	2.340	70	20	BEID	
COCCCCCn1cnc(C(C)C)cc1=O	160698331	AQUKPRSRONUFKL-UHFFFAOYSA-N	238.331	2.183	70	20	BEID	
CS[C@H](C)CC(=O)NCc1c(C)noc1C	161123377	QAVRKRJBHQWQLY-SSDOTTSWSA-N	242.344	2.049	70	20	BEID	
CCc1ncnc(N[C@H](C)[C@H]2CCOC2)c1F	218040986	DDOAHWOCVFIWDC-BDAKNGLRSA-N	239.294	2.015	70	20	BEID	
CCO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CC	159808568	HRCDNURPHYUWRK-VWYCJHECSA-N	213.321	2.106	70	20	BEID	
Cc1nc2n(n1)C[C@H](N[C@H](C)C1CCCC1)CC2	160535981	QWJNMKXZFDEWMH-ZWNOBZJWSA-N	248.374	2.070	70	20	BEID	
COCCOCCCCNc1ccc(F)cn1	159391550	FCCUZTQNACMKMN-UHFFFAOYSA-N	242.294	2.076	70	20	BEID	
CC(C)CN1CCC[C@@H]1CNC(=O)C1CCC1	160514479	RVNDWMIFEKPFSM-CYBMUJFWSA-N	238.375	2.023	70	20	BEID	
Cc1ccc([S@](=O)Cc2nccs2)nc1	160659791	DYYHXOYIGNGISU-HNNXBMFYSA-N	238.337	2.154	70	20	BEID	
COC(=O)c1ccccc1N(C)CCCF	161074774	LDQLFOVLMIDZBK-UHFFFAOYSA-N	225.263	2.269	70	20	BEID	
C[C@H](CSC(C)(C)C)NCC(C)(C)O	160617419	XIQNOSBEYAIFNU-SECBINFHSA-N	219.394	2.267	70	20	BEID	
CCc1nnc(NC(=O)C[C@H](C)SC)s1	160745768	PSSPDHMOLWSXFA-LURJTMIESA-N	245.373	2.181	70	20	BEID	
CN1CCC[C@H](CN(C)C2CCCC2)C1	161321118	OWAMQNRFBQNQKB-LBPRGKRZSA-N	210.365	2.203	70	20	BEID	
CCCNCCNCc1ccc(CC)s1	161341339	KWRMXWUJLXSLFD-UHFFFAOYSA-N	226.389	2.400	70	20	BEID	
CC[C@H]1CCCC[C@@H]1NCCCNC(C)=O	161409741	FQEMLBQJJYINHU-STQMWFEESA-N	226.364	2.071	70	20	BEID	
CC(C)(C)CCC(=O)N[C@@H]1CCC[C@@H](N)C1	161454957	KVSILEKEQCTIHE-GHMZBOCLSA-N	226.364	2.199	70	20	BEID	
CC(C)c1ccc(C(=O)N2CCOC[C@@H]2C)cn1	161231590	YQAGKFWTNPBLMY-NSHDSACASA-N	248.326	2.066	70	20	BEID	
COC(=O)C1(N(C)CC=C(C)C)CCCC1	159384328	QADGFIBZFMAADQ-UHFFFAOYSA-N	225.332	2.370	70	20	BEID	
CC[C@@H](CCO)NCc1nc(C)c(C)s1	217844822	QLGJPXZMXOMHNM-JTQLQIEISA-N	228.361	2.011	70	20	BEID	
CCSCCN(C)C1(C(=O)OC)CCCC1	159364835	UZFPNYYCFBKLKU-UHFFFAOYSA-N	245.388	2.157	70	20	BEID	
CC(C)N(C)C(=O)[C@H](C)Sc1ccncc1	159952368	QYZMPDKTYOVCQI-JTQLQIEISA-N	238.356	2.429	70	20	BEID	
COc1ccnc(N[C@H](C)C2CCC2)n1	160071698	CTKLIGXAJXRHKM-MRVPVSSYSA-N	207.277	2.086	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(OC)nc1	160808410	GGBGHJWFEBUQSF-RISCZKNCSA-N	248.326	2.143	70	20	BEID	
CCCC(O)(CCC)CC(=O)NCCSC	161137284	SMSKTYVIVPIPJV-UHFFFAOYSA-N	247.404	2.187	70	20	BEID	
CC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1	161247431	KPIJTFDMTPBHFV-SNVBAGLBSA-N	239.702	2.340	70	20	BEID	
O=C(N[C@@H]1CCCc2ccccc21)C(F)F	217630259	MUSRSWSLECQLNM-SNVBAGLBSA-N	225.238	2.445	70	20	BEID	
CC(C)NC(=S)Nc1ccc(F)c(F)c1O	218195714	XUJYJZMOJYLWEZ-UHFFFAOYSA-N	246.282	2.365	70	20	BEID	
CCC(=O)c1ccc(S(=O)(=O)Cl)s1	257573864	YISVGULVMJZNTO-UHFFFAOYSA-N	238.717	2.268	70	20	BEID	
C[C@H]1CCCC[C@@H]1OCCS(=O)(=O)Cl	112155165	BBSAUENVZIJLSN-IUCAKERBSA-N	240.752	2.150	70	20	BEID	
CS[C@H](C)CNCc1cc(O)cc(F)c1	159616127	QXGLYTUCXCFBTN-MRVPVSSYSA-N	229.320	2.372	70	20	BEID	
COC[C@H](C)NC(=O)NCCCC(C)(C)C	160816418	VUPUTSOKDDLDEX-JTQLQIEISA-N	230.352	2.147	70	20	BEID	
C[C@H]1[C@H](C)CCC[C@H]1S(=O)(=O)Cl	252180524	PYBCZNMLRBRLMA-GJMOJQLCSA-N	210.726	2.380	70	20	BEID	
CCCOC[C@@H](CC)CS(=O)(=O)Cl	114433415	YZSKRWBWCZZRTK-MRVPVSSYSA-N	228.741	2.008	70	20	BEID	
CS[C@H](C)CC(=O)N1C[C@@H](C)OC(C)(C)C1	161230147	PPHGULOWYPPHMZ-NXEZZACHSA-N	245.388	2.154	70	20	BEID	
Fc1c(F)c(F)c([B-](F)(F)F)c(F)c1F	196005323	UDXDOJOXEXMJSP-UHFFFAOYSA-N	234.862	2.437	70	20	BEID	
CCCCNC(=S)NC[C@H](C)SC	159577881	BDNIUWUCLBDKNM-QMMMGPOBSA-N	220.407	2.002	70	20	BEID	
CNc1ccc(C(=O)N[C@@H]2CCC(C)(C)C2)cn1	159741044	YEHYUKWCFORILR-LLVKDONJSA-N	247.342	2.432	70	20	BEID	
CC1(C)CC(NC(=O)C2(C)CC2)CC(C)(C)N1	161032583	LEJBPHPGZCYAOK-UHFFFAOYSA-N	238.375	2.212	70	20	BEID	
CCc1nc(CN2C[C@@H](C)[C@H]3CCCC[C@@H]32)n[nH]1	161232997	YNPWIRTWCNVAQD-UTUOFQBUSA-N	248.374	2.378	70	20	BEID	
C[C@H]1C[C@@H](C)CN1Cc1ccc(CO)o1	161295962	DHHLIJIHLWKXAW-ZJUUUORDSA-N	209.289	2.002	70	20	BEID	
CCc1ncnc(N[C@H](CC)COC)c1F	218027023	LUATYXUIZZODOE-MRVPVSSYSA-N	227.283	2.015	70	20	BEID	
Cc1cccc(C)c1OCCS(=O)(=O)Cl	103977047	WEPZLKRWCPPLFB-UHFFFAOYSA-N	248.731	2.251	70	20	BEID	
O=S(=O)(Cl)CC1(c2ccccc2)CC1	156941344	MBEUDQLNJWAYSO-UHFFFAOYSA-N	230.716	2.287	70	20	BEID	
O=C(NCC1(C2CC2)CC1)[C@H]1CCCS1	159640022	SZYWOSOUWUEYSD-SNVBAGLBSA-N	225.357	2.188	70	20	BEID	
Cc1ccc(C(=O)N(C)Cc2cccn2C)o1	160752013	DMSMHBCKCIODRB-UHFFFAOYSA-N	232.283	2.199	70	20	BEID	
C[C@H]1C[C@H](C)N(C(=O)c2ccccc2O)C1	161307616	VZHCCDPAKBAXMI-UWVGGRQHSA-N	219.284	2.263	70	20	BEID	
CCN1CCC(Nc2cncc(Cl)n2)CC1	217873852	DLYZBMCNVYNJKB-UHFFFAOYSA-N	240.738	2.026	70	20	BEID	
CCCn1c(C)nnc1CN1C[C@H]2CCC[C@H]2C1	161024330	PLRAJGDMLYKIQW-BETUJISGSA-N	248.374	2.228	70	20	BEID	
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCCO1	160087068	AAYSGCHBRSLSMV-VIFPVBQESA-N	240.690	2.243	70	20	BEID	
C[C@@H](NCCO)c1cccc(-c2ccncc2)c1	159723951	LOZHGMIIFSFNBA-GFCCVEGCSA-N	242.322	2.392	70	20	BEID	
COc1ccccc1CS[C@@H](C)CO	160759706	GMLBNJQWKGASCS-VIFPVBQESA-N	212.314	2.309	70	20	BEID	
O=C(NOCc1cccnc1)C1CCCCC1	160778590	KTEJKTCWVJJDOL-UHFFFAOYSA-N	234.299	2.210	70	20	BEID	
CCCCCN1CCN(c2ccncc2)CC1	161285687	JDVDDEMPNQVWQN-UHFFFAOYSA-N	233.359	2.394	70	20	BEID	
C1CC1Cn1nc(C2CC2)nc1C1CC1	161471894	TZUWLKPQWWQUHN-UHFFFAOYSA-N	203.289	2.443	70	20	BEID	
CC(C)C[C@H]1CCCN1Cc1nccn1C	160886243	ONMVDHFXFNOSEN-GFCCVEGCSA-N	221.348	2.431	70	20	BEID	
CCCCS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]21	159780521	LIHUKILXXJPRTQ-RYUDHWBXSA-N	245.388	2.381	70	20	BEID	
CCC(CC)CNC(=O)NC[C@H](O)[C@H](C)CC	160585135	FAVYQLGMXWMISW-PWSUYJOCSA-N	244.379	2.129	70	20	BEID	
CCCCOCCCNc1nc2ccccn2n1	160367631	PXDUTYRCKCYCNW-UHFFFAOYSA-N	248.330	2.348	70	20	BEID	
CC(C)OCCNc1cc(OC(C)C)ncn1	160596283	IZACPZZLVZQUGY-UHFFFAOYSA-N	239.319	2.101	70	20	BEID	
CCCOc1ccnc(NCC(C)(C)OC)n1	160618680	WHXFPLBRFXHKGA-UHFFFAOYSA-N	239.319	2.102	70	20	BEID	
CSCCCCC(=O)N[C@@H](CO)CC(C)C	160808703	MUAOBGXWUVYAIO-LLVKDONJSA-N	247.404	2.043	70	20	BEID	
CC(C)n1cccc1C(=O)NCc1ccncc1	161336648	UGAHQNRGQBKLCL-UHFFFAOYSA-N	243.310	2.394	70	20	BEID	
NC(=O)c1cccc(CSCCCF)c1	161382566	MSJUTNZNAHJUOB-UHFFFAOYSA-N	227.304	2.378	70	20	BEID	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)s1	161420000	BRKJBLPAFQKTBV-ZJUUUORDSA-N	238.356	2.056	70	20	BEID	
Cc1ccccc1[C@@H](C)NC(=O)C(F)F	217634631	WPYGFFZCPFFTJK-MRVPVSSYSA-N	213.227	2.437	70	20	BEID	
O=C(/C=C\c1ccccc1)NCCCCCCO	218268840	LTXJFCWJBPPYSP-KHPPLWFESA-N	247.338	2.369	70	20	BEID	
CCCc1nnc(NC(=O)[C@H]2CC2(C)C)s1	160358779	RBOMQHHZWLAZQV-SSDOTTSWSA-N	239.344	2.475	70	20	BEID	
CCCN1CCCN(C(=O)CCC(C)C)CC1	160363674	NBHSUIRFBWEMGW-UHFFFAOYSA-N	240.391	2.367	70	20	BEID	
c1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccn1	159622336	LWKSHOHKIAFUOL-MCIONIFRSA-N	244.338	2.129	70	20	BEID	
CCC(CC)CC(=O)N[C@@H]1CCC[C@H](N)C1	161448515	IURRWQHZRVLHMT-NWDGAFQWSA-N	226.364	2.199	70	20	BEID	
Cn1c(SCC2CC2)nnc1-c1ccccn1	159595649	DMUNLGFRWCHCCU-UHFFFAOYSA-N	246.339	2.379	70	20	BEID	
CC[C@@H](C)OCC(=O)Nc1ccc(Cl)cn1	160072111	POEPMCPBZFCMPM-MRVPVSSYSA-N	242.706	2.489	70	20	BEID	
CCOC[C@@H](C)N[C@@H](C)c1cscn1	161186767	OCMNTTUSPKLXKG-BDAKNGLRSA-N	214.334	2.219	70	20	BEID	
CC(C)c1ccc(C(=O)N2CCOC[C@H]2C)cn1	161231461	YQAGKFWTNPBLMY-LLVKDONJSA-N	248.326	2.066	70	20	BEID	
Cc1nc(S(=O)(=O)F)c(-c2ccccc2)o1	675065116	ADQQJLXFURRJGZ-UHFFFAOYSA-N	241.243	2.308	70	20	BEID	
C[C@H](NC[C@H]1CCCOC1)c1cscn1	161160273	SBMABHBEKLGUGY-VHSXEESVSA-N	226.345	2.220	70	20	BEID	
Cc1nccc(N(CCCO)CC(C)(C)C)n1	161285165	WKCNZJKOASFBDA-UHFFFAOYSA-N	237.347	2.020	70	20	BEID	
CN(CCOCc1ccccc1)C(=O)CC1CC1	159472789	ZQWINAPOIRGSMK-UHFFFAOYSA-N	247.338	2.462	70	20	BEID	
CS[C@@H]1CCCCN(C(=O)NC(C)C)C1	161128693	MIVFONBAPGUILH-SNVBAGLBSA-N	230.377	2.322	70	20	BEID	
Cc1cc(N[C@H](CO)CC(C)(C)C)nc(C)n1	161423682	HPTAIZSYEXVYAF-NSHDSACASA-N	237.347	2.302	70	20	BEID	
CCCCCCOCCS(=O)(=O)Cl	112155356	ORMRBDZHPZDTLH-UHFFFAOYSA-N	228.741	2.152	70	20	BEID	
COc1ccccc1CS[C@H](C)CO	160759828	GMLBNJQWKGASCS-SECBINFHSA-N	212.314	2.309	70	20	BEID	
C[C@H](O)CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1	159540655	FPBDUXSXVSDNQU-UWVGGRQHSA-N	240.347	2.346	70	20	BEID	
O=S(=O)(Cl)CCCOCC1CCCC1	108314054	ROEXCKRXFBZRHP-UHFFFAOYSA-N	240.752	2.152	70	20	BEID	
CCC(C)(CC)C(=O)N1CCC[C@H]([C@H](C)O)C1	159436297	SXASGMIVVPWPFG-RYUDHWBXSA-N	241.375	2.432	70	20	BEID	
C[C@H](O)CN(C)C(=O)C[C@@H]1CCCCC1(C)C	160090695	XOEOBQAGHJMHSK-RYUDHWBXSA-N	241.375	2.432	70	20	BEID	
CC[C@H](O)CCNC(=O)N[C@@H]1CCCC[C@@H]1C	160670563	BBKBLAKBUQKCIR-SDDRHHMPSA-N	242.363	2.025	70	20	BEID	
C[C@H](NC(=O)c1cccc(F)n1)C1CCC1	160753630	SYGCITJBLDWXOD-QMMMGPOBSA-N	222.263	2.139	70	20	BEID	
O=S(=O)(Cl)c1ccc(Cl)c(O)c1F	253388116	YVLNUGDCAJTHBF-UHFFFAOYSA-N	245.058	2.112	70	20	BEID	
CC(C)N(C)CCN[C@H](C)c1cscn1	161182831	OVKVFQLKGNAMDD-SNVBAGLBSA-N	227.377	2.134	70	20	BEID	
CCCCCN1CCN(Cc2ccncc2)CC1	161139704	MKEOSLVKJVMQNB-UHFFFAOYSA-N	247.386	2.389	70	20	BEID	
Cc1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)ncn1	161480966	KEDIUODKTBGESE-KOLCDFICSA-N	233.315	2.094	70	20	BEID	
c1cncc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159661022	FUKRSAMWHQDBHZ-MJBXVCDLSA-N	244.338	2.129	70	20	BEID	
CC1(C)CN(C(=O)N2CCCCCC2)CCO1	160366485	REHSKYRKTODTRH-UHFFFAOYSA-N	240.347	2.093	70	20	BEID	
Cc1cc(C)cc(CN2CCC3(C2)OCCO3)c1	160623199	CNEOYBRVFWHRPI-UHFFFAOYSA-N	247.338	2.252	70	20	BEID	
CCCC[C@@H](C(=O)OC)N1CCC[C@@H]1C	160796002	HHMRTUCPBXYVNL-QWRGUYRKSA-N	213.321	2.203	70	20	BEID	
CCCOCC[C@H](C)CCS(=O)(=O)Cl	116706692	IUSLJKZUKYEILP-VIFPVBQESA-N	242.768	2.398	70	20	BEID	
CCOC[C@H](C)N[C@H](C)c1cscn1	161187135	OCMNTTUSPKLXKG-DTWKUNHWSA-N	214.334	2.219	70	20	BEID	
Cc1cscc1C(=O)N[C@@H]1CCC[C@H](N)C1	161269796	RUWFHRLLLLQRQQ-VHSXEESVSA-N	238.356	2.056	70	20	BEID	
Cc1occc1CN(C)CCOCC1CC1	159569110	CPQMRTMBGHMRMK-UHFFFAOYSA-N	223.316	2.446	70	20	BEID	
COc1cccc2c1CC[C@H]2NC(=O)C(C)C	159943526	AKXHCDKRTGGYQX-GFCCVEGCSA-N	233.311	2.455	70	20	BEID	
COc1ccccc1CN(C)CC1=CCCOC1	160423330	MLFWMWCOFCKNPV-UHFFFAOYSA-N	247.338	2.474	70	20	BEID	
Cc1cc(C[C@H](C)NC(=O)C[C@H]2C=CCC2)n[nH]1	161234163	CXPSGYBGSLYZKJ-JQWIXIFHSA-N	247.342	2.122	70	20	BEID	
CCc1ccc(/C=C/C(=O)NCC(F)F)o1	160636692	ZXCDROYMDOHSFI-AATRIKPKSA-N	229.226	2.237	70	20	BEID	
CCOc1ccc(NC[C@@H](C)O)cc1F	159839942	LGONRSOUQYQOIQ-MRVPVSSYSA-N	213.252	2.017	70	20	BEID	
CCC(=O)N(C)c1ccc(OC)c(F)c1	159397230	IYWVHWOGYQSWDS-UHFFFAOYSA-N	211.236	2.207	70	20	BEID	
CC(C)C(=O)N[C@H]1CCOC2(CCCC2)C1	159382145	XIKATOATRACGSQ-NSHDSACASA-N	225.332	2.250	70	20	BEID	
CCC(C)(CC)C(=O)N1CCO[C@H](C)[C@H]1C	159479935	PAKOLJWHUWPRES-GHMZBOCLSA-N	227.348	2.449	70	20	BEID	
CS[C@H](C)CC(=O)Nc1ccc(F)cn1	160205587	SUDIQXRZQHVDHM-SSDOTTSWSA-N	228.292	2.301	70	20	BEID	
C[C@@H](c1cccs1)N(C)Cc1nncn1C	160799948	WMDNORGGHKFCRA-VIFPVBQESA-N	236.344	2.070	70	20	BEID	
CC[C@@H](NC(=O)N[C@@H]1CCOC1)c1ccccc1	159372390	CJTBDRXKEMOAEC-CHWSQXEVSA-N	248.326	2.226	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)SC	159768501	UXEYPRFHQRPJDO-BBBLOLIVSA-N	215.362	2.433	70	20	BEID	
CCCNC(=O)[C@@H](C)N(CC)C[C@@H](C)CC	160522474	GASZUZHTCHFXIF-NWDGAFQWSA-N	228.380	2.269	70	20	BEID	
CC(C)(C)C[C@@H](CO)Nc1cncc(Cl)n1	161408099	VQDIGWZMYPSXTN-QMMMGPOBSA-N	243.738	2.339	70	20	BEID	
COC[C@@H](C)NC(=O)c1cc(C)c(F)c(C)c1	160956472	SETJHNMRKLDTBE-SNVBAGLBSA-N	239.290	2.207	70	20	BEID	
CS[C@H](C)CNc1nc(C)ns1	161424061	UEYVGWURQHGZKN-RXMQYKEDSA-N	203.336	2.010	70	20	BEID	
CC(C)(C)C[C@H](CO)Nc1cccc(F)n1	161429156	NFUKNAGVBYRQIB-SECBINFHSA-N	226.295	2.430	70	20	BEID	
CC[C@@H](CC(=O)NC[C@H](C)CO)c1ccccc1	160432228	NBVHLZNMMHPWLS-STQMWFEESA-N	249.354	2.315	70	20	BEID	
CCC[C@@H](C(=O)N[C@H](C)COC)C(C)C	160953905	XJALHGPEXQLROK-GHMZBOCLSA-N	215.337	2.210	70	20	BEID	
COc1ccc(OCCCSCCN)cc1	218091523	OZYUEUXODOPUOL-UHFFFAOYSA-N	241.356	2.156	70	20	BEID	
CCNCCNCc1sccc1Cl	161303149	ODZDOACGTIQRNN-UHFFFAOYSA-N	218.753	2.101	70	20	BEID	
O=S(=O)(F)Cc1ccc(C(F)F)cc1	238855935	UGJRYFTYARQCIY-UHFFFAOYSA-N	224.203	2.424	70	20	BEID	
C/C=C(\C=C\C(=O)Nc1ccn(C)n1)CC	159450313	LFECEEVJADLHLY-ZXALVIFSSA-N	219.288	2.271	70	20	BEID	
O=C(NCc1ncccc1F)N[C@H]1C=CCCC1	160271303	OVINVPLQUJWFNW-JTQLQIEISA-N	249.289	2.129	70	20	BEID	
COC(CN1CC[C@@H](Cc2ccccc2)C1)OC	161233143	FSMXJDYYJDBBEQ-AWEZNQCLSA-N	249.354	2.170	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)nn1C	159597805	UAKZUTSGWNDHPZ-MNOVXSKESA-N	235.331	2.037	70	20	BEID	
CC(C)(C)CCCNC(=O)C[C@@H]1CCCN1	160539728	IHPSMOJAFWYRQW-NSHDSACASA-N	226.364	2.071	70	20	BEID	
CCc1nccn1C[C@@H]1CCC(C)(C)O1	161036381	JMPAVQHALZECQP-JTQLQIEISA-N	208.305	2.403	70	20	BEID	
CC[C@H](SC)c1nc(-c2cnccn2)no1	161387945	JVPKEPKBLKAOFW-QMMMGPOBSA-N	236.300	2.341	70	20	BEID	
O=S(=O)(Cl)c1ccc2ccccc2n1	105859755	VHXJRLYFEJAIAM-UHFFFAOYSA-N	227.672	2.162	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)CCCCOC	159551680	INBRLGFTLZFZNP-VXGBXAGGSA-N	227.348	2.498	70	20	BEID	
CN(C)C(=O)[C@]1(C)CCCc2ccccc21	159574314	RKPLNRZUVDKQAI-CQSZACIVSA-N	217.312	2.369	70	20	BEID	
CC(C)CC[C@H](NC(=O)[C@@H](C)N)C(C)(C)C	160071636	XCEGSDJPJSEMHF-MNOVXSKESA-N	228.380	2.301	70	20	BEID	
CS[C@H](C)CC(=O)N(C)Cc1ccccn1	160416485	JBYFIFUKZLGSEN-SNVBAGLBSA-N	238.356	2.182	70	20	BEID	
CN(Cc1cccn1C)C(=O)C[C@H]1C=CCC1	160945916	AKHSLCPWVQMNMO-LBPRGKRZSA-N	232.327	2.340	70	20	BEID	
CC(C)N1CCC([C@H](O)C(F)(F)F)CC1	161226603	XBKJDLSDTUUHPJ-VIFPVBQESA-N	225.254	2.030	70	20	BEID	
CC(C)[C@H](N)C(=O)N[C@H](C)CCC(C)(C)C	161231867	POEANHZTCQPQJR-MNOVXSKESA-N	228.380	2.301	70	20	BEID	
CCC(CC)CC(=O)N[C@H]1CCC[C@@H](N)C1	161448876	IURRWQHZRVLHMT-NEPJUHHUSA-N	226.364	2.199	70	20	BEID	
COCCNC(=O)Nc1c(F)cccc1Cl	217313058	QEKXSJDIHNTLEP-UHFFFAOYSA-N	246.669	2.247	70	20	BEID	
COC(=O)[C@@H](Sc1ccncc1)C(C)C	159883178	INUYBSFKOKHAQD-JTQLQIEISA-N	225.313	2.371	70	20	BEID	
C[C@@H](CC(=O)N(C)CC(F)F)c1ccncc1	160432136	UYDJPUXEMHUZNQ-VIFPVBQESA-N	242.269	2.299	70	20	BEID	
COC(CN(C)[C@H]1CCc2ccccc2C1)OC	161118093	YWOCMRCDHREVLL-AWEZNQCLSA-N	249.354	2.095	70	20	BEID	
COC(C)(C)CNc1nc2ccccc2n1C	161087188	SHTGTJIINSIDGG-UHFFFAOYSA-N	233.315	2.410	70	20	BEID	
C[C@H]1C[C@@H](C)N(Cc2ccc(CO)o2)C1	161296283	DHHLIJIHLWKXAW-VHSXEESVSA-N	209.289	2.002	70	20	BEID	
CCN(C(=O)c1ccncc1F)C(C)C	161391099	VOKNFENDHCILFB-UHFFFAOYSA-N	210.252	2.091	70	20	BEID	
C[C@H]1CCC[C@@H](C(=O)Nc2cn[nH]c2)C1	160398743	OJZGCXSCJVOUML-DTWKUNHWSA-N	207.277	2.175	70	20	BEID	
Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H](C)N)c1	161306885	PIGJQFOAFLSWRD-RYUDHWBXSA-N	234.343	2.170	70	20	BEID	
CCOCCCNC(=S)N[C@H](C)C1CCC1	160038965	VPSGBTYVVDCSAV-SNVBAGLBSA-N	244.404	2.066	70	20	BEID	
CC[C@@H](C)[C@H](C)NCc1ccnn1CC	160131762	YZWQBVASDLGLJK-MNOVXSKESA-N	209.337	2.427	70	20	BEID	
CCOCCn1c(C)nc2c1CCCC2	160733644	KDZHGJSPVWIOST-UHFFFAOYSA-N	208.305	2.107	70	20	BEID	
CCCCOC(=O)CN1CC[C@@H](C)[C@H](C)C1	160980493	NVMVCBZNTSSRHE-VXGBXAGGSA-N	227.348	2.308	70	20	BEID	
Cc1ccc2c(c1)C[C@H](S(=O)(=O)Cl)CC2	536953777	POOKDUAHOKSYTI-LLVKDONJSA-N	244.743	2.421	70	20	BEID	
CCOC(=O)CN(CC)c1ccc(F)c(F)c1	159450083	RGNUGPROVJNWCF-UHFFFAOYSA-N	243.253	2.354	70	20	BEID	
OCCCNC1CCC2(CCCC2)CC1	161361281	TWFMWGPJSVEJPY-UHFFFAOYSA-N	211.349	2.461	70	20	BEID	
O=S(=O)(Cl)Cc1nc2ccccc2s1	100656150	KHPIMOLUMANQGI-UHFFFAOYSA-N	247.728	2.365	70	20	BEID	
CC[C@H](C)c1cc(C(=O)Nc2cn[nH]c2)on1	160401906	MUYIZBLBEGDRRG-ZETCQYMHSA-N	234.259	2.164	70	20	BEID	
CCCC1(CNC(=O)c2ncoc2C)CC1	160805381	FXRRFXLLVLHQEV-UHFFFAOYSA-N	222.288	2.293	70	20	BEID	
C[C@@H](NCc1nccs1)c1cscn1	161159927	LDRLXAFLMXDAFW-SSDOTTSWSA-N	225.342	2.450	70	20	BEID	
CCc1ncnc(N[C@@H]2C[C@H]2CC)c1F	218020618	HBIYAMKEBAVAAU-VXNVDRBHSA-N	209.268	2.389	70	20	BEID	
Cc1nnc(N[C@H]2CCOC(C)(C)C2)s1	160697390	YTWNQRBPTDPFFD-QMMMGPOBSA-N	227.333	2.216	70	20	BEID	
Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2C)ncn1	159986357	WFRRXSANFYOMJX-ZYHUDNBSSA-N	247.342	2.341	70	20	BEID	
CCNCC1CCN(C(=O)C2(C)CCC2)CC1	161074291	ADSFVFJVNTZFPP-UHFFFAOYSA-N	238.375	2.025	70	20	BEID	
CC[C@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1	159722917	KWMQODOZKGMKHI-IHRRRGAJSA-N	246.354	2.176	70	20	BEID	
COC(=O)CN1CCCc2c(C)cc(C)cc21	160383645	GGYATWLHLXUQCV-UHFFFAOYSA-N	233.311	2.229	70	20	BEID	
CN(C)C(=O)Cc1cccc(OC(F)(F)F)c1	160653203	ZCOZMKSMCDGUAI-UHFFFAOYSA-N	247.216	2.216	70	20	BEID	
CC(C)(C)n1cc(C(=O)NC2CC=CC2)cn1	160818226	ZXXLSJLJISEZQI-UHFFFAOYSA-N	233.315	2.087	70	20	BEID	
CCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC	161091404	DWZFCGPPSAYPQB-NWDGAFQWSA-N	227.348	2.450	70	20	BEID	
CCC(=O)c1ccccc1NC(=O)CCl	147355415	BZNNHUKHVZUGGQ-UHFFFAOYSA-N	225.675	2.457	70	20	BEID	
Cc1nnc(N[C@H]2CCO[C@@H](C3CC3)C2)s1	160283348	ZPMHFSREXSGEIT-VHSXEESVSA-N	239.344	2.216	70	20	BEID	
Cc1cnc(NCc2ccc(O)cc2)nc1	160422052	NJUJAKZRGSEOKC-UHFFFAOYSA-N	215.256	2.103	70	20	BEID	
C1CCC(CSCCN2CCOCC2)C1	159894792	FPVSHONLYJOPHD-UHFFFAOYSA-N	229.389	2.242	70	20	BEID	
CC(C)(C(=O)NC1CCOCC1)C1CCCC1	160443323	VYMUGCCAXGUAPQ-UHFFFAOYSA-N	239.359	2.498	70	20	BEID	
Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H](N)C1	160965063	UHEYAGJJMAWSBZ-NXEZZACHSA-N	238.356	2.056	70	20	BEID	
C[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)c1cnccn1	161063759	QQDSBLFLJQPERH-AGIUHOORSA-N	248.374	2.000	70	20	BEID	
O=C(OCCC1CC1)c1ccncc1F	217997181	TYFICDYROGHCSQ-UHFFFAOYSA-N	209.220	2.178	70	20	BEID	
COc1ccc(OC(=O)[C@@H]2CCCCO2)cc1	159363199	OEYCQEFXDPJNLZ-LBPRGKRZSA-N	236.267	2.170	70	20	BEID	
O=C(Nc1cc(F)ccc1F)[C@H]1CCCCO1	159463569	WOQBNEAVZBNKGY-LLVKDONJSA-N	241.237	2.472	70	20	BEID	
C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCCN1	159770859	FTMRKTMBMLTEND-NEPJUHHUSA-N	240.391	2.460	70	20	BEID	
CCc1noc(C)c1CS[C@H](CC)C(N)=O	160066192	RJDVHZNKOXOFGL-SNVBAGLBSA-N	242.344	2.043	70	20	BEID	
CCCOCC(=O)Nc1cc(C2CC2)nc(C)n1	160134447	STDIFBOCJMSDFN-UHFFFAOYSA-N	249.314	2.028	70	20	BEID	
CCc1ncnc(N2CCC[C@@H]2C)c1F	160194091	GCHCMRBQRVFIEH-QMMMGPOBSA-N	209.268	2.167	70	20	BEID	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)c(C)c1	160974953	YHGHGJGHTMWOEP-OLZOCXBDSA-N	246.354	2.303	70	20	BEID	
Cc1cncc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160409136	ZILXMUZACALVKN-NEPJUHHUSA-N	233.315	2.155	70	20	BEID	
Cc1cc(C)nc(N[C@H]2CCOC(C)(C)C2)n1	160670312	KRMJOHRWIAKEBV-NSHDSACASA-N	235.331	2.463	70	20	BEID	
CCn1ccnc1CN1CCC[C@@H](C)C1	160672895	OVUNMLGTYNGZFZ-LLVKDONJSA-N	207.321	2.135	70	20	BEID	
CCC(=O)N1CCC[C@H]1c1ccc(COC)o1	161187253	KMFOKRROMVGEJY-NSHDSACASA-N	237.299	2.500	70	20	BEID	
CC[C@H](C(=O)Nc1ccc(C)cc1)C(=O)OC	216849999	IUYHBGWLOUDYFD-LLVKDONJSA-N	235.283	2.133	70	20	BEID	
CC[C@H](CCO)Nc1nc(Cl)cs1	217993318	RTLCBXQKPVMVAP-ZCFIWIBFSA-N	220.725	2.369	70	20	BEID	
CC(C)[C@H](c1ccccc1)N(C)C(=O)CCN	159755860	NPVAZSJRSPRQGA-CQSZACIVSA-N	234.343	2.191	70	20	BEID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CCCCN1	159768393	FTMRKTMBMLTEND-NWDGAFQWSA-N	240.391	2.460	70	20	BEID	
C[C@](O)(CN[C@@H]1CCSC1)c1ccsc1	159893893	ACDSZGAIAKKONP-MNOVXSKESA-N	243.397	2.051	70	20	BEID	
Cc1cc(N[C@H]2CCOC(C)(C)C2)ncn1	160659735	WCKSOQKVLXEXFT-JTQLQIEISA-N	221.304	2.155	70	20	BEID	
Cc1cccnc1CNC(=O)NC1(C)CCC1	160836965	RUTBHSIWKAYQHZ-UHFFFAOYSA-N	233.315	2.132	70	20	BEID	
C[C@H](NCC(C)(C)O)c1ccnc(Cl)c1	160627876	FJBNLELTBFKEGR-QMMMGPOBSA-N	228.723	2.157	70	20	BEID	
CC(C)(C)OC(=O)NN1Cc2ccccc2C1=O	217487294	BBNCADDNROJBBC-UHFFFAOYSA-N	248.282	2.082	70	20	BEID	
CC(C)(F)C(=O)NC[C@]1(C)CCCS1	159911369	GGBDWPSYNXUMQR-JTQLQIEISA-N	219.325	2.136	70	20	BEID	
Cc1cc(N[C@H](C)C2CCC2)n2ncnc2n1	159990918	DVKCUQNAXWWJEN-SECBINFHSA-N	231.303	2.033	70	20	BEID	
Cc1ncccc1CN[C@@H]1CCOC(C)(C)C1	160541787	DSYFACVEYRHFOO-CYBMUJFWSA-N	234.343	2.437	70	20	BEID	
CCC[C@@H](CC)NC(=O)[C@@H]1CCn2ccnc2C1	160874637	MJVUAOOXJIUALC-VXGBXAGGSA-N	249.358	2.140	70	20	BEID	
CCCCS[C@@H](C)C(=O)NC[C@@H](C)CCO	161015763	JWMGKWXSFSRXQO-QWRGUYRKSA-N	247.404	2.043	70	20	BEID	
CCOCCN(C)Cc1nc2ccccc2[nH]1	161251496	DKNFHQWGGPIRDN-UHFFFAOYSA-N	233.315	2.031	70	20	BEID	
c1cc(-c2ccnn2Cc2nccs2)ccn1	161322453	SKKKBGLYLFYDND-UHFFFAOYSA-N	242.307	2.450	70	20	BEID	
CCCC[C@@H](C(=O)OC)N(C)CCC	160798790	QXIHLTNPYZBOGL-JTQLQIEISA-N	201.310	2.060	70	20	BEID	
CN(CCn1ccnc1)CC1CCCC1	161503681	BYEIJEVWVLMZLT-UHFFFAOYSA-N	207.321	2.005	70	20	BEID	
O=C(C[C@@H]1CCCCO1)NCC1(C2CC2)CC1	159710131	NNILLXQBFNATEO-LBPRGKRZSA-N	237.343	2.252	70	20	BEID	
CCN(C)C(=O)N(C)Cc1cccc(OC)c1	160388413	CBKNKHPADGIDTO-UHFFFAOYSA-N	236.315	2.199	70	20	BEID	
C[C@@H]1CCC[C@H](C(=O)Nc2cn[nH]c2)C1	160398344	OJZGCXSCJVOUML-BDAKNGLRSA-N	207.277	2.175	70	20	BEID	
CCCC1(CNC(=O)c2cncnc2C)CC1	160709225	MRZBLWRYYICIKP-UHFFFAOYSA-N	233.315	2.095	70	20	BEID	
CCCNCCNCC1CCC(C)CC1	161342244	YNDNZAPGGADCSB-UHFFFAOYSA-N	212.381	2.402	70	20	BEID	
CS[C@@H](C)CNC(=O)NCC1(C(C)C)CC1	159559423	FYYOVBXMYANWCF-JTQLQIEISA-N	244.404	2.473	70	20	BEID	
CCc1cc(C(=O)NCC(C)(C)N)sc1C	159925050	OWWKDXUGLGUMHN-UHFFFAOYSA-N	240.372	2.086	70	20	BEID	
C[C@H]1CC(C)(C)C[C@H]1S(=O)(=O)Cl	235595000	GPTVHQAIOPCLDX-NKWVEPMBSA-N	210.726	2.380	70	20	BEID	
C[C@@H](CO)N(C)C(=O)[C@H](C)CC1CCCC1	160451030	VAGPZLIOXFYNKV-MNOVXSKESA-N	227.348	2.042	70	20	BEID	
C[C@H]1C[C@@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160509658	XTLLWXHTTAQXEQ-WPRPVWTQSA-N	233.267	2.034	70	20	BEID	
CC[C@H](O)CCNC(=O)N[C@H]1CCCC[C@@H]1C	160670813	BBKBLAKBUQKCIR-SRVKXCTJSA-N	242.363	2.025	70	20	BEID	
CC(C)N(Cc1ccccc1)Cc1nncn1C	160730446	KBILRLIZDHWMSH-UHFFFAOYSA-N	244.342	2.226	70	20	BEID	
C[C@@H](c1ccco1)N(C)CCn1ccnc1	161500218	WNUYPMSACGBIKE-NSHDSACASA-N	219.288	2.169	70	20	BEID	
CC(C)N(C(=O)[C@@H]1CCC[C@@H](N)C1)C1CCC1	160560848	RHBINXUQRXPAJU-VXGBXAGGSA-N	238.375	2.293	70	20	BEID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)C	160653874	TYWRQWKIBYUDJA-IUCAKERBSA-N	209.314	2.248	70	20	BEID	
Cc1ncccc1CN[C@H]1CCOC(C)(C)C1	160541933	DSYFACVEYRHFOO-ZDUSSCGKSA-N	234.343	2.437	70	20	BEID	
N[C@H]1CCC[C@@H](NC(=O)C2CCCCCC2)C1	161312547	SCPCYBWKRQCNKO-QWHCGFSZSA-N	238.375	2.343	70	20	BEID	
O=S(=O)(Cl)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	251591566	ZJDZMVUOIBKMGH-MQIGXGKASA-N	234.748	2.380	70	20	BEID	
C[C@@H]1C[C@@H](C)N(C(=O)c2ccncc2F)C1	161432645	MLJREEMQFMOMFK-RKDXNWHRSA-N	222.263	2.091	70	20	BEID	
Cc1ncn(C[C@H]2CCC(C)(C)O2)c1C	161457665	KGUYXLCZIVDUQH-LLVKDONJSA-N	208.305	2.458	70	20	BEID	
C[C@@H]1CCCC[C@@H]1CS(=O)(=O)Cl	215095172	WUFVNNCYVWPDNS-HTQZYQBOSA-N	210.726	2.381	70	20	BEID	
Cn1cnnc1CSC1CCCCC1	160951543	IIUMUFJLXQGMKK-UHFFFAOYSA-N	211.334	2.381	70	20	BEID	
CCCn1ccc2ccc(NC(=O)[C@@H](C)N)cc21	161281526	LWKURIDTLPLSMN-SNVBAGLBSA-N	245.326	2.337	70	20	BEID	
CCOCCCN1CCC[C@@H](c2ccn[nH]2)C1	159433546	FEQZPIRLYUQIQD-GFCCVEGCSA-N	237.347	2.016	70	20	BEID	
CCOCCNc1ccncc1Br	159820478	VKOYKURWSNONCQ-UHFFFAOYSA-N	245.120	2.293	70	20	BEID	
CN(CCC1CCCC1)[C@@H]1CCCCNC1=O	160297393	RIGJMMMMJZUFFS-CYBMUJFWSA-N	238.375	2.167	70	20	BEID	
CCO[C@H](C)c1nccn1CC1CCOCC1	161491104	SARGLBKAJQHXED-LLVKDONJSA-N	238.331	2.407	70	20	BEID	
Cc1cccc(C(=O)NCc2c[nH]nc2C)c1F	161505790	LKCKSDFJQYTBEM-UHFFFAOYSA-N	247.273	2.096	70	20	BEID	
Cc1ccc(C(=O)OCCCN2CCCC2)cn1	217009815	HXJHCQLLQSBLGZ-UHFFFAOYSA-N	248.326	2.033	70	20	BEID	
C[C@@H]1C[C@H](C(=O)Oc2ccccc2)CCO1	217691398	MXEUVXJHVWJMPI-GHMZBOCLSA-N	220.268	2.407	70	20	BEID	
CCc1ncnc(N[C@@H](C)[C@@H]2CCOC2)c1F	218040733	DDOAHWOCVFIWDC-DTWKUNHWSA-N	239.294	2.015	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1cccn1C	160917770	BQPDGGLUPVGXNB-GXTWGEPZSA-N	234.343	2.420	70	20	BEID	
C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1cscn1	161212240	SUBGUORJTNCTKH-LPEHRKFASA-N	226.345	2.219	70	20	BEID	
CCSCCN1CCC(NC(C)C)CC1	160497092	FCUNDHDUWWTBHP-UHFFFAOYSA-N	230.421	2.202	70	20	BEID	
O=C([C@@H]1CCCCO1)N(C1CCCC1)C1CC1	160897476	SMBIRRPSJLDFCZ-ZDUSSCGKSA-N	237.343	2.489	70	20	BEID	
NC(=O)c1ccc(Cl)cc1OCC(F)F	159628810	KMLZIDVIXGSOPY-UHFFFAOYSA-N	235.617	2.083	70	20	BEID	
CCOC[C@H](CS(=O)(=O)Cl)C(C)(C)C	114435046	IZGBMIAOWWXRMD-MRVPVSSYSA-N	242.768	2.254	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)CCCn1ccnc1	159845846	PJSZLUDCZVHAMS-STQMWFEESA-N	249.358	2.358	70	20	BEID	
COc1cc(N[C@H]2CCCN(C)C2)ccc1F	160046398	BYSKDUYSCJDUNO-NSHDSACASA-N	238.306	2.340	70	20	BEID	
C[C@H]1CCC[C@@H](C(=O)N2CCOC(C)(C)C2)C1	160355412	QYXHOUFIPNIESB-NWDGAFQWSA-N	239.359	2.450	70	20	BEID	
CCOCCOC(=O)c1cc(F)cnc1Cl	218159312	SQQRPQLRMPCKQL-UHFFFAOYSA-N	247.653	2.067	70	20	BEID	
CS[C@@H](C)CNC(=O)c1cccc(C)c1O	159530914	DHYGUIIVGPQVFI-VIFPVBQESA-N	239.340	2.182	70	20	BEID	
CN(Cc1ccsc1)C(=O)[C@@H]1CCCCO1	160179887	IEZJJTPDPPPJEY-NSHDSACASA-N	239.340	2.276	70	20	BEID	
CCCCN(CCCC)Cc1nncn1C	160756633	YPNUMFHOFLPOKL-UHFFFAOYSA-N	224.352	2.217	70	20	BEID	
C[C@@H](CN(C)C)Nc1cccc(C(F)(F)F)n1	161115818	DNDVXIDEYCDFCR-QMMMGPOBSA-N	247.264	2.462	70	20	BEID	
C[C@H]1CCCN1Cc1cnc2ccccn12	160891950	GIJZDODSLPCNJY-NSHDSACASA-N	215.300	2.319	70	20	BEID	
Cn1cnnc1CSc1ncccc1Cl	161017147	GBCRXWNHGNBWDK-UHFFFAOYSA-N	240.719	2.156	70	20	BEID	
C[C@@H]1CC[C@@H](S(=O)(=O)Cl)C[C@H]1C	251705181	HWBPUZMKZJECMK-BWZBUEFSSA-N	210.726	2.380	70	20	BEID	
CCOCCC(=O)N[C@@H]1CCC[C@@H]1CC	159668929	HZZCCMHWKUPALP-WDEREUQCSA-N	213.321	2.108	70	20	BEID	
O=C(NCCCc1ccccc1)[C@@H]1CCCCO1	159560876	WHDMNSWSBXDGIV-AWEZNQCLSA-N	247.338	2.305	70	20	BEID	
CCCCCOc1ccccc1CC(N)=O	159866414	JUNCPPIEJKPINE-UHFFFAOYSA-N	221.300	2.283	70	20	BEID	
CCCC[C@@H](CC)CC(=O)N1CCCNCC1	160844786	LMVPCZSZRIXYLT-CYBMUJFWSA-N	240.391	2.415	70	20	BEID	
C[C@H]1CCN(C(=S)NC2CC2)C[C@@H]1C	160871210	FKXAEDPMSUBNFY-IUCAKERBSA-N	212.362	2.001	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)COCC1CC1	159807763	DVBDMZVZQBCSMQ-NEPJUHHUSA-N	225.332	2.108	70	20	BEID	
CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1O)C(C)C	159919096	XRYJEVVXLPBHTE-SRVKXCTJSA-N	227.348	2.088	70	20	BEID	
COc1cccnc1NC[C@@H]1CCCCO1	160220820	IBPIJZGAZWFIPE-JTQLQIEISA-N	222.288	2.071	70	20	BEID	
C[C@@H]1CCN(C(=O)NC2CCC2)C[C@@H]1C	160864676	UASWLAOZZBOFFO-ZJUUUORDSA-N	210.321	2.226	70	20	BEID	
CCCn1nc(C)c(C(=O)N(CC)CC)c1C	161164071	ZLKSBPYTJOCCLL-UHFFFAOYSA-N	237.347	2.392	70	20	BEID	
COC(=O)NC[C@@H](OC)c1ccccc1Cl	218310670	DAKDOVBGWKCKKW-SNVBAGLBSA-N	243.690	2.384	70	20	BEID	
CN(Cc1cnc2ccccn12)CC(F)(F)F	160160334	FLCWMIJSXLJOLE-UHFFFAOYSA-N	243.232	2.328	70	20	BEID	
Cc1nccc(N(C)CCC2CCOCC2)n1	160542022	JDNHFOIPOXMGAR-UHFFFAOYSA-N	235.331	2.038	70	20	BEID	
CC1(NC(=O)NCCc2cccc(O)c2)CCC1	160554357	FKUGPHHSEORSIP-UHFFFAOYSA-N	248.326	2.177	70	20	BEID	
O=C(Cc1c[nH]c2cc(F)ccc12)NCC1CC1	159494918	YADTUBUYKLRKIZ-UHFFFAOYSA-N	246.285	2.376	70	20	BEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)C1CC1	159940492	SUBDMTLNWUWCJX-LLVKDONJSA-N	223.316	2.004	70	20	BEID	
O=C(Nc1cnc(C2CC2)nc1)NC1CC=CC1	160013261	NSXSWCHAHYGTGX-UHFFFAOYSA-N	244.298	2.194	70	20	BEID	
CCC(N)(CC)CNC(=O)C[C@@H]1CC[C@@H](C)C1	160503868	AGDAILRYGGGIMD-VXGBXAGGSA-N	240.391	2.446	70	20	BEID	
CCCC[C@@H](SCCOC)C(=O)OC	160788033	TVJWQUJJDWMDDP-SECBINFHSA-N	220.334	2.098	70	20	BEID	
CC(C)N(C)CCN[C@@H](C)c1cscn1	161182728	OVKVFQLKGNAMDD-JTQLQIEISA-N	227.377	2.134	70	20	BEID	
COc1cccc(CNCC(F)F)c1F	160468041	ZQGFLCFDVWINOL-UHFFFAOYSA-N	219.206	2.189	70	20	BEID	
COC[C@H](C)NCCC1Cc2ccccc2C1	159730971	BBHYCUHBVCNXOH-LBPRGKRZSA-N	233.355	2.416	70	20	BEID	
CCCn1c(C)nnc1CN1[C@H](C)CC[C@H]1C	161224466	CSYXIUTWZVPJTA-GHMZBOCLSA-N	236.363	2.369	70	20	BEID	
CS[C@@H](C)CN[C@H](C)C(=O)OC(C)(C)C	159598601	HBDVHRKBDQVCMM-DTWKUNHWSA-N	233.377	2.058	70	20	BEID	
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCCO1	159638277	ZHPASNJZAUDZBM-WOPDTQHZSA-N	225.332	2.250	70	20	BEID	
C[S@](=O)c1ncc(C(C)(C)C)s1	160526160	CTBDSCOOKIRIAG-GFCCVEGCSA-N	203.332	2.178	70	20	BEID	
C[C@H]1CCN(CCC2OCCCO2)C[C@@H]1C	160978090	RLWKMXDNKULKLI-RYUDHWBXSA-N	227.348	2.117	70	20	BEID	
CCCCn1ncc(C(=O)N2CCCC2)c1C	160978926	LUMFIZKHNOBCAV-UHFFFAOYSA-N	235.331	2.228	70	20	BEID	
CCOCCCNC(=S)N[C@H](C)CC(C)C	159571280	ZBUKCZLUTLIUQQ-LLVKDONJSA-N	246.420	2.312	70	20	BEID	
COc1cccnc1NCCC(F)(F)F	160232567	WPTDDIKNOFJTOB-UHFFFAOYSA-N	220.194	2.455	70	20	BEID	
COc1cccc(SCc2nnc(C)n2C)c1	161021941	AHHCOCMMWIMDLW-UHFFFAOYSA-N	249.339	2.424	70	20	BEID	
Cn1nccc1CSc1ccc(O)cc1	161343248	KQZDYUPSPAQYJT-UHFFFAOYSA-N	220.297	2.418	70	20	BEID	
CCC[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1	161443666	MBRSIGKDYHQFAM-QWHCGFSZSA-N	238.375	2.167	70	20	BEID	
O=S(=O)(CCCCl)Oc1ccccc1	142531743	BGKRPPHVNLUXTD-UHFFFAOYSA-N	234.704	2.024	70	20	BEID	
O=C(N[C@H]1CCc2ccccc21)[C@@H]1CCCCO1	160340723	IJQWHSYLYPBYOD-KBPBESRZSA-N	245.322	2.359	70	20	BEID	
C(=C/c1ccccc1)\CN1CCC2(C1)OCCO2	160623051	KQZYDWLHFWGKDR-QPJJXVBHSA-N	245.322	2.149	70	20	BEID	
COC(CN1CCc2ccccc2[C@H]1C)OC	160999670	MZUQXKASGSQAJR-LLVKDONJSA-N	235.327	2.225	70	20	BEID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1cnccn1	161063520	QQDSBLFLJQPERH-UPJWGTAASA-N	248.374	2.000	70	20	BEID	
Cc1cccc2c(O)c(C(=O)N3CCC3)cnc12	161507364	WCLOHAZIRMFPMY-UHFFFAOYSA-N	242.278	2.095	70	20	BEID	
CCC(C)(C)OCCCS(=O)(=O)Cl	112356655	GXYVZFZQUSBXNQ-UHFFFAOYSA-N	228.741	2.150	70	20	BEID	
CCN(CC)C(=O)N(C)Cc1cccc(C)n1	160699416	BDXYYDKYKMSIBR-UHFFFAOYSA-N	235.331	2.284	70	20	BEID	
C[C@H](NC(=O)CCN)c1ccc(F)cc1Cl	161150057	GYYILUWXJUSLTB-ZETCQYMHSA-N	244.697	2.005	70	20	BEID	
CC(C)C[C@H](C)NC(=S)NC(C)C	159573481	HIBZIBOPZWFNFF-VIFPVBQESA-N	202.367	2.294	70	20	BEID	
Cc1cccnc1NC(=O)NC(C)(C)C	217313524	TUTFJOUUEBRFES-UHFFFAOYSA-N	207.277	2.310	70	20	BEID	
Cc1n[nH]cc1CN(C)Cc1ccc(F)cc1	161152287	LCPGUSRVZNMRAO-UHFFFAOYSA-N	233.290	2.489	70	20	BEID	
CCc1ccccc1C(=O)NCC(C)(C)N(C)C	160787264	OBRABNKMIDWFQH-UHFFFAOYSA-N	248.370	2.319	70	20	BEID	
CCC[C@@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1	160893082	BFBPXSJJVGGNAM-YRGRVCCFSA-N	248.370	2.422	70	20	BEID	
CCC[C@@H](CCc1ccccc1)NC(=O)CNC	160937346	UFVVWVVDCIASKL-AWEZNQCLSA-N	248.370	2.124	70	20	BEID	
CCOCCCNc1ncnc(CC)c1F	217954689	KBESRKGQYSDXIQ-UHFFFAOYSA-N	227.283	2.017	70	20	BEID	
CCOC(=O)[C@H](SCCO)c1ccccc1	217697263	AHGLHXXKHIKXJL-LLVKDONJSA-N	240.324	2.016	70	20	BEID	
CO[C@@](C)(C(=O)NC1CC=CC1)c1ccccc1	161011350	KMJAPTPSHIHVQG-OAHLLOKOSA-N	245.322	2.383	70	20	BEID	
O=C(NCCc1cccc(O)c1)c1ccsc1	160148452	YWCBSRJDCOIXFW-UHFFFAOYSA-N	247.319	2.426	70	20	BEID	
Cc1noc(C)c1[C@H](C)CC(=O)NCCCF	160458031	XFNVZVWNFSOWAP-MRVPVSSYSA-N	242.294	2.261	70	20	BEID	
CS[C@@H](C)CC(=O)NCCOCCC(C)C	161400788	WFURDDDIPILREC-NSHDSACASA-N	247.404	2.307	70	20	BEID	
C[C@@H](c1ccc(C#N)cc1)S(=O)(=O)Cl	88251388	JUFHUBYEIFGCRG-ZETCQYMHSA-N	229.688	2.188	70	20	BEID	
C[C@H](N[C@H]1CCN2CCCC[C@@H]12)C1CC1	217681471	ZVXUCGIRBGLCHD-DRZSPHRISA-N	208.349	2.001	70	20	BEID	
C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCCO1	160767212	AIRGDDIJNJBFPM-TUAOUCFPSA-N	225.332	2.345	70	20	BEID	
C[C@@H]1CCC[C@H](S(=O)(=O)Cl)[C@@H]1C	113260881	PYBCZNMLRBRLMA-PRJMDXOYSA-N	210.726	2.380	70	20	BEID	
CS[C@@H](C)CC(=O)NCc1ccc(C)nc1	159947525	ULKHUCFWWWCDRM-JTQLQIEISA-N	238.356	2.148	70	20	BEID	
Cc1cc(N[C@]2(C)CCOC2)nc(C(C)C)n1	159998294	CSCALQZMSFEERJ-CYBMUJFWSA-N	235.331	2.499	70	20	BEID	
CCCCNC(=S)N[C@@H](C)C1CCC1	160036220	TZFPMPJZZFMDOH-VIFPVBQESA-N	214.378	2.439	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)CC(CC)CC	160715250	OVBHBGHXSRREAL-JTQLQIEISA-N	243.347	2.271	70	20	BEID	
CC(C)[C@H](CO)C(=O)N[C@H](C)c1ccccc1	217437593	MOICKDQGPKLWIH-YPMHNXCESA-N	235.327	2.128	70	20	BEID	
CCC(C)(CC)C(=O)N1CCC[C@@H](CO)C1	159433194	BMELRQDJHXQKLV-LLVKDONJSA-N	227.348	2.044	70	20	BEID	
C[C@H](CC1CCCC1)C(=O)N(C)[C@H](C)CO	160451262	VAGPZLIOXFYNKV-GHMZBOCLSA-N	227.348	2.042	70	20	BEID	
Cc1cnc(NC(=O)c2ccc(C(C)C)nc2)[nH]1	160789876	QQAGTZJURWGZSW-UHFFFAOYSA-N	244.298	2.489	70	20	BEID	
Cn1cnnc1CSCc1ccccc1	160951798	GPJFCSUEKMMING-UHFFFAOYSA-N	219.313	2.249	70	20	BEID	
CC[C@@H](C)N(C)CCNc1nccs1	217366122	SVZJTPMURQQCFN-SECBINFHSA-N	213.350	2.285	70	20	BEID	
CCC1(CNC(=O)NC[C@@H](C)SC)CC1	159457923	UNCZRZAIQPUULE-SECBINFHSA-N	230.377	2.227	70	20	BEID	
CCOCCCC(=O)N[C@@H]1CCC[C@H]1CC	159769291	ALRZCZXORXIVHS-VXGBXAGGSA-N	227.348	2.498	70	20	BEID	
C[C@@H]1CC[C@@H](NC(=O)c2c(O)cccc2O)C1	218086634	HDONWMFSBJDDJF-RKDXNWHRSA-N	235.283	2.016	70	20	BEID	
CCC[C@H](C)CC(=O)NCC(N)(CC)CC	160483677	SDZORSFPRNVGEB-NSHDSACASA-N	228.380	2.446	70	20	BEID	
CCc1ncc(NC(=O)N2CC[C@H](CC)C2)cn1	161143971	DSFRVOQJGKRBRL-JTQLQIEISA-N	248.330	2.303	70	20	BEID	
C[C@H](CC1CC1)NC(=O)N(C)Cc1cccn1C	160410227	WXHKFSCGLHCZID-LLVKDONJSA-N	249.358	2.355	70	20	BEID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1C1CC1	159709512	KIMAWKFBTQZCJG-NWDGAFQWSA-N	219.328	2.339	70	20	BEID	
CCC(=O)N1CCc2c(F)cccc2C1	160962328	ZSFLLGFZPNYMJD-UHFFFAOYSA-N	207.248	2.120	70	20	BEID	
C1CCC(N[C@H]2CCN3CCCC[C@@H]23)C1	217647464	UUCHMYHNJBPUCU-STQMWFEESA-N	208.349	2.145	70	20	BEID	
CCCC[C@H](C(=O)OC)N(C)CCCC	160796736	GGPLKGGSPSWMSW-LLVKDONJSA-N	215.337	2.450	70	20	BEID	
O=S(=O)(Cl)CCCOC1CCCCC1	112155082	LELTZOWOROZIKG-UHFFFAOYSA-N	240.752	2.294	70	20	BEID	
C[C@H]1CCC[C@@H](C(=O)N(C)Cc2cnn(C)c2)C1	160252003	RAZKTZGGWSDYLI-WCQYABFASA-N	249.358	2.205	70	20	BEID	
CC(C)[C@H]1CCCCN1C(=O)[C@H]1CCCNC1	160426774	IGGRLCHMJQAFCD-QWHCGFSZSA-N	238.375	2.023	70	20	BEID	
C[C@H]1C[C@H](C)N(Cc2ccc(CO)o2)C1	161296122	DHHLIJIHLWKXAW-UWVGGRQHSA-N	209.289	2.002	70	20	BEID	
CCc1ncnc(N[C@H]2CCSC2)c1F	218046640	RPVSYBPNSUZMHY-ZETCQYMHSA-N	227.308	2.096	70	20	BEID	
CC(C)COCCCCCS(=O)(=O)Cl	112155192	CWZSOLVSRCJAQU-UHFFFAOYSA-N	242.768	2.398	70	20	BEID	
CC[C@H](C(=O)NCC1(CC)CCCC1)N(C)C	159406436	KSVRAYQCXNSPDI-GFCCVEGCSA-N	240.391	2.413	70	20	BEID	
C[C@H]1CCN(CN2CC(C)(C)OC2=O)C[C@@H]1C	159920594	MPRGXZNCOPYKDU-QWRGUYRKSA-N	240.347	2.153	70	20	BEID	
CCC(N)(CC)CNC(=O)CCCCSC	160440743	ZDYYSBZMEIEILM-UHFFFAOYSA-N	246.420	2.153	70	20	BEID	
Cc1ccc(C(N)=O)c(OCc2nccs2)c1	161221830	NEZHTOCHGLCPNY-UHFFFAOYSA-N	248.307	2.129	70	20	BEID	
Cc1cc(C(=O)N[C@H](C)c2ccccn2)ccn1	217696329	CSTIUKIRJXZENU-LLVKDONJSA-N	241.294	2.276	70	20	BEID	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCCN	160907586	WJDKTSQJFJUBQJ-OCCSQVGLSA-N	246.354	2.130	70	20	BEID	
CCC(C)(CC)C(=O)NCc1ncoc1C	159418095	AKYPWWWHUZUVOD-UHFFFAOYSA-N	224.304	2.426	70	20	BEID	
CN(Cc1nccn1C)CC1CCCC1	160873240	PZNKIQHLDASKIU-UHFFFAOYSA-N	207.321	2.042	70	20	BEID	
CCc1ccc(CN[C@@H]2CCC[C@H]2O)s1	217823580	IIFASPMNIJOFLD-VXGBXAGGSA-N	225.357	2.314	70	20	BEID	
CC[C@@H](C)C(=O)N(C)c1ccc2c(c1)OCO2	160145102	PEZNCXPTUWJUEY-SECBINFHSA-N	235.283	2.424	70	20	BEID	
CCc1cc(O)nc(CN(C(C)C)C2CC2)n1	160752522	HNZIFMHNCPLANE-UHFFFAOYSA-N	235.331	2.117	70	20	BEID	
CCC[C@H](N)C(=O)N[C@@H](C)CCC(C)(C)C	161230773	QHHNRYFLDKSPPM-QWRGUYRKSA-N	228.380	2.445	70	20	BEID	
CCCCCN1C(=O)N[C@@](C)(C(C)C)C1=O	159616221	NQINMHHFMAYYHT-LBPRGKRZSA-N	226.320	2.143	70	20	BEID	
O=S(=O)(F)CCc1ccc(Cl)cc1	258987860	VWKSOOBKMMPYLT-UHFFFAOYSA-N	222.668	2.182	70	20	BEID	
CCOC(C)(C)CNC(=O)c1cccs1	159783994	YIYBOXDUOGSTDH-UHFFFAOYSA-N	227.329	2.293	70	20	BEID	
CC[C@@H](C)C(=O)N(C)Cc1cccn1C	160372814	UDCIZUAYYDFXET-SNVBAGLBSA-N	208.305	2.030	70	20	BEID	
CCCC[C@H](C(=O)OC)N(C)CC(C)C	160798641	IOIASFWPFBKLKY-LLVKDONJSA-N	215.337	2.306	70	20	BEID	
Cc1ccnc(N2C[C@@H](C)OC(C)(C)C2)c1	161437746	UTCBBBBRQGWMEG-LLVKDONJSA-N	220.316	2.394	70	20	BEID	
CC[C@@H](NC(=O)c1cocn1)c1c(C)noc1C	160653413	XLTGCFWVMOKUCT-SECBINFHSA-N	249.270	2.161	70	20	BEID	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)Cl	306316498	RKRKRKOBYFYLQZ-XSPKLOCKSA-N	222.737	2.380	70	20	BEID	
Cc1ccccc1C(=O)Nc1c[nH]c(=O)c(C)c1	159495572	FWFPPZFJDBQBQV-UHFFFAOYSA-N	242.278	2.244	70	20	BEID	
O=C(NCC1(C2CC2)CC1)NC1CC=CC1	160362162	FMVUPMTUHYXJDB-UHFFFAOYSA-N	220.316	2.194	70	20	BEID	
CCCCN(CCCC)C(=O)N[C@H]1CCOC1	159472062	QBICNVZEIVTSCS-LBPRGKRZSA-N	242.363	2.387	70	20	BEID	
Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)s1	159688191	AGIRNSLMLBHXSF-UHFFFAOYSA-N	248.307	2.306	70	20	BEID	
CCOCCCCNC(=O)C[C@@H](C)SC	160304370	LKPGNLMHQRTVPQ-SNVBAGLBSA-N	233.377	2.061	70	20	BEID	
Oc1cc(F)cc(CNCC(F)(F)F)c1	159583053	FMMVRPSASVPOOQ-UHFFFAOYSA-N	223.169	2.183	70	20	BEID	
CCC(=O)Nc1ccc(C(=O)NC)cc1Cl	160266153	DNKCSOTUFAGJFF-UHFFFAOYSA-N	240.690	2.048	70	20	BEID	
CCCNC(=S)Nc1ccsc1	159714302	ZMFGUCPFSQXKSL-UHFFFAOYSA-N	200.332	2.445	70	20	BEID	
O=C(NC1CCCC1)N[C@H]1C=CCCC1	161429137	PXAXJDYIMOCZKB-JTQLQIEISA-N	208.305	2.337	70	20	BEID	
CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CCCNC1	160426516	IGGRLCHMJQAFCD-CHWSQXEVSA-N	238.375	2.023	70	20	BEID	
COc1cccc(CNCC2CC2)c1F	160459583	UXTIGUWATOOSKI-UHFFFAOYSA-N	209.264	2.334	70	20	BEID	
CN(C(=O)C1(C)CC1)c1ccc2c(c1)OCO2	160476052	OMKXQGJFJDFYSE-UHFFFAOYSA-N	233.267	2.178	70	20	BEID	
Cc1cccc(CN(C)C(=O)NC2CCC2)n1	160700533	HVAUYXZRZOEJMU-UHFFFAOYSA-N	233.315	2.084	70	20	BEID	
COCc1ccc([C@@H]2CCCN2C(C)=O)o1	161215625	UWBVEDHTIRVAFM-NSHDSACASA-N	223.272	2.109	70	20	BEID	
CC(C)[C@H](C)N(C)C(=O)c1ccncc1F	161387696	PXUUDTVGTWNZMF-VIFPVBQESA-N	224.279	2.337	70	20	BEID	
O=C(C(F)F)N1CC[C@@H]2CCCC[C@@H]2C1	217640608	AKUDXMSFZZBMCO-DTWKUNHWSA-N	217.259	2.290	70	20	BEID	
CCC[C@@H](O)CNC(=O)c1sccc1Cl	218187809	DHOGDBPJJMDDMR-SSDOTTSWSA-N	247.747	2.292	70	20	BEID	
OCCN[C@H]1CCSc2c(Cl)cccc21	159714741	STQCRLYUFDPXQB-JTQLQIEISA-N	243.759	2.459	70	20	BEID	
C[C@@H](C(=O)N(C)Cc1cccn1C)C1CC1	160737115	GRAWIJWQXJIJRP-SNVBAGLBSA-N	220.316	2.030	70	20	BEID	
CCC[C@H](CCc1ccccc1)NC(=O)CNC	160937494	UFVVWVVDCIASKL-CQSZACIVSA-N	248.370	2.124	70	20	BEID	
CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C)C2)CCO1	159876929	UPYCSCLRLAQSAV-YNEHKIRRSA-N	239.359	2.450	70	20	BEID	
CCCCn1ncc(NC(=O)N(C)CC)c1C	160019322	GDSSSYAKRBSFEL-UHFFFAOYSA-N	238.335	2.475	70	20	BEID	
CCCOc1ccnc(NCCOC(C)C)n1	160602135	SWONRFZDJQSUCP-UHFFFAOYSA-N	239.319	2.102	70	20	BEID	
Cc1cccc(OCCS[C@@H](C)CO)c1	160771097	UIDIVFMDAJWYGK-NSHDSACASA-N	226.341	2.488	70	20	BEID	
COC(CN(C)Cc1cc2ccccc2o1)OC	161369896	MBRUTGWELXAKET-UHFFFAOYSA-N	249.310	2.484	70	20	BEID	
C[C@@H]1CCCC[C@@H]1OCCS(=O)(=O)Cl	112155163	BBSAUENVZIJLSN-BDAKNGLRSA-N	240.752	2.150	70	20	BEID	
CCn1ccnc1CN1CCC[C@H](C)C1	160672750	OVUNMLGTYNGZFZ-NSHDSACASA-N	207.321	2.135	70	20	BEID	
C[C@]1(O)CCCN(c2ccncc2Cl)C1	160840018	SCBOYZPDXLLSFV-NSHDSACASA-N	226.707	2.086	70	20	BEID	
C[C@H](CCO)CNC/C=C\c1ccccc1	218033343	YYRLVSBLRXHPSE-DMTLFAOVSA-N	219.328	2.308	70	20	BEID	
CC1(C)[C@H]2CC[C@@H](S(=O)(=O)Cl)[C@H]1C2	307656746	YZVUYPLNFAMNDQ-XLPZGREQSA-N	222.737	2.380	70	20	BEID	
COc1ccc(N(C)C(=O)[C@H]2C[C@H]2C)cc1F	159540545	HLUALQRAJMZKLZ-SCZZXKLOSA-N	237.274	2.453	70	20	BEID	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)CCN	159755744	NPVAZSJRSPRQGA-AWEZNQCLSA-N	234.343	2.191	70	20	BEID	
CC[C@H](C)[C@H](C)NCc1ccnn1CC	160131879	YZWQBVASDLGLJK-QWRGUYRKSA-N	209.337	2.427	70	20	BEID	
CC(C)c1nc(N(C)C)nc(N2CCC[C@H]2C)n1	160194384	FOUBYISIEDVDNZ-SNVBAGLBSA-N	249.362	2.050	70	20	BEID	
Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(C)n1	160276488	NFZJSPRKMZCTPC-QWHCGFSZSA-N	247.342	2.463	70	20	BEID	
CC(C)c1ccc(C(=O)NC2CC2)cn1	160922979	LVOOYLFLGGZZKI-UHFFFAOYSA-N	204.273	2.097	70	20	BEID	
Cc1ccsc1C(=O)N[C@@H]1CCC[C@H](N)C1	160964886	UHEYAGJJMAWSBZ-VHSXEESVSA-N	238.356	2.056	70	20	BEID	
C[C@H](N[C@H]1CCCC[C@@H]1O)c1cscn1	161199083	JQXBHYOYZBRUHQ-QXEWZRGKSA-N	226.345	2.097	70	20	BEID	
CS[C@H](C)CNC(=O)c1ccncc1Cl	159401667	LOBGZNINAUUPLH-SSDOTTSWSA-N	244.747	2.216	70	20	BEID	
CC(C)(C(=O)NCCn1cccn1)C1CCCC1	161041348	WAKAUWCAXBNOMN-UHFFFAOYSA-N	249.358	2.216	70	20	BEID	
COc1ccnc(N[C@@H](C)C2CCC2)n1	160071578	CTKLIGXAJXRHKM-QMMMGPOBSA-N	207.277	2.086	70	20	BEID	
CC[C@@H](C)N(C)CCN[C@@H](C)C1(C)CC1	160136079	PHXDHPWVIGYQRI-NEPJUHHUSA-N	212.381	2.495	70	20	BEID	
C[C@H](c1ccc(F)cc1)N(C)Cc1nncn1C	160727973	WZBAKSCOPMTJPG-SNVBAGLBSA-N	248.305	2.147	70	20	BEID	
Cc1ncsc1CCS[C@H](C)CO	160743895	NRAXJBKOODWOAR-SSDOTTSWSA-N	217.359	2.108	70	20	BEID	
CNCCNCc1csc2ccccc12	161253777	GRHNKSKPHLSGRG-UHFFFAOYSA-N	220.341	2.210	70	20	BEID	
CCC[C@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161336950	LMTYCKCBLLMSIR-UWVGGRQHSA-N	237.347	2.202	70	20	BEID	
CCc1nc(CN(C)OCc2ccccc2)no1	159624853	XCIRVUUTOJADRS-UHFFFAOYSA-N	247.298	2.196	70	20	BEID	
CCC(C)(C)C(=O)N(C)Cc1cccn1C	160482437	AGHJNMFGWRHRRC-UHFFFAOYSA-N	222.332	2.420	70	20	BEID	
CC(C)(C)CCCNC(=O)CC1(N)CCC1	160540148	WBROMTCCRRICOJ-UHFFFAOYSA-N	226.364	2.200	70	20	BEID	
COc1cc(NC(=O)C2CC2)ccc1F	160557073	FSJPLUOHAWMBIG-UHFFFAOYSA-N	209.220	2.183	70	20	BEID	
CC(C)CCO[C@H](C)C(=O)NC1CC=CC1	160841075	FGXNDGCKZFUTPQ-LLVKDONJSA-N	225.332	2.272	70	20	BEID	
COC[C@H](N[C@H]1CCC[C@H](N(C)C)C1)C(C)C	161105571	GAFVXZXCPXCIJJ-IHRRRGAJSA-N	242.407	2.120	70	20	BEID	
CC(C)C[C@H](CO)N[C@H](C)c1cscn1	161164033	ACYHWHWHTWHNBD-NXEZZACHSA-N	228.361	2.201	70	20	BEID	
CC(C)CCOCCNC(=O)NC1(C)CCC1	160226017	MCTUZZUBLAEIEF-UHFFFAOYSA-N	242.363	2.291	70	20	BEID	
Cn1cnnc1CN(Cc1cccs1)C1CC1	160758113	JLNSTMGQVLQVKM-UHFFFAOYSA-N	248.355	2.041	70	20	BEID	
Cc1noc(C)c1Cn1cnc(C(C)C)cc1=O	160825858	USFZNLNVUHUNJO-UHFFFAOYSA-N	247.298	2.020	70	20	BEID	
CCCn1c(C)nnc1CN1C[C@H]2CCC[C@@H]2C1	161024444	PLRAJGDMLYKIQW-CHWSQXEVSA-N	248.374	2.228	70	20	BEID	
O=S(=O)(Cl)C1=Cc2cc(F)ccc2OC1	100645338	JCLOOGHACKCHEG-UHFFFAOYSA-N	248.662	2.128	70	20	BEID	
CS[C@@H](C)CNC(=O)c1ccncc1Cl	159401529	LOBGZNINAUUPLH-ZETCQYMHSA-N	244.747	2.216	70	20	BEID	
CC(C)c1cc(N[C@@]2(C)CCOC2)ncn1	160073358	RBHLOFLXWGZXJM-LBPRGKRZSA-N	221.304	2.191	70	20	BEID	
O=C(c1ccc(C(F)(F)F)cn1)N1CCCC1	161096325	CJVSQZZUWCSDRZ-UHFFFAOYSA-N	244.216	2.336	70	20	BEID	
CCc1ncc(NC(=O)NCC2(C)CCC2)cn1	161142306	SREKWVIUHXZGBB-UHFFFAOYSA-N	248.330	2.351	70	20	BEID	
C[C@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl	161149933	ZJSAIKJCTYHHAW-NKWVEPMBSA-N	244.697	2.004	70	20	BEID	
CCCN(CC)CCN[C@H]1CS[C@@H](C)C1	217645734	OAFQQEZFCSIKFT-NWDGAFQWSA-N	230.421	2.202	70	20	BEID	
CC(C)N(CC(F)F)C(=O)c1cccc(F)n1	159687191	BWHGOTBVTKRBJF-UHFFFAOYSA-N	246.232	2.336	70	20	BEID	
C[C@H](CO)SCc1cccc(F)c1	160726354	LUQQZNMWIFYTBW-MRVPVSSYSA-N	200.278	2.440	70	20	BEID	
COC(=O)[C@H](Sc1ccncc1)C(C)C	159883318	INUYBSFKOKHAQD-SNVBAGLBSA-N	225.313	2.371	70	20	BEID	
COCCSCc1ccc(C(=O)OC)s1	159693162	JGFQTQFGDXBTRF-UHFFFAOYSA-N	246.353	2.414	70	20	BEID	
Cc1cnccc1CNC1CCSCC1	160594684	CGPKDLONCWQCJO-UHFFFAOYSA-N	222.357	2.375	70	20	BEID	
Cc1nnc2c(N[C@@H](C)C3CCC3)nccn12	159995804	TZNUZYWEUXOERQ-QMMMGPOBSA-N	231.303	2.033	70	20	BEID	
CCN(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	159461095	ZDIURVDBDRBVQU-LLVKDONJSA-N	242.363	2.195	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)CCC1CCC1	160894561	UXUIZCLIXNLVCD-LBPRGKRZSA-N	227.348	2.090	70	20	BEID	
Cc1cc(Cl)cc(S(=O)(=O)Cl)c1O	104542332	MGAJWIHTBHDEBF-UHFFFAOYSA-N	241.095	2.282	70	20	BEID	
COc1cc(NCc2cnn(C)c2)ccc1F	159951982	VVAVQDHLDWOKMW-UHFFFAOYSA-N	235.262	2.180	70	20	BEID	
CCC(=O)NCCCSCC(C)C	160872889	KSTOEDQVFWXLRE-UHFFFAOYSA-N	203.351	2.292	70	20	BEID	
CC(C)c1ncc(C(=O)Nc2cc[nH]n2)s1	161063782	IVRRMDHJZHFTJL-UHFFFAOYSA-N	236.300	2.242	70	20	BEID	
CCCC[C@@H](COC)NC(=O)NC1(C)CCC1	161379148	FMFAVVZKKQHYHJ-NSHDSACASA-N	242.363	2.433	70	20	BEID	
C[C@@H](NC(=O)C(F)F)c1ccc(F)cc1	217597903	ANZZYYWELUQGRO-ZCFIWIBFSA-N	217.190	2.268	70	20	BEID	
Cc1cc(C(=O)N2[C@H](C)COC[C@H]2C)oc1C	160638797	HKVYYVYTTCPUBC-NXEZZACHSA-N	237.299	2.146	70	20	BEID	
CCOCCCn1cnc2c1CCCC2	160721435	KKLWVDHPVCWZFM-UHFFFAOYSA-N	208.305	2.189	70	20	BEID	
CCc1ccc(/C=C/C(=O)Nc2nonc2C)o1	159600099	LCKLRTSLUOMGNW-VOTSOKGWSA-N	247.254	2.185	70	20	BEID	
CCc1nn(C)cc1CNc1ccc(F)cn1	159738548	AUJVIBBDBPTNLW-UHFFFAOYSA-N	234.278	2.129	70	20	BEID	
C[C@@H](CC1CC1)NC(=O)N(C)Cc1cccn1C	160410135	WXHKFSCGLHCZID-NSHDSACASA-N	249.358	2.355	70	20	BEID	
CCCC1(CNC(=O)c2c(C)nn(C)c2C)CC1	160767658	SOPFNUGLBHTJEU-UHFFFAOYSA-N	249.358	2.347	70	20	BEID	
CC(C)C[C@H]1CCN(C(=O)CCNC(C)C)C1	159610679	MSOZXBWKVPGZBH-CYBMUJFWSA-N	240.391	2.269	70	20	BEID	
Cc1nc(SCCn2ccnc2)oc1C	160077466	BMUJJQOTBMDHRB-UHFFFAOYSA-N	223.301	2.280	70	20	BEID	
C[C@]1(O)CCCN(c2ncccc2Cl)C1	160845589	IVDWMDWMGZWGLR-NSHDSACASA-N	226.707	2.086	70	20	BEID	
Cc1nc(O)ccc1C(=O)N[C@@H]1CCC[C@H]1C	161441313	AGNWSMHAEMAFPF-LDYMZIIASA-N	234.299	2.014	70	20	BEID	
CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCCNC2)C1	160777543	QIBKSHTZDOFFON-OCCSQVGLSA-N	238.375	2.025	70	20	BEID	
CC[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C	160905139	NSIRORIJSMHRKF-YUTCNCBUSA-N	246.354	2.128	70	20	BEID	
CCC[C@]1(C)CCCN(C(=O)[C@@H](N)CC)C1	160934378	SCKJRQVYFIWNJW-WCQYABFASA-N	226.364	2.153	70	20	BEID	
CC(C)CCCNC(=O)c1ccncc1F	161388060	IQSZTCYWNAQQCQ-UHFFFAOYSA-N	224.279	2.387	70	20	BEID	
Cc1cccc(C(=O)Nc2ccn(C)n2)c1F	161422342	PSFWRIYFUHOUKJ-UHFFFAOYSA-N	233.246	2.120	70	20	BEID	
CCCCCN(C(=O)N[C@@H]1CCOC1)C(C)C	159467532	TYTTUXHPPQFWKD-GFCCVEGCSA-N	242.363	2.386	70	20	BEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(C)Cc1ccco1	160835167	AFJAADFTDJMVLC-MFKMUULPSA-N	249.310	2.243	70	20	BEID	
O=C(NC1CC=CC1)c1c(F)cccc1F	160920386	ILIWEACJGVKVQQ-UHFFFAOYSA-N	223.222	2.413	70	20	BEID	
CCOCCCN1CCC[C@H](c2ccn[nH]2)C1	159433400	FEQZPIRLYUQIQD-LBPRGKRZSA-N	237.347	2.016	70	20	BEID	
COC(=O)CCCN(C)OCc1ccccc1	159592692	SDCRFUBLLXMWLQ-UHFFFAOYSA-N	237.299	2.003	70	20	BEID	
Cc1cnc(N[C@H]2CCO[C@H](C3CC3)C2)nc1C	160392662	YVJWOPVELRZOMD-STQMWFEESA-N	247.342	2.463	70	20	BEID	
CCCN(C)C(=O)Nc1ccc(C)nc1	161456907	SQVRRJLWDCMXAF-UHFFFAOYSA-N	207.277	2.264	70	20	BEID	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C(C)(C)N	160903032	DKFMDNXGWFYDQV-DGCLKSJQSA-N	246.354	2.128	70	20	BEID	
C[C@H]1CCC[C@@H](C)[C@@H]1S(=O)(=O)Cl	252217026	XYQZHSYYMNCZQP-JIGDXULJSA-N	210.726	2.380	70	20	BEID	
C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](C)O	159365591	JOCOCKDZRYQLJY-ZJUUUORDSA-N	211.280	2.199	70	20	BEID	
CCO[C@H](C)C(=O)OCc1nc(C)sc1C	160171980	IOCJKKNPLRJGJH-SSDOTTSWSA-N	243.328	2.228	70	20	BEID	
CCc1ncnc(N[C@@H]2CCC[C@H]2OC)c1F	160488519	WQWMBBJKWHMJEX-NXEZZACHSA-N	239.294	2.158	70	20	BEID	
Cc1ccc(CN(C)C[C@H]2CCCN(C)C2)o1	161289966	BUWVMTGGUTXDLX-ZDUSSCGKSA-N	236.359	2.362	70	20	BEID	
C[C@@H](c1ccc(F)cc1)N(C)Cc1nncn1C	160727879	WZBAKSCOPMTJPG-JTQLQIEISA-N	248.305	2.147	70	20	BEID	
CCC(C)(CC)C(=O)N1CCO[C@@H](C)[C@H]1C	159480061	PAKOLJWHUWPRES-MNOVXSKESA-N	227.348	2.449	70	20	BEID	
COCC(C)(C)C(=O)Nc1ccc(O)c(C)c1	161099644	YFYOBNKPQKOXPK-UHFFFAOYSA-N	237.299	2.312	70	20	BEID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@@]1(C)CC	160484086	JPDQPDTTXZRNEY-ZYHUDNBSSA-N	226.364	2.056	70	20	BEID	
Cc1ccc([C@@H](C)N(C)Cc2nncn2C)cc1	160796089	BSOPEFOXCJLNIN-GFCCVEGCSA-N	244.342	2.317	70	20	BEID	
CC(C)C[C@H](C)NC(=O)NCCn1cccc1	159938099	MFVHGLLKMGYLSX-LBPRGKRZSA-N	237.347	2.222	70	20	BEID	
CS[C@H](C)CC(=O)Nc1cccc(C)n1	159751092	OFMVJNTYIBDCEF-SECBINFHSA-N	224.329	2.470	70	20	BEID	
CCc1nnc(NC(=O)C[C@@H](C)SC)s1	160745640	PSSPDHMOLWSXFA-ZCFIWIBFSA-N	245.373	2.181	70	20	BEID	
CC(C)CNC(=S)N1CC[C@H](C)[C@H](C)C1	160867839	RBMBNEHKHIJFQS-WDEREUQCSA-N	228.405	2.495	70	20	BEID	
C[C@H]1C[C@@H](C)CN1C(=O)c1cccc(F)n1	160735883	MXIXIJWAUHPYRZ-BDAKNGLRSA-N	222.263	2.091	70	20	BEID	
C[C@H](N)c1nc([C@H]2CCC[C@@H](C)C2)no1	161002574	JASYVVQIGGCVKD-VGMNWLOBSA-N	209.293	2.383	70	20	BEID	
CCNCCNCc1cccc(C)c1C	161287283	WRQPHTMKZSPDNP-UHFFFAOYSA-N	206.333	2.003	70	20	BEID	
Cc1cccc(C)c1CSCCC(N)=O	161382381	UULMZEXQSQIPNH-UHFFFAOYSA-N	223.341	2.412	70	20	BEID	
Cc1nnc(NC2C[C@H](C)O[C@@H](C)C2)s1	218093711	DBFAOGIYNLQZHD-BQBZGAKWSA-N	227.333	2.214	70	20	BEID	
CNC(=O)C(C)(C)CNc1nccc2occc12	161099630	JGSPOUCOPWQSJW-UHFFFAOYSA-N	247.298	2.012	70	20	BEID	
Cc1noc(C)c1N(C)C(=O)NCC(C)C	160160110	LOVKSVSQKCDPBN-UHFFFAOYSA-N	225.292	2.093	70	20	BEID	
Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(C)n1	160276086	NFZJSPRKMZCTPC-OLZOCXBDSA-N	247.342	2.463	70	20	BEID	
Cc1cc(C)nc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160341421	PQFNZDHMSPCULR-STQMWFEESA-N	247.342	2.463	70	20	BEID	
Cn1cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cn1	160624462	GPQVRFSTTDRRSF-JQWIXIFHSA-N	248.330	2.217	70	20	BEID	
CC[C@]1(C)CCCN(C(=O)[C@@H](N)C(C)C)C1	160778198	YRNNIEXZGDUWFK-WCQYABFASA-N	226.364	2.008	70	20	BEID	
COc1ccc(NC(=O)Nc2ncccn2)cc1	217267645	BLTYDAYPICLFFU-UHFFFAOYSA-N	244.254	2.129	70	20	BEID	
O=C(C(F)F)N1CC[C@H]2CCCC[C@H]2C1	217640865	AKUDXMSFZZBMCO-BDAKNGLRSA-N	217.259	2.290	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCCc2cccnc21	118897714	VLHJDXVNWFCBKM-MRVPVSSYSA-N	231.704	2.028	70	20	BEID	
COCC(C)(C)C(=O)N[C@H]1CCc2ccccc21	161051835	VAMOQTZRXUJXMV-ZDUSSCGKSA-N	247.338	2.463	70	20	BEID	
CC(C)CC[C@H](C)NC(=O)[C@H]1CCCCO1	159564026	ONDUQODRRZKBRU-NWDGAFQWSA-N	227.348	2.496	70	20	BEID	
O=S(=O)(F)c1cc(Br)cs1	105423677	YBBISHJKDPHLQH-UHFFFAOYSA-N	245.094	2.169	70	20	BEID	
C[C@]1(NC(=S)Nc2ccccc2)CCOC1	160042202	SKRRMCZLAVJWRB-LBPRGKRZSA-N	236.340	2.152	70	20	BEID	
CCCC(=O)NC[C@H]1CCCN1CC(C)C	160426601	FDCVXARZTUHQEW-GFCCVEGCSA-N	226.364	2.023	70	20	BEID	
COC(=O)N[C@@H]1CCCc2sccc21	159724202	SDVDNWQLNOCECR-MRVPVSSYSA-N	211.286	2.482	70	20	BEID	
O=C([C@H]1CCCCO1)N(C1CCCC1)C1CC1	160897602	SMBIRRPSJLDFCZ-CYBMUJFWSA-N	237.343	2.489	70	20	BEID	
CCNCCNCc1ccc(F)cc1Cl	161295930	CUOAEJJIMSQNGQ-UHFFFAOYSA-N	230.714	2.178	70	20	BEID	
CCN(CC)CC(=O)NC1[C@@H](C)CCC[C@@H]1C	217422521	RECKISPZICHUQW-RYUDHWBXSA-N	240.391	2.269	70	20	BEID	
CN(C(=O)C=C1CCC1)c1ccc2c(c1)OCO2	160631306	REGZASFKSHOGJZ-UHFFFAOYSA-N	245.278	2.488	70	20	BEID	
CCCN(CCC)C(=O)[C@@H]1CCCCO1	160769594	NXJLQKLLJVVKMK-NSHDSACASA-N	213.321	2.204	70	20	BEID	
CCCC[C@@H](C(=O)OC)N(CC)CC	160796873	LHEPJBJMGVIHSH-JTQLQIEISA-N	201.310	2.060	70	20	BEID	
CN(CC[C@@H]1CCCN1C)Cc1ccco1	161292344	YAVBXJOWCZIJRT-LBPRGKRZSA-N	222.332	2.196	70	20	BEID	
CCc1ncnc(NCc2ncc(C)o2)c1F	218054348	DTALJJIVXQVGCA-UHFFFAOYSA-N	236.250	2.087	70	20	BEID	
CC(C)C[C@H](C)NC(=O)NC[C@]1(C)CCCO1	160058091	ZFKYMJUCHFPWRY-AAEUAGOBSA-N	242.363	2.289	70	20	BEID	
Cc1cc(NC(=O)c2ocnc2C)ccc1O	159478092	XCMKUXHCYMRYKB-UHFFFAOYSA-N	232.239	2.249	70	20	BEID	
CCCNC(=S)N1CC[C@H](C)[C@@H](C)C1	160867212	ODRSKCQKULQVEK-UWVGGRQHSA-N	214.378	2.249	70	20	BEID	
CCC[C@@H](N)C(=O)N1CC[C@H](CC(C)C)C1	159611852	CQLICJFRIVETHI-VXGBXAGGSA-N	226.364	2.008	70	20	BEID	
CCOC(=O)CN(CCSCC)CC(C)C	159707875	GTTMSWJQOGSMFH-UHFFFAOYSA-N	247.404	2.261	70	20	BEID	
Cc1cnc(C)c(N[C@H]2CCO[C@H](C3CC3)C2)n1	160411325	AGXWSALSPSKTNH-STQMWFEESA-N	247.342	2.463	70	20	BEID	
CCCC[C@H](CC)CC(=O)N1CCCNCC1	160844916	LMVPCZSZRIXYLT-ZDUSSCGKSA-N	240.391	2.415	70	20	BEID	
C[C@@]1(O)CCCN(c2ncccc2Cl)C1	160845734	IVDWMDWMGZWGLR-LLVKDONJSA-N	226.707	2.086	70	20	BEID	
C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	160893427	FVMNZLSPRBJULV-VXGBXAGGSA-N	248.326	2.311	70	20	BEID	
Cc1ccc(CN(C)C[C@@H]2CCCN(C)C2)o1	161289836	BUWVMTGGUTXDLX-CYBMUJFWSA-N	236.359	2.362	70	20	BEID	
Cc1cc(NC(=O)C2CCCCC2)c[nH]c1=O	159399670	FTOBFDIYZMVJNX-UHFFFAOYSA-N	234.299	2.202	70	20	BEID	
CC(C)n1cccc1C(=O)N1CCCC1	160599100	FAITUIIAFZLVPY-UHFFFAOYSA-N	206.289	2.305	70	20	BEID	
Cc1cc(C(=O)Nc2ccc(F)cc2C)ncn1	161210573	MASNILLRJQXDCC-UHFFFAOYSA-N	245.257	2.485	70	20	BEID	
COc1cccc(CSCc2nncn2C)c1	161043011	SHZDANLWHHYTHK-UHFFFAOYSA-N	249.339	2.257	70	20	BEID	
CCC[C@@H]1CCCN(C(=O)C[C@@H]2CCCN2)C1	161448199	VMJUVFKUDRQMDC-OLZOCXBDSA-N	238.375	2.167	70	20	BEID	
Cc1cnccc1NC(=O)NC1CCC1	218181470	QBGALQFGZATPIF-UHFFFAOYSA-N	205.261	2.064	70	20	BEID	
C[C@H](c1ccccc1)N(C)S(=O)(=O)Cl	106904277	JVXUYDNLLMHMHS-MRVPVSSYSA-N	233.720	2.163	70	20	BEID	
CC1(C)C[C@@H]1C(=O)N(C[C@H]1CCOC1)C1CC1	161234792	PYYUYAKJOHPLQZ-ZYHUDNBSSA-N	237.343	2.060	70	20	BEID	
COc1ccnc(C(=O)NCC2(C3CC3)CC2)c1	160022207	NRRHVOSCKUMJDE-UHFFFAOYSA-N	246.310	2.010	70	20	BEID	
C[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)C1CC1	161266090	ITMMGYAIAIRWQI-ONGXEEELSA-N	240.347	2.042	70	20	BEID	
C[C@H]1CCC[C@@H](CNc2ccc(C(N)=O)cn2)C1	217927460	SQKCJPOSXNHEED-WDEREUQCSA-N	247.342	2.419	70	20	BEID	
CC[C@H](C)OCC(=O)NCC1(C2CC2)CC1	159784621	MZCMRCYNEFXWAB-JTQLQIEISA-N	225.332	2.108	70	20	BEID	
CCOCCN(CC)C(=O)NCC(CC)CC	160567492	HLMFPWPYGXXHTQ-UHFFFAOYSA-N	244.379	2.491	70	20	BEID	
CCN(CC)C(=O)N1CC[C@H](C)[C@@H](C)C1	160898684	IKYYBZXZGGOVQQ-QWRGUYRKSA-N	212.337	2.426	70	20	BEID	
CC[C@@H](CCO)CN[C@@H](C)c1cscn1	161221200	YEMOIERIDUNENU-UWVGGRQHSA-N	228.361	2.202	70	20	BEID	
COC[C@H](N[C@H](C)c1cscn1)C(C)C	161211575	HXKMGMQGRVZSBW-ZJUUUORDSA-N	228.361	2.465	70	20	BEID	
CCCC[C@H](SC[C@H](C)CO)C(=O)OC	160802184	OZMPVXVDRMDSEZ-ZJUUUORDSA-N	234.361	2.080	70	20	BEID	
Cc1cc(C(=O)Nc2ccc(F)cc2F)ncn1	161171947	XCZSIWNCRVKKBB-UHFFFAOYSA-N	249.220	2.316	70	20	BEID	
O=C1CC(C(=O)N[C@@H]2CCCc3sccc32)C1	160097994	MNMUWJYLRXEICZ-LLVKDONJSA-N	249.335	2.221	70	20	BEID	
CCCn1nccc1CNc1cccnc1OC	160050897	BWSFTYLKHJAMFA-UHFFFAOYSA-N	246.314	2.309	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnn(C)c1C	159613628	IGAXPQHKGMTSRC-PWSUYJOCSA-N	235.331	2.037	70	20	BEID	
C[C@@H](NC(=O)C(F)F)c1cccs1	217641558	SYTGGQIANBCGIW-RXMQYKEDSA-N	205.229	2.190	70	20	BEID	
CCc1ccc([C@@H](C)NCC(C)(C)O)o1	160659834	GHLMGAAMQZISMJ-SECBINFHSA-N	211.305	2.264	70	20	BEID	
O=S(=O)(Cl)CCC(F)(F)C1CCC1	258159469	YBUPAUHYUDMBNZ-UHFFFAOYSA-N	232.679	2.381	70	20	BEID	
CC(C)(CNC(=O)CCCN)Cc1ccccc1	161077059	IFUZLJSTMWWYEH-UHFFFAOYSA-N	248.370	2.110	70	20	BEID	
CCOCCN[C@H](C)c1ncc(C)s1	159770661	JMZMACADAPCARP-SECBINFHSA-N	214.334	2.139	70	20	BEID	
CC(C)(C)C(=O)CSCCn1ccnc1	160161240	NRHXSQCFWTZTPN-UHFFFAOYSA-N	226.345	2.232	70	20	BEID	
C/C(=C/c1ccccc1)CN1CCC[C@@H]1C(N)=O	160342407	BMCWZDGDNXPLMY-GAJOTYCWSA-N	244.338	2.040	70	20	BEID	
C[C@@H](NC[C@H]1CCCCO1)c1cscn1	161171885	YJUJIOGTQFYETN-NXEZZACHSA-N	226.345	2.363	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCOC(C)C	159601521	YUANXJSFELECOF-NEPJUHHUSA-N	227.348	2.496	70	20	BEID	
CCCC1(CNC(=O)c2cccnc2O)CC1	160615360	DOZJXHCCTCGHKT-UHFFFAOYSA-N	234.299	2.097	70	20	BEID	
Cc1csc(-c2cccc(C(N)=O)c2)n1	160641914	YPICRLDZNJGRNE-UHFFFAOYSA-N	218.281	2.217	70	20	BEID	
CCc1nccn1C[C@H]1CCC(C)(C)O1	161036532	JMPAVQHALZECQP-SNVBAGLBSA-N	208.305	2.403	70	20	BEID	
O=C(Nc1ncc(Cl)s1)[C@@H]1CCCCO1	159730382	UWQDPVPJSUAMAS-LURJTMIESA-N	246.719	2.304	70	20	BEID	
CS[C@@H](C)CC(=O)Nc1cc(C)ccn1	159739681	ACUATSDPBCFRNP-VIFPVBQESA-N	224.329	2.470	70	20	BEID	
COc1cccnc1NCCc1cscn1	160234676	YIJIKNPKDDMEPN-UHFFFAOYSA-N	235.312	2.201	70	20	BEID	
CC[C@H](N)C(=O)N[C@H](C)c1cccc(C)c1C	160835036	MFPHHCGMEVFVPJ-YPMHNXCESA-N	234.343	2.218	70	20	BEID	
COc1ccc(S(=O)(=O)F)c(Cl)c1	105408196	KHVNRLKAOXCOCS-UHFFFAOYSA-N	224.640	2.007	70	20	BEID	
C[C@H]1CCN(C(=O)NCC(F)(F)F)C[C@@H]1C	160046827	LEAJGPZEEHYJPW-YUMQZZPRSA-N	238.253	2.236	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)NCc1cccnc1OC	160997413	LVRMLWOQEYBYBY-SMDDNHRTSA-N	248.326	2.143	70	20	BEID	
CC(C)n1nc(-c2cccnc2)cc1N	217647728	SWOOPLIGZPPGJO-UHFFFAOYSA-N	202.261	2.108	70	20	BEID	
CC[C@H](NCCN(C)[C@@H](C)CC)C1CC1	160143625	IWXHHJDFPZQCJC-AAEUAGOBSA-N	212.381	2.495	70	20	BEID	
COC(CN(C)CCCc1ccccc1)OC	160561387	LECDXISVMPAGRQ-UHFFFAOYSA-N	237.343	2.170	70	20	BEID	
CCc1nnc(NC(=O)[C@H]2CC2(C)C)s1	160341031	HZANLZCBPOWGSF-ZCFIWIBFSA-N	225.317	2.085	70	20	BEID	
CC[C@]1(C)CCCN(C(=O)CCNC(C)C)C1	160776314	CANIAAZBLNKQLI-CQSZACIVSA-N	240.391	2.413	70	20	BEID	
COC(=O)[C@@H](NC1CC=CC1)c1ccccc1	160896420	OXGFKULWAUGADF-ZDUSSCGKSA-N	231.295	2.209	70	20	BEID	
Cc1ccc(F)c(NC(=O)c2cc(C)ncn2)c1	161320861	ABEXLWRKDYKACV-UHFFFAOYSA-N	245.257	2.485	70	20	BEID	
Cc1ccc(C(N)=O)cc1OCc1nccs1	161324291	DUWNMSVTGLAUMU-UHFFFAOYSA-N	248.307	2.129	70	20	BEID	
COc1ccc2nc(C)cc(C(=O)N(C)C)c2c1	159817039	DXKOCDCODOZKIP-UHFFFAOYSA-N	244.294	2.254	70	20	BEID	
C[C@H]1CCC[C@H](OCC(=O)NC2CC=CC2)C1	161013826	QGZRUCSBBKMQJU-AAEUAGOBSA-N	237.343	2.417	70	20	BEID	
Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CC=CCC2)n[nH]1	161363223	KIVVUTGSYRPBDE-ZYHUDNBSSA-N	247.342	2.122	70	20	BEID	
Cc1ccccc1[C@H](NC(=O)[C@H](C)N)C(C)C	159689067	ZBQHHPPZXXYUNS-WCQYABFASA-N	234.343	2.156	70	20	BEID	
CC1(C)C[C@H]1C(=O)Nc1cccc2c1OCCO2	159997721	BDLHLLDCIFSDRA-VIFPVBQESA-N	247.294	2.442	70	20	BEID	
CC[C@H](NC(=O)C1CC1)c1c(C)noc1C	160623139	JPKWQCGLNQBNEI-JTQLQIEISA-N	222.288	2.269	70	20	BEID	
CC[C@H](CO[C@H](C)CC)CS(=O)(=O)Cl	114433429	SGFYGWFJSJYBMR-RKDXNWHRSA-N	242.768	2.396	70	20	BEID	
CCOC(CN(C)[C@@H](CC)CSC)OCC	159669173	UMQOXYUOKHWHAF-NSHDSACASA-N	249.420	2.459	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccco1	159798452	AIKCMJXBQYIAQP-YPMHNXCESA-N	221.300	2.375	70	20	BEID	
CCCC[C@@H](NC(=O)[C@@H](N)CC)C1CCC1	160781057	AGURBFVPXCTILX-NWDGAFQWSA-N	226.364	2.199	70	20	BEID	
O=C(N[C@H]1CCCc2occc21)[C@H]1CCCCO1	161464408	SBKXTSCVLFULHF-WCQYABFASA-N	249.310	2.342	70	20	BEID	
CCCC[C@H](N[C@H](C)C(C)C)C(=O)OC	218057485	YQRWUJMGTKGWGQ-MNOVXSKESA-N	215.337	2.352	70	20	BEID	
CCC(CC)CN1CCC(CC(N)=O)CC1	159836582	XWBRYUOODWCRKD-UHFFFAOYSA-N	226.364	2.010	70	20	BEID	
CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C	160905285	NSIRORIJSMHRKF-UBHSHLNASA-N	246.354	2.128	70	20	BEID	
C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCOC2(CCCC2)C1	160049464	VYOVNFFTHUIKGW-UTUOFQBUSA-N	237.343	2.250	70	20	BEID	
CCCc1nc(Cn2cnc3c2CCCC3)no1	160720804	FAAYPMZRBIQNJD-UHFFFAOYSA-N	246.314	2.146	70	20	BEID	
C[C@H](Cc1ccc(O)cc1)NC(=O)C(C)(C)F	160738718	XKBBZLAAOWJEQN-SECBINFHSA-N	239.290	2.188	70	20	BEID	
CCCC[C@H](NC(=O)[C@@H](N)CC)C1CCC1	160780942	AGURBFVPXCTILX-RYUDHWBXSA-N	226.364	2.199	70	20	BEID	
N[C@H]1CCC[C@H](NC(=O)CCC2CCCC2)C1	161198694	FTOOYBCZMBNPCX-STQMWFEESA-N	238.375	2.343	70	20	BEID	
CCc1c(Cl)ncnc1N[C@H](CC)CCO	218141948	PMKHIOJUDGCQLR-MRVPVSSYSA-N	243.738	2.265	70	20	BEID	
CCc1cccc(NC(=O)NC2CCNCC2)c1	218608208	REAZRYSBFZBOMH-UHFFFAOYSA-N	247.342	2.123	70	20	BEID	
C[C@@H]1CN(C(=O)N2CCCCCC2)CCCO1	160534435	APAIXHCXCJSYGU-GFCCVEGCSA-N	240.347	2.093	70	20	BEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccnn1C	160811612	KFQOSNPVPBCYHD-NEPJUHHUSA-N	249.358	2.461	70	20	BEID	
CC[C@H](O)CCNc1ccnc(Cl)c1	217818646	PEZSKVQANFALPJ-VIFPVBQESA-N	214.696	2.308	70	20	BEID	
CCC[C@@H](C(=O)NC[C@@H](C)CCO)C(C)C	160055192	MCYAJWYGXVYXIP-NWDGAFQWSA-N	229.364	2.193	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)C(C)C	160229450	WQYQXUHQWDMWAB-WDEREUQCSA-N	243.347	2.127	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cccnc1	159523423	KQBHOIYPTFCZAJ-JQWIXIFHSA-N	218.300	2.390	70	20	BEID	
CCOC(=O)[C@@H](C)SCC(=O)OC(C)(C)C	160983938	LJTLVPHWRYNPSO-MRVPVSSYSA-N	248.344	2.013	70	20	BEID	
C[C@H]1CCC[C@H](CNC2(CO)CCC2)C1	161250467	PTEXGYCDUADCRI-RYUDHWBXSA-N	211.349	2.317	70	20	BEID	
CS[C@@H](C)CN[C@@H](C)C(=O)OC(C)(C)C	159598315	HBDVHRKBDQVCMM-IUCAKERBSA-N	233.377	2.058	70	20	BEID	
COCCN1CCC[C@H]1c1cccc(C)n1	159729602	UUJVCFPZWATFGD-ZDUSSCGKSA-N	220.316	2.173	70	20	BEID	
COc1ccc2c(c1)[C@@H](S(=O)(=O)Cl)CC2	261322052	GXDJWOZNZSYVHN-JTQLQIEISA-N	246.715	2.251	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccc[nH]1	159827497	XVIINMHMCHNVTG-NXEZZACHSA-N	206.289	2.323	70	20	BEID	
COc1ccc(CN(C)Cc2ccnn2C)cc1	159865301	GDCTUFCZPDXEPX-UHFFFAOYSA-N	245.326	2.061	70	20	BEID	
CCc1ccccc1C(=O)NCc1c[nH]nc1C	160116435	QNNSLBLUBCCIIL-UHFFFAOYSA-N	243.310	2.211	70	20	BEID	
CCCCN(CC)C(=O)[C@@H]1CCCCO1	160610986	FDJQIWUBAQBSKW-NSHDSACASA-N	213.321	2.204	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)[C@H]1CCC[C@H](C)C1	160902867	MZOWHBSEEBZWSK-AVGNSLFASA-N	241.375	2.336	70	20	BEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cccn1	161276897	HNGWBPWGHLJBIS-OLZOCXBDSA-N	249.358	2.310	70	20	BEID	
C[C@H]1CC(C)(C)C[C@@H]1S(=O)(=O)Cl	235551512	GPTVHQAIOPCLDX-BQBZGAKWSA-N	210.726	2.380	70	20	BEID	
CC(C)(COCC1CC1)CS(=O)(=O)Cl	114433412	SMEREWFIJSERTL-UHFFFAOYSA-N	240.752	2.008	70	20	BEID	
Cc1ccc(NC(=O)c2ocnc2C)cc1O	159476825	JIICQKMTJICALY-UHFFFAOYSA-N	232.239	2.249	70	20	BEID	
OC[C@H]1CCCCN1CCC1CCCC1	159947064	FSNVBXRKQWCLBB-CYBMUJFWSA-N	211.349	2.414	70	20	BEID	
C[C@@H](CC(=O)N(C)[C@H](C)CO)C1CCCCC1	160416001	IOHMSPMTNSYIGW-NWDGAFQWSA-N	241.375	2.432	70	20	BEID	
CCN(CC)C(=O)N1CC[C@@H](C)[C@@H](C)C1	160898802	IKYYBZXZGGOVQQ-MNOVXSKESA-N	212.337	2.426	70	20	BEID	
CCOC(=O)[C@@H](SCCO)c1ccccc1	217697170	AHGLHXXKHIKXJL-NSHDSACASA-N	240.324	2.016	70	20	BEID	
C[C@H](CO)SCCCOCC(F)(F)F	160729985	ONBNIVMLSVEKNO-SSDOTTSWSA-N	232.267	2.069	70	20	BEID	
O=S(=O)(Cl)C1=Cc2cccc(F)c2OC1	100645334	PLCMWMKZRKDVIP-UHFFFAOYSA-N	248.662	2.128	70	20	BEID	
CCONC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	159592906	XKQHLWPADYCPPO-DTWKUNHWSA-N	241.237	2.136	70	20	BEID	
C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cccc(O)c1	159699566	ZSKNXRXUTHHQNK-GBIKHYSHSA-N	249.310	2.137	70	20	BEID	
CC(C)c1cc(C(=O)NCC2(C3CC3)CC2)n[nH]1	160110017	DPZKURUXEFIIJU-UHFFFAOYSA-N	247.342	2.453	70	20	BEID	
O=[S@@](Cc1nccs1)c1ccccc1	160627551	FAUZUDHRTUZRRK-CQSZACIVSA-N	223.322	2.451	70	20	BEID	
CCCC1(CNC(=O)CCCn2ccnc2)CC1	160651695	QBNNXVFABPBBDF-UHFFFAOYSA-N	249.358	2.360	70	20	BEID	
CC(C)c1noc(Cn2cnc3c2CCCC3)n1	160720383	SABVIFGUTNCILA-UHFFFAOYSA-N	246.314	2.317	70	20	BEID	
CCNCCNCc1cc(C)ccc1C	161287141	XXJLXUACZXBKPK-UHFFFAOYSA-N	206.333	2.003	70	20	BEID	
CCCCOCCNC(=O)C[C@@H](C)SC	161403180	ZMHGCWZGXRIYDK-SNVBAGLBSA-N	233.377	2.061	70	20	BEID	
CCc1ncnc(NCc2ccc(C)nc2)c1F	217977326	YIGDMTYQPCDHGG-UHFFFAOYSA-N	246.289	2.494	70	20	BEID	
CCC(=O)Nc1ccccc1-c1nc(CC)n[nH]1	161345218	YTOLWCQNJFAOPO-UHFFFAOYSA-N	244.298	2.383	70	20	BEID	
C[C@H](CC(=O)NCCC1CC1)c1ccncc1	160886621	KPCFJBVXPMWLAW-LLVKDONJSA-N	232.327	2.492	70	20	BEID	
Cc1ccccc1OCCCS(=O)(=O)Cl	100495518	QNAZAJFLKNEBJK-UHFFFAOYSA-N	248.731	2.333	70	20	BEID	
Cc1ccc(C)c(OCCS(=O)(=O)Cl)c1	103977053	TXTKBUHUGXVIEK-UHFFFAOYSA-N	248.731	2.251	70	20	BEID	
CCCOCC(C)(C)CS(=O)(=O)Cl	114433420	DEVYGFRVRCNBLQ-UHFFFAOYSA-N	228.741	2.008	70	20	BEID	
COc1cccnc1NC[C@]1(C)CCCO1	160251604	XBHMYBYBFSWLJN-LBPRGKRZSA-N	222.288	2.071	70	20	BEID	
CC[C@H](C)NC(=O)NCCc1cccc(O)c1	160989552	VQBZNSSQWSGBDJ-JTQLQIEISA-N	236.315	2.032	70	20	BEID	
NCCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159725060	DCAGXLBTOCKCAA-ZIAGYGMSSA-N	246.354	2.178	70	20	BEID	
Cc1cc(NC(=O)[C@@H]2CCCO2)cnc1Cl	159883058	FMRBRFQSXZEXLT-VIFPVBQESA-N	240.690	2.161	70	20	BEID	
c1nc2c(n1Cc1noc(C3CC3)n1)CCCC2	160720144	XODRYABCCVMXRW-UHFFFAOYSA-N	244.298	2.071	70	20	BEID	
CC1CCN(C(=O)c2nc(C(C)C)no2)CC1	217506392	BBHKKDJOBQPGMT-UHFFFAOYSA-N	237.303	2.065	70	20	BEID	
COc1ccc(CN(C)Cc2cc[nH]n2)cc1	159873233	HRRBWOKQHKFSCY-UHFFFAOYSA-N	231.299	2.050	70	20	BEID	
CSCC[C@H](C)NC(=O)c1cccc(F)n1	160735115	JTCXZXSIAKIGNS-QMMMGPOBSA-N	242.319	2.092	70	20	BEID	
CSCC[C@@H](C)N[C@@H]1CCCOCC1	161453831	IPRJTBLPGQRKSQ-GHMZBOCLSA-N	217.378	2.287	70	20	BEID	
CC(C)[C@@H](CO)C(=O)N[C@H](C)c1ccccc1	217437510	MOICKDQGPKLWIH-DGCLKSJQSA-N	235.327	2.128	70	20	BEID	
CC(C)NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161047767	OJSQDRWPXSEJGU-MELADBBJSA-N	244.338	2.422	70	20	BEID	
CCCC1(CNC(=O)c2ccnc(C)n2)CC1	160703185	WHVCMRPMMYOAHE-UHFFFAOYSA-N	233.315	2.095	70	20	BEID	
c1coc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159521780	SVNSCYHANHXNSE-XQQFMLRXSA-N	233.311	2.327	70	20	BEID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2C)cc1F	159540928	HLUALQRAJMZKLZ-WCBMZHEXSA-N	237.274	2.453	70	20	BEID	
COC(CN(C)[C@@H]1CCc2ccccc2C1)OC	161117962	YWOCMRCDHREVLL-CQSZACIVSA-N	249.354	2.095	70	20	BEID	
O=C(NC1CCC1)N1CCc2ccc(F)cc21	217941065	KLKLTOVKIXTAIA-UHFFFAOYSA-N	234.274	2.450	70	20	BEID	
Cc1nc(CS[C@H](C)CO)sc1C	160912832	HPPNXJHHJMLUAR-ZCFIWIBFSA-N	217.359	2.374	70	20	BEID	
C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]cnc12	159426054	LHVXFMGRVHEITB-ONGXEEELSA-N	243.310	2.481	70	20	BEID	
CC(C)=C[C@H]1[C@@H](C(=O)N(C)[C@H](C)CO)C1(C)C	160514861	ZRYGMNBUXNSBOE-WOPDTQHZSA-N	239.359	2.064	70	20	BEID	
CC(C)NCCC(=O)N1C[C@@H](C)CCC[C@H]1C	160935546	DJYYUVFOMLTIOJ-QWHCGFSZSA-N	240.391	2.412	70	20	BEID	
CC[C@H](C)[C@@H](C)NC(=O)c1ccncc1F	161400594	CFZJRIWVMKHBQR-DTWKUNHWSA-N	224.279	2.385	70	20	BEID	
COc1ccc(C)cc1[C@H](C)NC(=O)C(F)F	218684299	SJFPDEIWFUUXII-QMMMGPOBSA-N	243.253	2.446	70	20	BEID	
CC[C@@H](N)c1nc(-c2ccoc2C)no1	160399681	UAMOKKWFQDVZOO-MRVPVSSYSA-N	207.233	2.048	70	20	BEID	
CC(C)[C@@H](CO)C(=O)N[C@@H](C)c1ccccc1	217437335	MOICKDQGPKLWIH-WCQYABFASA-N	235.327	2.128	70	20	BEID	
CC(C)NC(=S)N1CC[C@H](C)[C@H](C)C1	160868886	QKQMZJLSRXQQGP-VHSXEESVSA-N	214.378	2.247	70	20	BEID	
CNC[C@@H](C)C(=O)Nc1ncc(C(C)C)s1	160894820	LQTOFOSCELANPP-MRVPVSSYSA-N	241.360	2.061	70	20	BEID	
CCC(C)(CC)C(=O)N1CCC[C@H]([C@@H](C)O)C1	159436019	SXASGMIVVPWPFG-NEPJUHHUSA-N	241.375	2.432	70	20	BEID	
C[C@H](c1ccc(C#N)cc1)S(=O)(=O)Cl	88251391	JUFHUBYEIFGCRG-SSDOTTSWSA-N	229.688	2.188	70	20	BEID	
COc1ncc(Cl)c(N2CCCCC2)n1	159809431	NXSYQQGZVWVNNJ-UHFFFAOYSA-N	227.695	2.129	70	20	BEID	
CC(C)(N)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1	159945597	XNGVITZDUFYWJC-NEPJUHHUSA-N	238.375	2.056	70	20	BEID	
c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1	160410514	QLPXFSRXOQBGSU-NWDGAFQWSA-N	218.300	2.451	70	20	BEID	
CC(C)(C)OC(=O)CSCCCCCO	160984220	JWSYCPICFBQOHD-UHFFFAOYSA-N	234.361	2.224	70	20	BEID	
CC[C@@H](C)[C@H](C)NC(=O)c1ccncc1F	161400749	CFZJRIWVMKHBQR-BDAKNGLRSA-N	224.279	2.385	70	20	BEID	
Oc1ccc(-n2nnnc2SC2CCC2)cc1	160219164	OSUBKJOWHZMHPU-UHFFFAOYSA-N	248.311	2.013	70	20	BEID	
CCC[C@@H]1CCCN(C(=O)[C@@H](N)CC(C)C)C1	161443281	YBFUMRXUHNHRIJ-OLZOCXBDSA-N	240.391	2.399	70	20	BEID	
O=S(=O)(Cl)C[C@@H](F)C1CCCCC1	258251288	NXFBSMNWAQOLEA-MRVPVSSYSA-N	228.716	2.473	70	20	BEID	
CCc1ncnc(N[C@@H](C)CCOC)c1F	218001063	PMOGKHILKANVPQ-QMMMGPOBSA-N	227.283	2.015	70	20	BEID	
Cc1cccc(CS(=O)(=O)Cl)c1F	106897819	GFIWYRPMWQCHJQ-UHFFFAOYSA-N	222.668	2.203	70	20	BEID	
CC[C@H](NC(=O)c1ccon1)c1c(C)noc1C	160133243	CYJBYWZHBUYFCS-VIFPVBQESA-N	249.270	2.161	70	20	BEID	
COC(CN(C)Cc1ccc(C)s1)OC	160880650	UALCPULMLQOSOD-UHFFFAOYSA-N	229.345	2.107	70	20	BEID	
c1coc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159522195	SVNSCYHANHXNSE-AGIUHOORSA-N	233.311	2.327	70	20	BEID	
O=C(C(F)F)N1CCSc2ccccc21	217665309	AMIHDSUAYZFMKS-UHFFFAOYSA-N	229.251	2.390	70	20	BEID	
CCCOCC(=O)N[C@H]1CCC[C@H]1CC	159722878	ABPFKVULXBJUFG-MNOVXSKESA-N	213.321	2.108	70	20	BEID	
CS[C@@H](C)CC(=O)N(C)Cc1ccccn1	160416388	JBYFIFUKZLGSEN-JTQLQIEISA-N	238.356	2.182	70	20	BEID	
C[C@H](CO)Sc1cc(Cl)nc(C2CC2)n1	161151770	AXYXQWYTPSJJJX-ZCFIWIBFSA-N	244.747	2.480	70	20	BEID	
Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ncn1	161199674	GOYFKWBMUKXTAN-MWLCHTKSSA-N	233.315	2.094	70	20	BEID	
CC(C)CN(C)c1nc(Cl)nc2nc[nH]c12	160186087	OHBJMILPKGLMIG-UHFFFAOYSA-N	239.710	2.099	70	20	BEID	
C[C@@H](NC[C@@H]1CCCOC1)c1cscn1	161160150	SBMABHBEKLGUGY-ZJUUUORDSA-N	226.345	2.220	70	20	BEID	
CCCc1nsc(N[C@@H](CC)CCO)n1	217997180	QYNNVBZWEYRKSU-QMMMGPOBSA-N	229.349	2.064	70	20	BEID	
CCC[C@H](CC)NC(=O)N1CCC[C@](C)(O)C1	161251563	SDQNBDIYLLLJKY-AAEUAGOBSA-N	242.363	2.122	70	20	BEID	
CS[C@@H](C)CC(=O)Nc1ncccc1C	159743493	XVUFNNWIJBNGCO-VIFPVBQESA-N	224.329	2.470	70	20	BEID	
Cc1noc(C)c1CC(=O)NCC1(C2CC2)CC1	159757936	OKGKYQKLSMKMQU-UHFFFAOYSA-N	248.326	2.140	70	20	BEID	
CCNC(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@H]12	161051067	HJPMLWFUOOUKLV-AGIUHOORSA-N	230.311	2.034	70	20	BEID	
COC[C@H](C)CN[C@H](C)c1cscn1	161168772	VHCTWBWKFQKPOG-RKDXNWHRSA-N	214.334	2.076	70	20	BEID	
CC[C@@H]1CN(Cc2cnc(N)s2)CCS1	161287222	NDRNUFMTRZLWMY-MRVPVSSYSA-N	243.401	2.053	70	20	BEID	
Cc1cccc(Cl)c1S(=O)(=O)F	164863130	JFPGTYVBZNNIIH-UHFFFAOYSA-N	208.641	2.307	70	20	BEID	
CCCCO[C@H](C)C(=O)Nc1cccc(F)n1	160583870	CIPARIGIYJEHHG-SECBINFHSA-N	240.278	2.364	70	20	BEID	
CN(Cc1cccn1C)C(=O)CCc1ccoc1	160915227	XVRTXLLWTSTKCC-UHFFFAOYSA-N	246.310	2.209	70	20	BEID	
CC(C)[C@@H](C)CC(=O)NCC1(N)CCCCC1	159763525	LGSALWJFGHOVQY-LBPRGKRZSA-N	240.391	2.446	70	20	BEID	
Cc1ccc(C(N)=O)cc1NCc1cccn1C	160020803	FJZHSMGNPFFOHD-UHFFFAOYSA-N	243.310	2.045	70	20	BEID	
CN(Cc1cccn1C)C(=O)C1(C)CCC1	160417671	UEPUOWPTGYELBE-UHFFFAOYSA-N	220.316	2.174	70	20	BEID	
CC(C)OCCOC(=O)c1cnccc1Cl	161406951	OMEDUYMPHRPQPP-UHFFFAOYSA-N	243.690	2.317	70	20	BEID	
C[C@@H]1CC[C@H](NC(=O)c2c(O)cccc2O)C1	218086789	HDONWMFSBJDDJF-BDAKNGLRSA-N	235.283	2.016	70	20	BEID	
O=S(=O)(Cl)[C@H]1CCc2cc(F)ccc2C1	536954746	ZUMJJYIQVSJEFR-JTQLQIEISA-N	248.706	2.252	70	20	BEID	
CS[C@H](C)CN[C@@H](C)C(=O)OC(C)(C)C	159598464	HBDVHRKBDQVCMM-BDAKNGLRSA-N	233.377	2.058	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)NCCc1ccccn1	160827214	QKECMXWPWXXCPH-GXTWGEPZSA-N	232.327	2.177	70	20	BEID	
CC[C@H](COC)N[C@@H](C)c1cscn1	161206603	GBOSCALCVYZZHM-DTWKUNHWSA-N	214.334	2.219	70	20	BEID	
C[C@H]1CCC[C@@H](CNC2(CO)CCC2)C1	161250686	PTEXGYCDUADCRI-NWDGAFQWSA-N	211.349	2.317	70	20	BEID	
CC[C@@H]1CCCC[C@H]1NCc1nnnn1C1CC1	161430080	AFPBHBSQWAHLCQ-ZYHUDNBSSA-N	249.362	2.066	70	20	BEID	
CCS(=O)(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21	217890569	ROEBTXGNQCTOFI-SRVKXCTJSA-N	245.388	2.237	70	20	BEID	
CCC[C@H](C)C(=O)N1CCCN(CCC)CC1	160386995	LLJIXKGCQIETKE-ZDUSSCGKSA-N	240.391	2.367	70	20	BEID	
Cc1csc(Cn2cnc(C(C)C)cc2=O)n1	160659172	LYQHLDRAIGFLCB-UHFFFAOYSA-N	249.339	2.180	70	20	BEID	
C[C@H](CNC(=O)C(F)F)c1ccccc1	217643427	FRVWUSPXPRKYOF-MRVPVSSYSA-N	213.227	2.171	70	20	BEID	
O=C(OCCCc1ccncc1)[C@@H]1CCCCO1	159650352	NGZFVWOOMFUPIN-ZDUSSCGKSA-N	249.310	2.127	70	20	BEID	
CCCC1(CNC(=O)NCC(C)(C)OC)CC1	160158815	IAHGUXUJONGHST-UHFFFAOYSA-N	242.363	2.291	70	20	BEID	
CC[C@H](C)OCC(=O)N1CC[C@@H](C)[C@@H]1C	160697070	XWDFELIJWJHZRH-VWYCJHECSA-N	213.321	2.058	70	20	BEID	
CCC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1	161445776	MBRSIGKDYHQFAM-STQMWFEESA-N	238.375	2.167	70	20	BEID	
CCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	185104409	YXFLKLIZTLEBFN-UHFFFAOYSA-N	245.275	2.083	70	20	BEID	
C[C@@]1(NC(=S)Nc2ccccc2)CCOC1	160042292	SKRRMCZLAVJWRB-GFCCVEGCSA-N	236.340	2.152	70	20	BEID	
CC(C)c1nc(N(C)C)nc(N2CCC[C@@H]2C)n1	160194501	FOUBYISIEDVDNZ-JTQLQIEISA-N	249.362	2.050	70	20	BEID	
CCCCOCC(=O)NCC1(CCC)CC1	160618322	XVBDBXJMMZOXGQ-UHFFFAOYSA-N	227.348	2.500	70	20	BEID	
CCC(CC)[C@H](F)CS(=O)(=O)Cl	1537958567	CNGYGTJTSFUCRK-SSDOTTSWSA-N	216.705	2.329	70	20	BEID	
CC(C)c1ccc(S(=O)(=O)Cl)nc1	104545958	JSBVVLSVARQKMS-UHFFFAOYSA-N	219.693	2.133	70	20	BEID	
COC[C@@H](C)NCCC1Cc2ccccc2C1	159731116	BBHYCUHBVCNXOH-GFCCVEGCSA-N	233.355	2.416	70	20	BEID	
COC(=O)CCN1CCC[C@H]1c1cccc(C)n1	159872233	JOBYGROLACRJMA-ZDUSSCGKSA-N	248.326	2.090	70	20	BEID	
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCOC2(CCCC2)C1	160049749	VYOVNFFTHUIKGW-IJLUTSLNSA-N	237.343	2.250	70	20	BEID	
CCc1ccccc1C(=O)N[C@@H](C)COC	160650823	MGXOOUDBARZNSZ-JTQLQIEISA-N	221.300	2.014	70	20	BEID	
CC(C)=CCN1CCN(c2ccncc2)CC1	161351301	XHHKXEVLXHVNFI-UHFFFAOYSA-N	231.343	2.170	70	20	BEID	
O=S(=O)(Cl)[C@H]1CCCC12CCC2	307108145	ASSYUQODMAJILB-ZETCQYMHSA-N	208.710	2.278	70	20	BEID	
CC[C@H](C)OCCCCS(=O)(=O)Cl	114258226	YFBKZUKILDACHB-QMMMGPOBSA-N	228.741	2.150	70	20	BEID	
C[C@@]1(Nc2ncnc3ccsc23)CCOC1	160078672	GQAJGNNAHGICOT-LLVKDONJSA-N	235.312	2.282	70	20	BEID	
CC[C@@H]([C@H]1CC1(C)C)S(=O)(=O)Cl	306578358	MGFYGWLAHAHRSJ-RQJHMYQMSA-N	210.726	2.380	70	20	BEID	
CCc1ccc(CC(=O)NCC2CC2)cc1	159640471	YRNBVOIQASDGDF-UHFFFAOYSA-N	217.312	2.318	70	20	BEID	
CS[C@H](C)CC(=O)NCc1ccc(C)nc1	159947423	ULKHUCFWWWCDRM-SNVBAGLBSA-N	238.356	2.148	70	20	BEID	
Cc1nc(NC(=O)[C@@H]2CCCCO2)sc1C	159984510	SUZRBKAXCWZNKC-VIFPVBQESA-N	240.328	2.268	70	20	BEID	
CC[C@H](NC(=O)c1cocn1)c1c(C)noc1C	160653310	XLTGCFWVMOKUCT-VIFPVBQESA-N	249.270	2.161	70	20	BEID	
CCCCn1ccc(C(=O)OC(C)C)cc1=O	161037612	KGHVWISZUPEMEO-UHFFFAOYSA-N	237.299	2.214	70	20	BEID	
CCCCNC(=S)N(C)CC1CCOCC1	161123682	RJLXXIBTJVPHDJ-UHFFFAOYSA-N	244.404	2.019	70	20	BEID	
CCN(Cc1ccc(CO)o1)CC(C)C	161158551	ZJDICICMJRONCD-UHFFFAOYSA-N	211.305	2.250	70	20	BEID	
O=C(NCCCOC1CCCCC1)C(F)F	218691584	BYALORBXGOARTM-UHFFFAOYSA-N	235.274	2.107	70	20	BEID	
O=S(=O)(F)c1ccc([C@H]2CC2(F)F)cc1	1772718222	ZKYYOHSNWJCKQF-MRVPVSSYSA-N	236.214	2.467	70	20	BEID	
CCCCCC(=O)NOCc1cccnc1	160767535	OVQGFAGTJDNWLG-UHFFFAOYSA-N	222.288	2.210	70	20	BEID	
CCC(C)(CC)C(=O)N[C@@H](C)CCCO	159440628	JRBNWMPRBRXBNE-JTQLQIEISA-N	215.337	2.090	70	20	BEID	
Cc1[nH]ncc1C(=O)N[C@H]1CC[C@H](C)CC1	161108342	IVVKJTYXUUSFSA-WAAGHKOSSA-N	221.304	2.027	70	20	BEID	
C[C@@H](Cc1cccc(F)c1)S(=O)(=O)Cl	162656161	MMMKGXSNNUAIQP-ZETCQYMHSA-N	236.695	2.325	70	20	BEID	
O=C(NCC1(C2CC2)CC1)c1ccco1	159964868	NCYDHOVQXYIIGZ-UHFFFAOYSA-N	205.257	2.200	70	20	BEID	
C[C@H]1CCN(C(=O)NCC(F)(F)F)C[C@H]1C	160047083	LEAJGPZEEHYJPW-JGVFFNPUSA-N	238.253	2.236	70	20	BEID	
CCCC[C@@H](CC)CC(=O)N1CC[C@H](NC)C1	160589112	OQLAAWSEBMRILD-OLZOCXBDSA-N	240.391	2.413	70	20	BEID	
Cc1nc(Cl)ccc1C(=O)NCC(F)F	159417858	VJYSLFVKAHQERT-UHFFFAOYSA-N	234.633	2.038	70	20	BEID	
CC(C)OCCC(=O)N1[C@H](C)CC[C@H]1C	161473435	XLGZDUOHIXPWRS-GHMZBOCLSA-N	213.321	2.201	70	20	BEID	
c1csc(NCCCOCC2CC2)n1	218649220	WVQOXXFUKPJHFE-UHFFFAOYSA-N	212.318	2.372	70	20	BEID	
CN(C(=O)N[C@@H]1CCOC1)C1CCCCCC1	159450543	LXDYAQRRHYKQNN-LLVKDONJSA-N	240.347	2.140	70	20	BEID	
C[C@H]1CCCC[C@H]1OCCS(=O)(=O)Cl	112155168	BBSAUENVZIJLSN-DTWKUNHWSA-N	240.752	2.150	70	20	BEID	
C[C@@H](O)C[C@H](CNC(=O)C1CC1)c1ccccc1	159600746	BUKNOUBBEXPURH-BXUZGUMPSA-N	247.338	2.067	70	20	BEID	
CCC(F)(CC)CS(=O)(=O)Cl	685947362	MKFGBFDLYMUNCZ-UHFFFAOYSA-N	202.678	2.083	70	20	BEID	
CCOCCC1(CNC(=O)C2=CCCC2)CC1	159460219	SSORGSKHGLDROU-UHFFFAOYSA-N	237.343	2.420	70	20	BEID	
CN(C(=O)CC1CC1)c1ccc2c(c1)OCO2	160197035	UUUULBGPORMKGJ-UHFFFAOYSA-N	233.267	2.178	70	20	BEID	
CO[C@@H](C)c1nc(-c2ccc(O)cc2)no1	160615387	VKVFQCFVPNDJMB-ZETCQYMHSA-N	220.228	2.150	70	20	BEID	
CCCNC(=O)c1ccnn1C(CC)CC	160652712	FPWCECVDAJADBT-UHFFFAOYSA-N	223.320	2.384	70	20	BEID	
C[C@H](NC[C@@H]1CCCCO1)c1cscn1	161171502	YJUJIOGTQFYETN-UWVGGRQHSA-N	226.345	2.363	70	20	BEID	
FC(F)(F)c1ccc(N[C@H]2CCSC2)nn1	218046476	MSKLOFBQRYSNFM-LURJTMIESA-N	249.261	2.413	70	20	BEID	
C[C@H](NCCC(C)(C)O)[C@@H]1COc2ccccc21	160154687	QETSCAFKHHMBQT-AAEUAGOBSA-N	249.354	2.302	70	20	BEID	
CC1=C(C(=O)Nc2ccc(C)nc2)CCCO1	160488192	JAHYMQVKEKUOSD-UHFFFAOYSA-N	232.283	2.413	70	20	BEID	
CCCCCSCCN1CCOCC1	159989669	VRTHQESRJRHORU-UHFFFAOYSA-N	217.378	2.242	70	20	BEID	
Cc1ccc(C(=O)N[C@@H](CO)C(C)(C)C)cc1	218542138	ICXHQJXTQGFBPM-LBPRGKRZSA-N	235.327	2.132	70	20	BEID	
Cc1cc(COC(=O)c2ccccc2)no1	218687285	JIBOEZKWAKLYMO-UHFFFAOYSA-N	217.224	2.340	70	20	BEID	
COCCCC(=O)OCc1nc(C)sc1C	160399690	DQSGAYNUADWAJB-UHFFFAOYSA-N	243.328	2.230	70	20	BEID	
C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCO2)C1	161055440	MOFQCRJHYQJIBN-UTUOFQBUSA-N	225.332	2.250	70	20	BEID	
CC(C)Oc1cccnc1N[C@H]1CCOC1	159460887	DYDKRUUWWHNWOP-JTQLQIEISA-N	222.288	2.070	70	20	BEID	
Cc1ccc(CNC(=O)[C@H]2CCCCO2)c(C)c1	161030876	RTMLSKKJULLDFD-CQSZACIVSA-N	247.338	2.489	70	20	BEID	
CCNC(=O)N1CC=C(C(C)(C)C)CC1	160444478	RTYZDHJTWBEWJN-UHFFFAOYSA-N	210.321	2.394	70	20	BEID	
CC(C)(C)Nc1nnc(-c2cccnc2)o1	217027780	ZMWKHZSBHCGICB-UHFFFAOYSA-N	218.260	2.342	70	20	BEID	
CSCCNC(=O)c1ccc(Cl)o1	218075493	MJNLNBMWHQRQMI-UHFFFAOYSA-N	219.693	2.026	70	20	BEID	
Cc1cc(C)cc(OCCS(=O)(=O)Cl)c1	103977039	RLOFCYWMVJDBNE-UHFFFAOYSA-N	248.731	2.251	70	20	BEID	
CC[C@@H](CCO)Nc1nc(Cl)cs1	217993225	RTLCBXQKPVMVAP-LURJTMIESA-N	220.725	2.369	70	20	BEID	
CC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2C)C1	159814528	YBRIYVHEYDHPHI-TZMCWYRMSA-N	246.354	2.266	70	20	BEID	
CCO[C@@H](C)C(=O)OCc1nc(C)sc1C	160171852	IOCJKKNPLRJGJH-ZETCQYMHSA-N	243.328	2.228	70	20	BEID	
CSC[C@H](CCO)N[C@@H](C)C1CCCC1	160380066	BAUFFKRCFNWUDY-JQWIXIFHSA-N	231.405	2.269	70	20	BEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)N(C)Cc1ccco1	160835538	AFJAADFTDJMVLC-GXFFZTMASA-N	249.310	2.243	70	20	BEID	
O=C(NC1CC=CC1)c1noc2c1CCCC2	160986965	WGJSKODDOLPXSJ-UHFFFAOYSA-N	232.283	2.002	70	20	BEID	
C[C@H]1CCC[C@H]1NC(=O)c1cccc2[nH]cnc12	159426316	LHVXFMGRVHEITB-GXSJLCMTSA-N	243.310	2.481	70	20	BEID	
CSCC[C@@H](C)NC(=O)c1cccc(F)n1	160735225	JTCXZXSIAKIGNS-MRVPVSSYSA-N	242.319	2.092	70	20	BEID	
O=S(=O)(Cl)c1cccc2occc12	97957351	YWOBUTQJEBYZTR-UHFFFAOYSA-N	216.645	2.360	70	20	BEID	
C[C@@H](N[C@H]1CC[C@H](CO)CC1)c1ccccn1	159373396	PQLLCPSLUQVKSB-UPJWGTAASA-N	234.343	2.283	70	20	BEID	
CON(C)C(=O)[C@@H](C)c1c(F)cccc1F	160909934	DMMFAHAWWWZTND-ZETCQYMHSA-N	229.226	2.088	70	20	BEID	
CCN1CC[C@H](NCc2ccc(C)nc2)[C@H](C)C1	161278653	JEIPPBRCHRQRJN-DOMZBBRYSA-N	247.386	2.210	70	20	BEID	
Cc1cc(N[C@@H](C)C2CCC2)n2ncnc2n1	159990789	DVKCUQNAXWWJEN-VIFPVBQESA-N	231.303	2.033	70	20	BEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccnn1C	160811875	KFQOSNPVPBCYHD-VXGBXAGGSA-N	249.358	2.461	70	20	BEID	
COC[C@H](C)Nc1cccc(OCCF)c1	160885395	ATYRBTPYUZXOKJ-JTQLQIEISA-N	227.279	2.482	70	20	BEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cccn1	161277144	HNGWBPWGHLJBIS-CHWSQXEVSA-N	249.358	2.310	70	20	BEID	
CC(C)n1cccc1C(=O)NCc1cccnc1	161343487	IERQBMYEJFTXKJ-UHFFFAOYSA-N	243.310	2.394	70	20	BEID	
CCC(=O)N(C)CCOCc1ccccc1	159479657	SUZHPGXUNBGTKM-UHFFFAOYSA-N	221.300	2.072	70	20	BEID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC1CC1	160559110	CVHIYLCEMXJTEC-MNOVXSKESA-N	226.364	2.022	70	20	BEID	
C[C@@H]1CCCC[C@@H]1CN1CC[C@@H](CN)C1	218452743	MUDOHBMQSDVBSE-FRRDWIJNSA-N	210.365	2.093	70	20	BEID	
Cc1ncc(CS[C@@H](C)CO)s1	160742867	JGUIBOHBVRFSMI-LURJTMIESA-N	203.332	2.066	70	20	BEID	
CCCC[C@@H](CC)CC(=O)NC[C@H](C)CO	160494086	IVVJGQMVVAZSMI-NWDGAFQWSA-N	229.364	2.338	70	20	BEID	
O=C(Nc1cccc(F)n1)[C@H]1CC1(Cl)Cl	160920385	PKAYPELINVWCRS-RXMQYKEDSA-N	249.072	2.353	70	20	BEID	
CCC(CC)CNC(=O)NC[C@@H](O)[C@@H](C)CC	160585023	FAVYQLGMXWMISW-CMPLNLGQSA-N	244.379	2.129	70	20	BEID	
Cc1nc(N2CCC[C@@](C)(O)C2)sc1C	160847949	GFKYQBONGDLYBY-LLVKDONJSA-N	226.345	2.111	70	20	BEID	
COc1ccc(C(=O)C(F)F)c(F)c1	217659046	AZCCLZJGFHKVLA-UHFFFAOYSA-N	204.147	2.282	70	20	BEID	
C[C@H]1CC[C@@H](C(=O)Nc2cc([C@@H]3C[C@@H]3C)n[nH]2)O1	159677536	KLMIQMQPDMLBBK-CKEKPRIKSA-N	249.314	2.039	70	20	BEID	
COCCN1CCC[C@@H]1c1cccc(C)n1	159729737	UUJVCFPZWATFGD-CYBMUJFWSA-N	220.316	2.173	70	20	BEID	
Cc1cnc(C)c(N[C@H]2CCOC(C)(C)C2)n1	159998140	XIEJEWUGZBQCKY-NSHDSACASA-N	235.331	2.463	70	20	BEID	
Cc1cc(N[C@H]2CCOC(C)(C)C2)nc(C)n1	160669792	SFWCLXCQJGIWRO-NSHDSACASA-N	235.331	2.463	70	20	BEID	
CCCC1(CNC(=O)[C@H]2CCCOC2)CC1	160672863	LAODSQIZLQJEKM-NSHDSACASA-N	225.332	2.110	70	20	BEID	
CCC[C@H](C)C(=O)N(C)Cc1cccn1C	160838915	VPFUEJLIVYINJR-NSHDSACASA-N	222.332	2.420	70	20	BEID	
CCc1csc(N2CCC[C@@](C)(O)C2)n1	160843267	VLMBSTIZOOHVRV-LLVKDONJSA-N	226.345	2.057	70	20	BEID	
COCC(C)(C)c1nc(-c2ccccn2)no1	161400753	QRTIWOKZOCICAN-UHFFFAOYSA-N	233.271	2.056	70	20	BEID	
CCCCN(CCCC)C[C@@H]1COCCO1	217510496	FWSHQDVTBXZMLE-CYBMUJFWSA-N	229.364	2.304	70	20	BEID	
CCC[C@H](COC(C)C)CS(=O)(=O)Cl	114434546	OQCUCXMPZNFSRH-SECBINFHSA-N	242.768	2.396	70	20	BEID	
CC(C)c1cc(=O)n(CCC(F)(F)F)cn1	160868727	YYTOODGIKJVPIJ-UHFFFAOYSA-N	234.221	2.319	70	20	BEID	
Cc1cccc(CN(C)[C@@H](C)[C@H](C)O)c1	216984933	DMFNFYACNRMZHI-RYUDHWBXSA-N	207.317	2.196	70	20	BEID	
Cc1cc(F)cc(NC(=O)N[C@H]2CCOC2)c1	159405350	RSWFHRAPYBBHPX-JTQLQIEISA-N	238.262	2.045	70	20	BEID	
NCCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159724779	DCAGXLBTOCKCAA-KGLIPLIRSA-N	246.354	2.178	70	20	BEID	
COC(=O)[C@H](C)N(C)CCC1CCCCC1	160193315	AMDDEHKCITZJDZ-NSHDSACASA-N	227.348	2.450	70	20	BEID	
O=C(CC1CCC1)Nc1cccc(F)n1	160653479	WMCVRVUFPQFREA-UHFFFAOYSA-N	208.236	2.349	70	20	BEID	
CC[C@@H](CC(=O)NCCCN)c1ccccc1	160149246	LXWVRNWYGAFUSV-LBPRGKRZSA-N	234.343	2.035	70	20	BEID	
CCS(=O)(=O)N[C@@H](C)C1CCCCCC1	160675857	WBXNEOXNMFRVMY-JTQLQIEISA-N	233.377	2.285	70	20	BEID	
CC[C@H](CS(=O)(=O)Cl)C(C)(F)F	721840992	LADNCSIDJCMLKT-RXMQYKEDSA-N	220.668	2.236	70	20	BEID	
C[C@H]1[C@@H](C)SCCN1Cc1cnc(N)s1	161287079	WNMWYWUSLQKLDE-JGVFFNPUSA-N	243.401	2.051	70	20	BEID	
CC(C)CCC(=O)NCC1(N)CCCCC1	159602137	JSFBKRSFMKFJKK-UHFFFAOYSA-N	226.364	2.200	70	20	BEID	
CC[C@H]1CN(C(=O)N2CCCCCC2)CCO1	160361529	AEONBXHQCBCURW-LBPRGKRZSA-N	240.347	2.093	70	20	BEID	
Cc1cnc(NCCCn2nc(C)cc2C)nc1	160765664	ZIWDCTMKPNCSRR-UHFFFAOYSA-N	245.330	2.101	70	20	BEID	
COC(=O)c1cccc(N[C@@H](C)[C@H](C)OC)c1	161152973	PKORQIPWEONHDU-UWVGGRQHSA-N	237.299	2.309	70	20	BEID	
Cc1ccc(NC(=O)NCc2cc(C)no2)cn1	161367567	XSKKELLQYJZGSB-UHFFFAOYSA-N	246.270	2.008	70	20	BEID	
CN(C(=O)c1ccncc1F)C1CCCC1	161386121	VBHFAHDGZBPCRV-UHFFFAOYSA-N	222.263	2.235	70	20	BEID	
CCC[C@H](C)N(C)C(=O)c1ccncc1F	161390235	KJROQTSOCRBLNA-VIFPVBQESA-N	224.279	2.481	70	20	BEID	
Cc1nc(O)ccc1C(=O)N[C@@H]1CCC[C@@H]1C	161441104	AGNWSMHAEMAFPF-GZMMTYOYSA-N	234.299	2.014	70	20	BEID	
FC(F)(F)c1ccc(N[C@@H]2CCSC2)nn1	218046400	MSKLOFBQRYSNFM-ZCFIWIBFSA-N	249.261	2.413	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(C)cc1	160477705	WIRHFXXEWXXXJI-NSHDSACASA-N	249.310	2.067	70	20	BEID	
CCNC(=S)NCCCCC(F)(F)F	159578842	YGDOKMGONLEXQK-UHFFFAOYSA-N	228.283	2.203	70	20	BEID	
Cc1noc(C)c1N(C)C(=O)NC(C)(C)C	160157631	IHBJCFDSDRECSG-UHFFFAOYSA-N	225.292	2.236	70	20	BEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)N(C)Cc1ccco1	160835299	AFJAADFTDJMVLC-GWCFXTLKSA-N	249.310	2.243	70	20	BEID	
C[C@@H](Cn1cccn1)NCCc1ccc(F)cc1	159550251	OAGHGEIZKJWUAN-LBPRGKRZSA-N	247.317	2.243	70	20	BEID	
COC[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)C(C)C	161105449	GAFVXZXCPXCIJJ-MELADBBJSA-N	242.407	2.120	70	20	BEID	
O=C(CCl)Nc1ccnn1-c1ccccc1	144668086	ZQERTKQTKOIFNS-UHFFFAOYSA-N	235.674	2.050	70	20	BEID	
CCC(C)(CC)C(=O)N[C@H](C)CCCO	159440722	JRBNWMPRBRXBNE-SNVBAGLBSA-N	215.337	2.090	70	20	BEID	
CCCOC(=O)[C@H](C)N(C)Cc1ccoc1C	159570015	ATWKJVVVFAXSBP-JTQLQIEISA-N	239.315	2.362	70	20	BEID	
CC(C)CCCNC(=O)N1CCO[C@@H](C)[C@H]1C	159614913	ABZCMOWMLLNUHA-NEPJUHHUSA-N	242.363	2.241	70	20	BEID	
CCCOCC(=O)N[C@H]1CCC[C@@H]1CC	159722602	ABPFKVULXBJUFG-QWRGUYRKSA-N	213.321	2.108	70	20	BEID	
CCC[C@@H](O)CNC(=O)[C@H](CCC)C(C)C	160023154	ZDRWJPLCTWDONM-VXGBXAGGSA-N	229.364	2.336	70	20	BEID	
CC[C@H](C)CS(=O)(=O)NCC1(C2CC2)CC1	160168129	JUZCFEAOBNIKKI-JTQLQIEISA-N	245.388	2.142	70	20	BEID	
CCOC[C@H](C)N[C@@H](C)c1cscn1	161186888	OCMNTTUSPKLXKG-IUCAKERBSA-N	214.334	2.219	70	20	BEID	
NC[C@H]1CCCCN1C(=O)/C=C\c1ccccc1	217594463	FUJWUMLXLMECTG-CFYYFVFUSA-N	244.338	2.040	70	20	BEID	
C[C@H](CCc1ccccc1)NC(=O)C(F)F	217623529	NENGUTKZZQTQDS-SECBINFHSA-N	227.254	2.389	70	20	BEID	
O=C(NCCc1cccc(Cl)c1)C(F)F	217865061	JKKXXYOTYXEHPX-UHFFFAOYSA-N	233.645	2.264	70	20	BEID	
C[C@@H](c1cccc(C#N)c1)S(=O)(=O)Cl	88251072	HDRFKHINRVVAEK-ZETCQYMHSA-N	229.688	2.188	70	20	BEID	
CCCN(CC)c1nc(Cl)nc2nc[nH]c12	160185812	KLQCNGSHYARICN-UHFFFAOYSA-N	239.710	2.243	70	20	BEID	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(C)(C)N	160902777	DKFMDNXGWFYDQV-YPMHNXCESA-N	246.354	2.128	70	20	BEID	
NC(=O)NCC1(c2ccccc2Cl)CC1	160649230	ATDAYLCSTJPGRI-UHFFFAOYSA-N	224.691	2.040	70	20	BEID	
COCC(C)(C)c1nc(C(C)(C)C)no1	161440831	WIACFMVGIICYLJ-UHFFFAOYSA-N	212.293	2.291	70	20	BEID	
Cc1cncc(/C=C/C(=O)N[C@@H](C)C2CC2)c1	160159501	NHGYPKGYBPWVIM-GQOHGMTASA-N	230.311	2.318	70	20	BEID	
Cc1cccc(C(=O)N[C@@]2(C)CCOC2)c1F	160212500	HCQLRGLFLKUPKO-ZDUSSCGKSA-N	237.274	2.043	70	20	BEID	
CC[C@]1(C)CCCN(C(=O)[C@@H]2CCCNC2)C1	160777405	QIBKSHTZDOFFON-TZMCWYRMSA-N	238.375	2.025	70	20	BEID	
CC(=O)c1ccc(N2CCS[C@H](C)C2)nc1	161416007	NVUDPJWJWJVIGX-SECBINFHSA-N	236.340	2.226	70	20	BEID	
CC[C@@H](CSC)NCc1cncn1CC	217327739	BLQZWHULJIOGDK-JTQLQIEISA-N	227.377	2.134	70	20	BEID	
CC(C)(C)[C@@](C)(F)CS(=O)(=O)Cl	1537958755	JBVOSAWYOZPYLD-ZETCQYMHSA-N	216.705	2.329	70	20	BEID	
c1ccc2oc(N3CCOC[C@@H]3C3CC3)nc2c1	159683906	WNBSMHBAGJVALA-GFCCVEGCSA-N	244.294	2.443	70	20	BEID	
COc1cc(C)nc(N[C@H](C)C2CCC2)n1	160073102	PWZWMJQFOVSOLW-SECBINFHSA-N	221.304	2.394	70	20	BEID	
CCC[C@H]1CCCN(C(=O)C[C@H]2CCCN2)C1	161448612	VMJUVFKUDRQMDC-QWHCGFSZSA-N	238.375	2.167	70	20	BEID	
O=S(=O)(Cl)N1CCCCCCCC1	307350092	SSQYUZRZJIXMAE-UHFFFAOYSA-N	225.741	2.126	70	20	BEID	
CCCN(CCC1CCCC1)CC(=O)N(C)C	159498468	KFQXKTDPGUREEJ-UHFFFAOYSA-N	240.391	2.367	70	20	BEID	
C[C@@H](Nc1ccnc(N(C)C)n1)C1CCC1	160064613	YRMRUEFTMPXOSH-SECBINFHSA-N	220.320	2.143	70	20	BEID	
CC1(C)CCC[C@H](NC(=O)N[C@H]2CCOC2)C1	160723160	ZBXSLZXPUUMSEG-QWRGUYRKSA-N	240.347	2.043	70	20	BEID	
CC(C)[C@@H](N)C(=O)NCCCCC1CCCC1	160901074	JKUXOZZPUGSLCU-CYBMUJFWSA-N	240.391	2.446	70	20	BEID	
C[C@H](CCC1CCCCC1)NC(=O)[C@@H](C)N	160914573	SZFLCAHTFIWDDR-GHMZBOCLSA-N	226.364	2.199	70	20	BEID	
CCC[C@H](C)SCCN1CCOCC1	159771328	HWGFNDZQQRGBKK-NSHDSACASA-N	217.378	2.240	70	20	BEID	
c1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccn1	159622208	LWKSHOHKIAFUOL-IHRRRGAJSA-N	244.338	2.129	70	20	BEID	
Cc1cc(C)nc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160341570	PQFNZDHMSPCULR-CHWSQXEVSA-N	247.342	2.463	70	20	BEID	
CCOCC(=O)Nc1cccc(OCCF)c1	160533757	BWZDGMHFFDDLGB-UHFFFAOYSA-N	241.262	2.010	70	20	BEID	
CCOCCC1(C(=O)NC(C)C)CCC1	160549961	ZHOXAQVZZFTEAS-UHFFFAOYSA-N	213.321	2.108	70	20	BEID	
Cc1cc(C(=O)Nc2cc(F)ccc2C)ncn1	161178074	AMZVXJJNDJVUOV-UHFFFAOYSA-N	245.257	2.485	70	20	BEID	
CCOCCCn1nc(C2CC2)nc1C1CC1	161499493	ACCGJICZFZSGIM-UHFFFAOYSA-N	235.331	2.460	70	20	BEID	
C[C@@H]1CCC[C@@H](NC(=O)C(F)F)[C@@H]1C	217650196	DQZMKRCTTZBNLU-BWZBUEFSSA-N	205.248	2.192	70	20	BEID	
c1ccc([C@@H]2CCN(CCn3ccnc3)C2)cc1	159783621	KECQYCBUTQAQNZ-OAHLLOKOSA-N	241.338	2.373	70	20	BEID	
CCC1(C(=O)N[C@@H](CO)CC(C)C)CCC1	161073200	YIXXANIIDGLZPD-LLVKDONJSA-N	227.348	2.090	70	20	BEID	
CC(C)[C@H](CO)C(=O)N[C@@H](C)c1ccccc1	217437417	MOICKDQGPKLWIH-AAEUAGOBSA-N	235.327	2.128	70	20	BEID	
CC(C)OCCCCCS(=O)(=O)Cl	113155867	LVPDFSSGCRHLDU-UHFFFAOYSA-N	228.741	2.150	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccccn1	160827344	QKECMXWPWXXCPH-JSGCOSHPSA-N	232.327	2.177	70	20	BEID	
CSCCCCC(=O)NC1CC=CC1	160928647	CWVVLPPQWLJLFE-UHFFFAOYSA-N	213.346	2.355	70	20	BEID	
CC(C)n1c(N)nnc1SC1CCC1	161191357	CXXJDDISJJRTTO-UHFFFAOYSA-N	212.322	2.086	70	20	BEID	
CN(CCCN1CCCCC1)CC(F)F	161332965	GULSZWGWLUWEIP-UHFFFAOYSA-N	220.307	2.059	70	20	BEID	
CCCCNC(=S)N[C@H]1CCOC(C)(C)C1	159749665	XUOIRHXXRILKCC-JTQLQIEISA-N	244.404	2.208	70	20	BEID	
COC(=O)c1ccc(N2CCC[C@H]2C)nc1C	160193676	BEZQQEASWRZXCM-SECBINFHSA-N	234.299	2.165	70	20	BEID	
O=C(Nc1cccc(F)n1)[C@@H]1CC1(Cl)Cl	160920257	PKAYPELINVWCRS-YFKPBYRVSA-N	249.072	2.353	70	20	BEID	
CC[C@H](CC(=O)NC[C@@H](C)CO)c1ccccc1	160432141	NBVHLZNMMHPWLS-CHWSQXEVSA-N	249.354	2.315	70	20	BEID	
C[C@@H]1CCN(C(=S)NC2CC2)C[C@@H]1C	160871075	FKXAEDPMSUBNFY-BDAKNGLRSA-N	212.362	2.001	70	20	BEID	
O=C(NCc1cccc(F)c1)[C@@H]1CCCCO1	160949700	IZMFWFXODOWWNQ-LBPRGKRZSA-N	237.274	2.011	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCCCC1(F)F	585672693	QFAAPYGYOXQYDL-RXMQYKEDSA-N	218.652	2.133	70	20	BEID	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ncn1	161197034	GTRCKTGBWFXMLT-ADEWGFFLSA-N	247.342	2.340	70	20	BEID	
CCc1ccc(CC(=O)Nc2nc(C)no2)cc1	161244828	IFMNYBHLFIZTOW-UHFFFAOYSA-N	245.282	2.122	70	20	BEID	
CCC[C@@H](C)CC(=O)NCC(N)(CC)CC	160483526	SDZORSFPRNVGEB-LLVKDONJSA-N	228.380	2.446	70	20	BEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)COC	160770292	XCJNNOCOPXOZHJ-MNOVXSKESA-N	213.321	2.060	70	20	BEID	
C[C@@H](CC(=O)NC[C@H](C)CCO)c1ccccc1	161079917	ZABKGMVUFLCGKP-OLZOCXBDSA-N	249.354	2.315	70	20	BEID	
COCCCCC(=O)N1[C@@H](C)CC[C@@H]1C	161484639	VHOLSHQYGKZYKX-QWRGUYRKSA-N	213.321	2.203	70	20	BEID	
CCC(CC)N[C@@H]1CCN2CCCC[C@@H]12	217680273	CHGDKWVCPMPNOV-OLZOCXBDSA-N	210.365	2.391	70	20	BEID	
CC[C@H](NCc1ccc(C)nc1)c1cnn(C)c1	161263440	VHDGOAYFGRBNJA-AWEZNQCLSA-N	244.342	2.364	70	20	BEID	
CC(C)=C[C@H]1[C@H](C(=O)N(C)[C@H](C)CO)C1(C)C	160515114	ZRYGMNBUXNSBOE-GRYCIOLGSA-N	239.359	2.064	70	20	BEID	
Cc1cnccc1CN[C@H]1CCCSC1	160594293	VUAXGTUEFGZODE-LBPRGKRZSA-N	222.357	2.375	70	20	BEID	
C[C@@H](c1ccccc1F)N(C)Cc1nncn1C	160809126	KTELNRNKGIJCDJ-JTQLQIEISA-N	248.305	2.147	70	20	BEID	
Cc1ccc(OCCS(=O)(=O)Cl)cc1C	103977031	USPHBKFUMQCHTQ-UHFFFAOYSA-N	248.731	2.251	70	20	BEID	
C[C@H](Cc1cccs1)S(=O)(=O)Cl	103906859	RYQYYJLJLXBMGH-ZCFIWIBFSA-N	224.734	2.248	70	20	BEID	
CCC(C)(CC)C(=O)NCc1cnn(C)c1C	159389256	SHNXEHRKHZNZGD-UHFFFAOYSA-N	237.347	2.171	70	20	BEID	
C[C@@H](Nc1ccc(C(=O)N(C)C)cn1)C1CCC1	159987126	AERKIKKNVKFKJV-SNVBAGLBSA-N	247.342	2.384	70	20	BEID	
CC[C@H](CC1CCCCC1)C(=O)NCCO	159391457	UISZHYQTBBNFDV-GFCCVEGCSA-N	227.348	2.092	70	20	BEID	
COC(=O)[C@@H](C)N(C)Cc1ccc(C)s1	160434397	BPPLNAAHIYSWLU-SECBINFHSA-N	227.329	2.050	70	20	BEID	
CCOc1ccc(NC(=O)C(F)F)cc1OC	217865183	DTFRDERYHYJBBS-UHFFFAOYSA-N	245.225	2.298	70	20	BEID	
O=S(=O)(Cl)[C@H]1CCc2ccccc21	104847497	XVVQRMVKIXOUDN-VIFPVBQESA-N	216.689	2.243	70	20	BEID	
O=C(C[C@H]1CCCCO1)NCC1(C2CC2)CC1	159710253	NNILLXQBFNATEO-GFCCVEGCSA-N	237.343	2.252	70	20	BEID	
CC(C)(O)CN[C@@H]1CCCOc2ccccc21	160631150	BPYLSCSRZFKCSF-GFCCVEGCSA-N	235.327	2.261	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccnc(OC)c1	160832876	HXGHHGQOCWVFKQ-RISCZKNCSA-N	248.326	2.143	70	20	BEID	
C[C@H](NCC1(O)CCCC1)c1cscn1	161196109	CJJSJKFCGRQYDD-VIFPVBQESA-N	226.345	2.099	70	20	BEID	
O=S(=O)(Cl)CCc1ccc(F)cc1F	105880389	URDIYTVUFXOMIG-UHFFFAOYSA-N	240.658	2.076	70	20	BEID	
COCC(C)(C)C(=O)N[C@@H]1CCc2ccccc21	161051718	VAMOQTZRXUJXMV-CYBMUJFWSA-N	247.338	2.463	70	20	BEID	
CCCn1nccc1CNc1ccc(OC)nc1	159952680	BSKYNSLHHRSPAE-UHFFFAOYSA-N	246.314	2.309	70	20	BEID	
CC1=C(C(=O)Nc2ccc(F)nc2)CCCO1	159953512	XFLZSTUZUPOQFU-UHFFFAOYSA-N	236.246	2.244	70	20	BEID	
C[C@@H]1CCN(Cc2nncn2C)c2ccccc21	160788410	HPITXRZOEKJKAW-LLVKDONJSA-N	242.326	2.329	70	20	BEID	
O=[N+]([O-])c1ccc(/C=C/S(=O)(=O)Cl)cc1	100461519	SVMBRAHBRXXFEU-AATRIKPKSA-N	247.659	2.134	70	20	BEID	
C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)CC[C@H]1C	159791622	ZGQSXZISIJTGJM-VOAKCMCISA-N	238.375	2.022	70	20	BEID	
CCn1ccnc1CNC[C@@H]1CC1(C)C	217806224	XEHLJNNXBYUKOC-JTQLQIEISA-N	207.321	2.039	70	20	BEID	
CN(C)C(=O)N1CC=C(C(C)(C)C)CC1	160443887	WYZFZZDWKGSKBT-UHFFFAOYSA-N	210.321	2.346	70	20	BEID	
C[C@H](NC[C@@H]1CCCOC1)c1cscn1	161160063	SBMABHBEKLGUGY-UWVGGRQHSA-N	226.345	2.220	70	20	BEID	
CCC[C@@H](N)C(=O)N[C@@H](C)CCC(C)(C)C	161230885	QHHNRYFLDKSPPM-WDEREUQCSA-N	228.380	2.445	70	20	BEID	
O=C(N[C@H]1CC=CCC1)c1ccncc1F	161404853	KHTJSMHIZMNYRI-VIFPVBQESA-N	220.247	2.059	70	20	BEID	
CCC(CC)CC(=O)N[C@H](CO)CC(C)C	160975548	NGQKHAMYAVYLMD-LBPRGKRZSA-N	229.364	2.336	70	20	BEID	
C[C@@H]1[C@@H](S(=O)(=O)Cl)CCC[C@H]1C	252180523	PYBCZNMLRBRLMA-CSMHCCOUSA-N	210.726	2.380	70	20	BEID	
CN(C)CCSc1nc(C(C)(C)C)ns1	159920548	VOTRXFSCQWFIKW-UHFFFAOYSA-N	245.417	2.489	70	20	BEID	
CSCC[C@H](C)N[C@@H]1CCCOCC1	161453709	IPRJTBLPGQRKSQ-WDEREUQCSA-N	217.378	2.287	70	20	BEID	
CCCCS(=O)(=O)N1CC[C@H](C)C[C@H](C)C1	159708887	ZJKNJBSTQXRYDH-RYUDHWBXSA-N	247.404	2.484	70	20	BEID	
CSCCN[C@@H](C)c1cscn1	161137329	CBWOTITYQVXGDS-ZETCQYMHSA-N	202.348	2.157	70	20	BEID	
COC(CN1CC[C@@H](c2ccccc2)[C@@H]1C)OC	161486673	VJWSJLKWJLBTEK-GXTWGEPZSA-N	249.354	2.483	70	20	BEID	
C[C@@H](NCc1cc(O)cc(F)c1)C1CC1	159590921	IJZKOWRJAJQOGG-MRVPVSSYSA-N	209.264	2.419	70	20	BEID	
Cc1nnc(N[C@H](CO)CC(C)(C)C)s1	161435595	YIGQHCHNPBFGLL-QMMMGPOBSA-N	229.349	2.056	70	20	BEID	
CCCCOCCCNc1cc(NC)ncn1	160575232	BZHGUNGZNIIHPE-UHFFFAOYSA-N	238.335	2.137	70	20	BEID	
CCC[C@@H](O)CNC(=O)C(C)(CC)CC	159439748	PVNFJTUOHRMKRM-SNVBAGLBSA-N	215.337	2.090	70	20	BEID	
Cn1cnnc1CSc1ccccc1F	160929647	DCMUQWNAGMNDED-UHFFFAOYSA-N	223.276	2.247	70	20	BEID	
CC[C@H](C)N([C@H](C)CC)S(=O)(=O)Cl	100501544	XFQZDRCVLBYMKO-OCAPTIKFSA-N	227.757	2.369	70	20	BEID	
CC(C)N(C(=O)CC1(N)CCC1)C1CCC1	160562241	NLWDQBSHVJUPPV-UHFFFAOYSA-N	224.348	2.047	70	20	BEID	
CC(C)C1CCN(C(=O)[C@@H]2OCC[C@@H]2C)CC1	160729167	KNMOCUOMJCEIAC-WCQYABFASA-N	239.359	2.306	70	20	BEID	
Cn1nccc1/C=C/C(=O)NCCC1=CCCC1	160223706	IYBDVQOIMPNQAU-VOTSOKGWSA-N	245.326	2.050	70	20	BEID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)c(C)c1	160974691	YHGHGJGHTMWOEP-QWHCGFSZSA-N	246.354	2.303	70	20	BEID	
C[C@@H]1CCN(CCC2OCCCO2)C[C@@H]1C	160977978	RLWKMXDNKULKLI-NEPJUHHUSA-N	227.348	2.117	70	20	BEID	
CC(C)C[C@H]1CCCCCN1C(=O)[C@@H](C)N	161297923	OCAQFAGJNMPXTD-VXGBXAGGSA-N	226.364	2.151	70	20	BEID	
O=C(Nc1ccc2c(c1)OCCCO2)C(F)F	217632300	QNWWBXSKCNZMQJ-UHFFFAOYSA-N	243.209	2.052	70	20	BEID	
CCC[C@H](O)CNCc1nc(C)c(C)s1	217906768	PJPPDBWQXYWIAR-JTQLQIEISA-N	228.361	2.011	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1ncoc1C	159676056	WFKIMWZOUQOHRS-VHSXEESVSA-N	222.288	2.292	70	20	BEID	
C[C@@H](NCCO)c1cccc(OC(F)(F)F)c1	159719084	ZVSHMXMTPKIBEO-MRVPVSSYSA-N	249.232	2.228	70	20	BEID	
O=C(CC1CC1)N[C@@H]1CCOC2(CCCC2)C1	159948669	UFUBPZXVDRVCEY-GFCCVEGCSA-N	237.343	2.395	70	20	BEID	
CC1=C(C(=O)Nc2ccnn2C(C)C)CCCO1	160350728	CNPUSMDDDKKQQM-UHFFFAOYSA-N	249.314	2.487	70	20	BEID	
C[C@H](CCO)SCc1ccc(CO)cc1	159481638	AZZNHZKQZPNUQR-SNVBAGLBSA-N	226.341	2.183	70	20	BEID	
CCCC1(CNC(=O)[C@H](C)OCC)CC1	160578105	WAQCCAXPSCOPDB-JTQLQIEISA-N	213.321	2.108	70	20	BEID	
Cc1cc(C[C@@H](C)NC(=O)C[C@H]2C=CCC2)n[nH]1	161234028	CXPSGYBGSLYZKJ-PWSUYJOCSA-N	247.342	2.122	70	20	BEID	
CC[C@@H](CSC)Nc1ccc(C)nn1	217383033	XZDKAPBIBQRCLH-VIFPVBQESA-N	211.334	2.339	70	20	BEID	
CCCCOCCNc1ncccc1OC	160215452	FUDIMTDQAXIEMU-UHFFFAOYSA-N	224.304	2.319	70	20	BEID	
O=C(NC1CCC1)N1CC=C(C(F)(F)F)CC1	160587604	MONAPXNPBOQNKV-UHFFFAOYSA-N	248.248	2.443	70	20	BEID	
Cc1cccc2c1CCN2Cc1nccn1C	160873732	DRBXYBUIPQHLNO-UHFFFAOYSA-N	227.311	2.291	70	20	BEID	
CC(C)OC[C@@H](CS(=O)(=O)Cl)C(C)C	114434580	RXKUYQOOHHVWNV-VIFPVBQESA-N	242.768	2.252	70	20	BEID	
CC[C@H](Oc1ccc(OC(C)C)cc1)C(N)=O	159436982	HJSGFXCESHGJTL-LBPRGKRZSA-N	237.299	2.117	70	20	BEID	
C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H](C)O	159505634	GAGGATKOUBUHCV-BDAKNGLRSA-N	229.270	2.338	70	20	BEID	
Cc1cccc(C(=O)Nc2ncccc2O)c1F	159724717	KVOVLNISPRUINP-UHFFFAOYSA-N	246.241	2.487	70	20	BEID	
CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC1(C)C	160721459	OMACBLCVWZEPQS-QWRGUYRKSA-N	225.332	2.060	70	20	BEID	
CCc1ncc(NC(=O)N2CC[C@@H](CC)C2)cn1	161144100	DSFRVOQJGKRBRL-SNVBAGLBSA-N	248.330	2.303	70	20	BEID	
C[C@H]1COCCN1Cc1csc(C2CC2)n1	161386358	GSSRDDNVUCXOBY-VIFPVBQESA-N	238.356	2.241	70	20	BEID	
Cc1cnc2cccc(S(=O)(=O)Cl)c2c1	207579085	HTAMTFRQJZCNAH-UHFFFAOYSA-N	241.699	2.471	70	20	BEID	
Cc1cc(C)cc(CCS(=O)(=O)Cl)c1	104550509	KNJDKRJEXWRIRA-UHFFFAOYSA-N	232.732	2.415	70	20	BEID	
COc1cccc([C@H](C)N(C)C[C@@H](C)O)c1	159510186	BADPSGZHPLRHBC-MNOVXSKESA-N	223.316	2.069	70	20	BEID	
O=[S@@](Cc1nccs1)c1ccc(O)cc1	160657129	FRNOOHJULCZMDU-OAHLLOKOSA-N	239.321	2.157	70	20	BEID	
CCCC1(CNC(=O)CC[C@H]2CCOC2)CC1	160721611	OHLHWJKAJUYGLS-LBPRGKRZSA-N	239.359	2.500	70	20	BEID	
COC[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)C(C)C	161105205	GAFVXZXCPXCIJJ-HZSPNIEDSA-N	242.407	2.120	70	20	BEID	
O=C(/C=C\CCc1ccccc1)N1CCOCC1	217038730	JUAQMDRFSCHUEI-UITAMQMPSA-N	245.322	2.034	70	20	BEID	
C[C@H]1CC[C@@H](NC(=O)c2c(O)cccc2O)C1	218086713	HDONWMFSBJDDJF-DTWKUNHWSA-N	235.283	2.016	70	20	BEID	
CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F	159409931	VRNWEXFNAUEDNE-BDAKNGLRSA-N	241.237	2.138	70	20	BEID	
Cc1cc(NC(=O)CCC2CCC2)c[nH]c1=O	159676102	MLNKYLZNHZQREF-UHFFFAOYSA-N	234.299	2.202	70	20	BEID	
CC(C)NC(=S)N1CC[C@@H](C)[C@H](C)C1	160868762	QKQMZJLSRXQQGP-NXEZZACHSA-N	214.378	2.247	70	20	BEID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1cnccn1	161063402	QQDSBLFLJQPERH-XQQFMLRXSA-N	248.374	2.000	70	20	BEID	
COCc1ccc([C@H]2CCCN2C(C)=O)o1	161215533	UWBVEDHTIRVAFM-LLVKDONJSA-N	223.272	2.109	70	20	BEID	
CCNCCNCc1ccc(C)c(Cl)c1	161308270	XLFAGTURCWZVHJ-UHFFFAOYSA-N	226.751	2.348	70	20	BEID	
CCc1ccc(/C=C/C(=O)N[C@]2(C)CCOC2)o1	161400272	RHHJHBGWEFXSQA-PSKZRQQASA-N	249.310	2.150	70	20	BEID	
O=S(=O)(Cl)C[C@@H]1CCOc2ccccc21	97971561	CUJKEOZAJINFRT-QMMMGPOBSA-N	246.715	2.121	70	20	BEID	
Cc1cccc(C(=O)NCC2(C3CC3)CC2)n1	159750768	AMJFUMKDKDCOMU-UHFFFAOYSA-N	230.311	2.310	70	20	BEID	
CCn1nccc1CNc1ccc2cn[nH]c2c1	160077603	QXPQKAINSUOUPS-UHFFFAOYSA-N	241.298	2.391	70	20	BEID	
O=C(C1CC1)N1CC=C(C(F)(F)F)CC1	160582179	CBVROPTZACNOCI-UHFFFAOYSA-N	219.206	2.117	70	20	BEID	
CCOCCN(C)Cc1cccc(N(C)C)c1	159825721	ZVMWKWKRDQTNRT-UHFFFAOYSA-N	236.359	2.221	70	20	BEID	
CSCC[C@@H](C)Nc1ncc(C)cn1	160428384	JNBCPMFFSQRLKN-SECBINFHSA-N	211.334	2.339	70	20	BEID	
Cc1ncc(Cn2cnc(C(C)C)cc2=O)s1	160812950	GVDHFOUAZKQOCL-UHFFFAOYSA-N	249.339	2.180	70	20	BEID	
COC(=O)c1cc(C)c(Cl)c(OC)c1	217640178	MZQJDEHIRFGRFS-UHFFFAOYSA-N	214.648	2.444	70	20	BEID	
CCc1ccc(CS(=O)(=O)Cl)s1	156115868	YRLVLUXICKRAOO-UHFFFAOYSA-N	224.734	2.379	70	20	BEID	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCCN	160907977	WJDKTSQJFJUBQJ-GXTWGEPZSA-N	246.354	2.130	70	20	BEID	
CCC[C@H](C)N[C@H]1CCN2CCCC[C@@H]12	217670780	XCYGECZFOVREQK-AVGNSLFASA-N	210.365	2.391	70	20	BEID	
CCCCOCCCCS(=O)(=O)Cl	114258124	GCIDLDMVWKKZIZ-UHFFFAOYSA-N	228.741	2.152	70	20	BEID	
CSCCCNCc1cc(O)cc(F)c1	159602300	HDJQTGHJKJCQTA-UHFFFAOYSA-N	229.320	2.374	70	20	BEID	
Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)N)cc1	159912116	OTBCGZLXTKVIKI-JSGCOSHPSA-N	246.354	2.396	70	20	BEID	
CCCC[C@@H](CC)CC(=O)N(C)[C@@H](C)CO	160479194	IFEKUNXPVYAVIF-NWDGAFQWSA-N	229.364	2.432	70	20	BEID	
CC(C)c1cnc(N2CCOCC2)s1	159472942	TWZFZBOPXLZEIH-UHFFFAOYSA-N	212.318	2.103	70	20	BEID	
COc1ccc(O)c(C(=O)N2CC=C(C)CC2)c1	160229818	RGPNSMQXZURLEF-UHFFFAOYSA-N	247.294	2.193	70	20	BEID	
CC(C)[C@H](N)C(=O)N[C@H](C)[C@H](C)c1ccccc1	160894149	KYDXVOMPPKTLMN-SCRDCRAPSA-N	248.370	2.278	70	20	BEID	
CC[C@H]1CCCC[C@@H]1NCc1nnnn1C1CC1	161429962	AFPBHBSQWAHLCQ-JQWIXIFHSA-N	249.362	2.066	70	20	BEID	
COc1ccc(CCNC(=O)N2CCCC2)cc1	217511347	QAPGNWWBHHMDFT-UHFFFAOYSA-N	248.326	2.043	70	20	BEID	
CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161503466	IYQSYUANTBEIPK-UHFFFAOYSA-N	219.244	2.245	70	20	BEID	
C[C@H]1CCC[C@H](OCCS(=O)(=O)Cl)C1	112356662	IBMBGEOCXQGXSH-IUCAKERBSA-N	240.752	2.150	70	20	BEID	
Cc1cc(N[C@H](C)c2nc(C(C)C)no2)nn1C	159581901	VNDNURWCTLCAHR-SECBINFHSA-N	249.318	2.408	70	20	BEID	
CCCC1(CNC(=O)[C@H](C)OCC2CC2)CC1	160568416	WHROHJMFMWBHRV-NSHDSACASA-N	239.359	2.498	70	20	BEID	
CCN1CCCC[C@H]1CN[C@@H](C)C(C)C	161170856	NGSGKWJZYLBGOK-STQMWFEESA-N	212.381	2.495	70	20	BEID	
COc1ccccc1CN(C)Cc1c[nH]nc1C	160426454	DIVKMYKRLSLWTN-UHFFFAOYSA-N	245.326	2.359	70	20	BEID	
CCOCC(=O)N[C@@H](C)C1CCCCCC1	160670125	XYFQCRYRSIUDLY-NSHDSACASA-N	227.348	2.498	70	20	BEID	
CSC[C@H](C)NC(=O)c1cccc2[nH]cnc12	159612354	WGGDIJATHVXVSY-QMMMGPOBSA-N	249.339	2.044	70	20	BEID	
CC[C@H](N)C(=O)NC(C)(C)c1cccc(C)c1	161162413	OXWXBZHHXBJKBU-LBPRGKRZSA-N	234.343	2.084	70	20	BEID	
Cc1cc(CN[C@@H](C)c2cscn2)on1	161190104	SBGSDBLAAKSJJL-QMMMGPOBSA-N	223.301	2.290	70	20	BEID	
CCC(N)(CC)CNC(=O)C[C@@H]1CC[C@H](C)C1	160503597	AGDAILRYGGGIMD-NWDGAFQWSA-N	240.391	2.446	70	20	BEID	
C[C@H](c1ccco1)N(C)Cc1nccn1C	160868465	BPCIBZFQKDKCIC-SNVBAGLBSA-N	219.288	2.206	70	20	BEID	
C[C@H](NCc1nccs1)c1cscn1	161159839	LDRLXAFLMXDAFW-ZETCQYMHSA-N	225.342	2.450	70	20	BEID	
C[C@H](NCCc1cscn1)c1cscn1	161227936	FPBPAYSDCLEUNU-QMMMGPOBSA-N	239.369	2.493	70	20	BEID	
N[C@H]1CCC[C@H](NC(=O)C2CCCCCC2)C1	161312647	SCPCYBWKRQCNKO-STQMWFEESA-N	238.375	2.343	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)CCOC(C)C	159601641	YUANXJSFELECOF-RYUDHWBXSA-N	227.348	2.496	70	20	BEID	
COCCCCN[C@@H](C)c1cscn1	161156370	FTHMMEYBPYJBQC-VIFPVBQESA-N	214.334	2.220	70	20	BEID	
CCC[C@H](O)CNc1nnc(Cl)c(C)c1C	218142903	KFUSJFLHIBEGTC-VIFPVBQESA-N	243.738	2.320	70	20	BEID	
CCCOC[C@@H](CS(=O)(=O)Cl)C(C)C	114434585	AEXYYUCLILIVRB-VIFPVBQESA-N	242.768	2.254	70	20	BEID	
CCOCCC(=O)N[C@H]1CCC[C@H]1CC	159668575	HZZCCMHWKUPALP-MNOVXSKESA-N	213.321	2.108	70	20	BEID	
CCC[C@H](CC)NC(=O)[C@@H]1CCn2ccnc2C1	160874778	MJVUAOOXJIUALC-NEPJUHHUSA-N	249.358	2.140	70	20	BEID	
CCCCSCCC(=O)NC[C@@H](C)CCO	161028831	FVPDORVPNUYUDT-NSHDSACASA-N	247.404	2.045	70	20	BEID	
C[C@H](NC(=O)C(F)F)c1ccc(F)c(F)c1	217637390	WNCXFALNSBKLGQ-YFKPBYRVSA-N	235.180	2.407	70	20	BEID	
O=S(=O)(Cl)CC#Cc1ccc(Cl)cc1	307610906	HZRZVTYXUAXMMF-UHFFFAOYSA-N	249.118	2.260	70	20	BEID	
c1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1	159621253	HCQALCFCCICVSB-IHRRRGAJSA-N	244.338	2.129	70	20	BEID	
CC1(C)C[C@H](NCc2cncs2)CCO1	160430929	PBHMVRXGWMJXGA-SECBINFHSA-N	226.345	2.190	70	20	BEID	
Cc1c(C(=O)N(C)C(C)C)cnn1CC(C)C	161446145	WDPOIDIFZCUQRN-UHFFFAOYSA-N	237.347	2.328	70	20	BEID	
CCc1ncnc(N[C@H](C)[C@@H]2CCOC2)c1F	218040824	DDOAHWOCVFIWDC-RKDXNWHRSA-N	239.294	2.015	70	20	BEID	
C[C@@H]1CC(C)(C)C[C@H]1S(=O)(=O)Cl	235327332	GPTVHQAIOPCLDX-RNFRBKRXSA-N	210.726	2.380	70	20	BEID	
COCCCC(=O)Nc1cc(C2CC2)nc(C)n1	160127431	RBBOATGPDMJQBB-UHFFFAOYSA-N	249.314	2.028	70	20	BEID	
C[C@H](CN1CCC2(C1)OCCO2)c1ccccc1	160607235	AXBGVYRWODOFHI-CYBMUJFWSA-N	247.338	2.239	70	20	BEID	
Cc1ncsc1C(=O)NCC1(C2CC2)CC1	160061096	LFNYMWACHKAFMO-UHFFFAOYSA-N	236.340	2.372	70	20	BEID	
CCNC(=O)N[C@](C)(CC)c1nccs1	160792455	DYPKURHDTYUYPA-SNVBAGLBSA-N	227.333	2.087	70	20	BEID	
CSCCNCc1cc(F)cc(F)c1	159587814	JQNBCHBRAIBGHW-UHFFFAOYSA-N	217.284	2.417	70	20	BEID	
C[C@@H](CCC(C)(C)C)NC(=O)C[C@H]1CCCN1	159773980	RYUOCXPXTWVVEW-NWDGAFQWSA-N	240.391	2.460	70	20	BEID	
O=C(NCCCc1ccccc1)C(F)F	217637653	BJJYKTSYKPJXBF-UHFFFAOYSA-N	213.227	2.001	70	20	BEID	
CCSCCN1CCC[C@@H](c2ccn[nH]2)C1	159430066	NIXGRWSPQWDGAB-LLVKDONJSA-N	239.388	2.342	70	20	BEID	
C/C=C/C=C/C(=O)NCC1(C2CC2)CC1	159932353	PPTAKPCNALHKFR-MQQKCMAXSA-N	205.301	2.425	70	20	BEID	
CCC(C)(C)NC(=O)NCC1(CCOC)CC1	160952824	WLTRPZBGTUBTOW-UHFFFAOYSA-N	242.363	2.291	70	20	BEID	
C[C@H]1C[C@H](C)CC[C@@H]1S(=O)(=O)Cl	222387231	XCTIARNRCCQAQE-CSMHCCOUSA-N	210.726	2.380	70	20	BEID	
CC[C@H](C)c1cc(C(=O)NCC2CC2)on1	159646323	RLFUSFLIORLKAY-QMMMGPOBSA-N	222.288	2.328	70	20	BEID	
CCCCn1ncc(NC(=O)NCC)c1C	159712952	NSWKGDMILWOYMR-UHFFFAOYSA-N	224.308	2.133	70	20	BEID	
COC(=O)[C@@H](C)N(C)CCC1CCCCC1	160193461	AMDDEHKCITZJDZ-LLVKDONJSA-N	227.348	2.450	70	20	BEID	
Cc1ccc(C)c(-n2ncc(NC(N)=O)c2C)c1	160708586	KHSBNDIHMWOFNX-UHFFFAOYSA-N	244.298	2.288	70	20	BEID	
C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H]2CCCNC2)C1	160936119	FVGBALZWDWSBJH-JHJVBQTASA-N	238.375	2.023	70	20	BEID	
CCCn1nc(C)c(C(=O)N[C@H](C)CC)c1C	161113096	WJQWIFMOXNVLCI-SECBINFHSA-N	237.347	2.438	70	20	BEID	
CCN1CCCC[C@@H]1CN[C@@H](COC)C(C)C	161198933	FEWPJTRIXNVPAI-KGLIPLIRSA-N	242.407	2.121	70	20	BEID	
COC[C@@H](N[C@@H](C)c1cscn1)C(C)C	161211230	HXKMGMQGRVZSBW-VHSXEESVSA-N	228.361	2.465	70	20	BEID	
C[C@@H]1SCCN(Cc2cnc(N)s2)[C@H]1C	161286827	WNMWYWUSLQKLDE-YUMQZZPRSA-N	243.401	2.051	70	20	BEID	
CC[C@]1(C)CNc2ccccc2C(=O)N1	216637436	OYIWZNSNGTYLPD-GFCCVEGCSA-N	204.273	2.011	70	20	BEID	in-vitro
CCOC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C	216800127	VHNWLPBZIPWUSY-VIFPVBQESA-N	245.319	2.195	70	20	BEID	
COc1ccnc(Oc2cccnc2Cl)n1	217233626	OYZMIKVETJFCKE-UHFFFAOYSA-N	237.646	2.326	70	20	BEID	
CC(C)S(=O)(=O)CCCN1CCCC[C@H]1C	160496920	AANOHBVRWCPZOM-GFCCVEGCSA-N	247.404	2.074	70	20	BEID	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C(C)(C)N	160902904	DKFMDNXGWFYDQV-AAEUAGOBSA-N	246.354	2.128	70	20	BEID	
CCCNCCNCc1cccc(Cl)c1	161342972	RHAFZGFCAFXDHE-UHFFFAOYSA-N	226.751	2.429	70	20	BEID	
CCc1ncnc(N[C@@H]2CCCSC2)c1F	218057573	ZOCJBRYTJHSEEY-MRVPVSSYSA-N	241.335	2.486	70	20	BEID	
CC(C)CC[C@@H](C)NC(=O)[C@H]1CCCCO1	159563885	ONDUQODRRZKBRU-VXGBXAGGSA-N	227.348	2.496	70	20	BEID	
CCCCN(C)c1nc(Cl)nc2nc[nH]c12	160184491	DROIBKHMFQNPFS-UHFFFAOYSA-N	239.710	2.243	70	20	BEID	
C[C@H](CO)N(C)C(=O)CC(C)(C)c1ccccc1	160553766	FVWPMIJHOZYKKO-GFCCVEGCSA-N	249.354	2.194	70	20	BEID	
CCc1ccccc1C(=O)NC1CCN(C)CC1	160692264	TXORGJCQSDEAIF-UHFFFAOYSA-N	246.354	2.073	70	20	BEID	
CC(C)C[C@H](N)c1nc([C@@H]2C[C@@H]2C)no1	161007295	OQJBGNULXCEAPZ-YIZRAAEISA-N	209.293	2.239	70	20	BEID	
CC(=O)c1ccc(OCc2ccnn2C)cc1	161198847	DYNRNTFPVUGNTH-UHFFFAOYSA-N	230.267	2.202	70	20	BEID	
CCNCCNCc1ccc(Cl)c(C)c1	161292511	FELJJHRUQIJJBB-UHFFFAOYSA-N	226.751	2.348	70	20	BEID	
C[C@H](NCCc1nccs1)c1cscn1	161180239	BCRFZZCHVRJERP-QMMMGPOBSA-N	239.369	2.493	70	20	BEID	
Cc1ccccc1SCc1nncn1C	161033813	FKBBHANMVXKTHR-UHFFFAOYSA-N	219.313	2.416	70	20	BEID	
CSCC[C@H](C)N[C@H]1CCCOCC1	161453952	IPRJTBLPGQRKSQ-QWRGUYRKSA-N	217.378	2.287	70	20	BEID	
Cc1nc(NC(=O)[C@H]2CCCCO2)sc1C	159984660	SUZRBKAXCWZNKC-SECBINFHSA-N	240.328	2.268	70	20	BEID	
C[C@H]1CCC[C@H](C(=O)N(C)Cc2cnn(C)c2)C1	160251739	RAZKTZGGWSDYLI-AAEUAGOBSA-N	249.358	2.205	70	20	BEID	
CCN(CC)C(=O)N1CC[C@@H](C)[C@H](C)C1	160898565	IKYYBZXZGGOVQQ-GHMZBOCLSA-N	212.337	2.426	70	20	BEID	
CC(C)NC(=O)CN[C@@H]1c2ccccc2C[C@@H]1C	160937873	JILVBKKDPVNSRR-NHYWBVRUSA-N	246.354	2.034	70	20	BEID	
CCC[C@@H](N)C(=O)N[C@H](C)CCC(C)(C)C	161231131	QHHNRYFLDKSPPM-GHMZBOCLSA-N	228.380	2.445	70	20	BEID	
CC(C)n1nc(C2CC2)cc1S(=O)(=O)Cl	203479445	QVXYYJKYXCBNHI-UHFFFAOYSA-N	248.735	2.269	70	20	BEID	
OCc1ccc(Sc2cccnn2)cc1	160457846	YAOFBZGTUCRSQH-UHFFFAOYSA-N	218.281	2.120	70	20	BEID	
Cc1ccnc(N[C@H]2CCN(C)[C@H](C)C2)c1	161184116	UIFIFYRFPFHOTL-NEPJUHHUSA-N	219.332	2.285	70	20	BEID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cccn1	161277266	HNGWBPWGHLJBIS-QWHCGFSZSA-N	249.358	2.310	70	20	BEID	
CC(C)N(C)C(=O)Cc1ccc(O)cc1Cl	161429830	HVCCWVJFAOJMHE-UHFFFAOYSA-N	241.718	2.455	70	20	BEID	
CCOCCC1(C(=O)N[C@@H](C)CC)CCC1	160551548	INQQIFXABRIZGZ-NSHDSACASA-N	227.348	2.498	70	20	BEID	
Cc1ccsc1C(=O)N[C@H]1CCC[C@H](N)C1	160964973	UHEYAGJJMAWSBZ-UWVGGRQHSA-N	238.356	2.056	70	20	BEID	
CS[C@@H](C)CNCc1cc(O)cc(F)c1	159616006	QXGLYTUCXCFBTN-QMMMGPOBSA-N	229.320	2.372	70	20	BEID	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H](C)N	159755607	ODZSFYKHIRUEKN-AAEUAGOBSA-N	234.343	2.189	70	20	BEID	
CCCCO[C@H](C)C(=O)NC1CC=CC1	160775544	BQLYUBXITWNGLB-SNVBAGLBSA-N	211.305	2.026	70	20	BEID	
CN(Cc1cccn1C)C(=O)[C@H]1CC=CCC1	160850964	ULQPSOQLZQRTLX-LBPRGKRZSA-N	232.327	2.340	70	20	BEID	
Cc1ccnc(N[C@@H]2CCN3CCC[C@@H]3C2)c1	161182943	VYTDINQWXPKYPK-CHWSQXEVSA-N	231.343	2.429	70	20	BEID	
CC[C@H](C)CN[C@@H]1CCN2CCCC[C@@H]12	217633855	KQQHOWAEAOROFD-XQQFMLRXSA-N	210.365	2.249	70	20	BEID	
CC1=C(C)C[C@@H](S(=O)(=O)Cl)CC1	97972415	XPALHSKSKCJRBO-QMMMGPOBSA-N	208.710	2.444	70	20	BEID	
C[C@H](Cc1ccc(F)cc1)S(=O)(=O)Cl	103906892	MKXYSPSJKIBNLJ-SSDOTTSWSA-N	236.695	2.325	70	20	BEID	
C[C@H]1C[C@@H](S(=O)(=O)Cl)CC[C@H]1C	113252154	HWBPUZMKZJECMK-CSMHCCOUSA-N	210.726	2.380	70	20	BEID	
CCCCNC(=S)NC[C@@H](C)SC	159577773	BDNIUWUCLBDKNM-MRVPVSSYSA-N	220.407	2.002	70	20	BEID	
CCNCCNCc1ccc(C)c(C)c1	161297404	CLRQTIIAHJGHRG-UHFFFAOYSA-N	206.333	2.003	70	20	BEID	
CC[C@@H](CSC)NCC1CCN(C)CC1	217328552	JLYGQCILCZQCJJ-LBPRGKRZSA-N	230.421	2.059	70	20	BEID	
CCc1ncnc(NCCC2CC2)c1F	218045883	FDKQOKYWGSATHL-UHFFFAOYSA-N	209.268	2.390	70	20	BEID	
C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(F)n2)C1	160736142	MXIXIJWAUHPYRZ-RKDXNWHRSA-N	222.263	2.091	70	20	BEID	
C[C@@H]1CCC[C@H](C(=O)N2CCSCC2)C1	160817599	HQWUDCNFMXHYIK-MNOVXSKESA-N	227.373	2.388	70	20	BEID	
Cc1cc(C(=O)N(C)[C@@H](C)c2ccco2)ncn1	161490421	UJHUPLASNZKZOB-JTQLQIEISA-N	245.282	2.211	70	20	BEID	
FC(F)(F)CCCCNC(=S)NC1CC1	159578993	WPNFFEKMIYZGCB-UHFFFAOYSA-N	240.294	2.346	70	20	BEID	
CC[C@H](CSC)NCc1cncn1CC	217327741	BLQZWHULJIOGDK-SNVBAGLBSA-N	227.377	2.134	70	20	BEID	
Cc1cc(Cn2cnc3c2CCCC3)on1	160725285	GVRAFZQNUWNIMO-UHFFFAOYSA-N	217.272	2.107	70	20	BEID	
CC(C)CN1CCC[C@@H](c2nnc3n2CCC3)C1	161395584	DEWBUTGVGKGNGR-GFCCVEGCSA-N	248.374	2.060	70	20	BEID	
CC[C@@H](CO[C@@H](C)CC)CS(=O)(=O)Cl	114433436	SGFYGWFJSJYBMR-IUCAKERBSA-N	242.768	2.396	70	20	BEID	
CC(C)CNC(=S)N[C@H]1CCOC(C)(C)C1	159749403	UMUDUAQOXVRMJY-JTQLQIEISA-N	244.404	2.064	70	20	BEID	
C[C@H]1CCC[C@H](CNc2ccc(C(N)=O)cn2)C1	217927620	SQKCJPOSXNHEED-QWRGUYRKSA-N	247.342	2.419	70	20	BEID	
OCCCCN1CC[C@H]2CCCC[C@@H]2C1	217930006	ACZWNTBTOOCWNE-CHWSQXEVSA-N	211.349	2.271	70	20	BEID	
CC(C)n1nccc1C(=O)Nc1cccc(F)n1	160541512	HGLIZCKPYFEWSZ-UHFFFAOYSA-N	248.261	2.250	70	20	BEID	
CCN(C(=O)[C@@H]1CCCCO1)C1CCCC1	161211411	NBCASZPEOMVVPL-LBPRGKRZSA-N	225.332	2.347	70	20	BEID	
CCSCCN1CCC(CCNC)CC1	161301726	SEWXGTSFLSNQBS-UHFFFAOYSA-N	230.421	2.061	70	20	BEID	
c1cn(CCN(C2CCCC2)C2CC2)cn1	161378189	BIVOFOLAPWDSTM-UHFFFAOYSA-N	219.332	2.290	70	20	BEID	
CC[C@@H](C(=O)NCC1(CC)CCCC1)N(C)C	159406283	KSVRAYQCXNSPDI-LBPRGKRZSA-N	240.391	2.413	70	20	BEID	
CCC[C@H](C)CC(=O)N[C@@H](C)CC(=O)OCC	160381060	ZOZRUTGCWITNPX-QWRGUYRKSA-N	243.347	2.271	70	20	BEID	
CCC(CC)n1nccc1C(=O)NC1CC1	160514544	VCTBKWJVGVRNBF-UHFFFAOYSA-N	221.304	2.136	70	20	BEID	
CCSCCN1CCS[C@H](C)C1	160582695	CLRYTXYBSOJOHE-SECBINFHSA-N	205.392	2.177	70	20	BEID	
CC[C@@]1(C)CCCN(C(=O)[C@H]2CCCNC2)C1	160777780	QIBKSHTZDOFFON-JSGCOSHPSA-N	238.375	2.025	70	20	BEID	
COC(=O)[C@H](NC1CC=CC1)c1ccccc1F	160899139	QOGDCKGNOSCYPC-CYBMUJFWSA-N	249.285	2.348	70	20	BEID	
O=S(=O)(Cc1nccs1)c1ccccc1	161142775	TWSGGKAUWZBMPM-UHFFFAOYSA-N	239.321	2.117	70	20	BEID	
COC(=O)c1cccc(N[C@H](C)[C@H](C)OC)c1	161153087	PKORQIPWEONHDU-ZJUUUORDSA-N	237.299	2.309	70	20	BEID	
Cc1noc(NC(=O)[C@@H]2CCC[C@H](C)C2)n1	161248648	RRVYANUWEZOWRB-IONNQARKSA-N	223.276	2.143	70	20	BEID	
CC[C@@H](NC(=O)N[C@H]1CCOC1)c1ccccc1	159372641	CJTBDRXKEMOAEC-QWHCGFSZSA-N	248.326	2.226	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCOC1	159538306	XFEHXZWPLNEHQX-FRRDWIJNSA-N	239.359	2.498	70	20	BEID	
C[C@@]1(Nc2cnc3ccccc3n2)CCOC1	159999014	SCAFIQDBLYYMSU-CYBMUJFWSA-N	229.283	2.221	70	20	BEID	
CCC[C@@H](C(=O)NC[C@H](C)CCO)C(C)C	160055471	MCYAJWYGXVYXIP-VXGBXAGGSA-N	229.364	2.193	70	20	BEID	
CC(C)CCN(C)Cc1ccc(CO)o1	161157381	METOIYPCSOWBMI-UHFFFAOYSA-N	211.305	2.250	70	20	BEID	
Cc1cccc(C(=O)N(C)C2CC2)c1F	161457662	RICQSBOMWSPJSF-UHFFFAOYSA-N	207.248	2.369	70	20	BEID	
COc1cc(NCc2ccnn2C)ccc1F	160066747	XUWODPXLQJORDM-UHFFFAOYSA-N	235.262	2.180	70	20	BEID	
CC(C)CCCNC(=O)N1CCO[C@@H](C)[C@@H]1C	159615036	ABZCMOWMLLNUHA-RYUDHWBXSA-N	242.363	2.241	70	20	BEID	
Cc1ccc(C(=O)NCC2(C3CC3)CC2)n1C	159897256	PRXGGRKFINIFAK-UHFFFAOYSA-N	232.327	2.254	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)CCC(C)(C)C	160385264	PXRTWWYQMVBWSN-SNVBAGLBSA-N	243.347	2.271	70	20	BEID	
O=C(N1CC=C(C(F)(F)F)CC1)C(F)(F)F	160584481	CZARNKLOMVCUGI-UHFFFAOYSA-N	247.138	2.270	70	20	BEID	
CN(CC[C@@H]1CCCN1C)Cc1cscn1	161458590	FFVWAKWGBSKQRB-LBPRGKRZSA-N	239.388	2.059	70	20	BEID	
O=S(=O)(F)c1cnc(Cl)cc1Cl	675066240	ZRGMTYXSSQWYEQ-UHFFFAOYSA-N	230.047	2.047	70	20	BEID	
COC[C@@H](NC(=O)Nc1ccsc1)C1CC1	160927093	QTEYUAUVCZTRKM-SNVBAGLBSA-N	240.328	2.295	70	20	BEID	
COCc1nc(C)cc(Oc2ccc(F)nc2)n1	161249359	FPPDGBMLPYYUAF-UHFFFAOYSA-N	249.245	2.258	70	20	BEID	
CC(C)(C)CCOCCS(=O)(=O)Cl	117663100	VIFDQZRVMYBBKR-UHFFFAOYSA-N	228.741	2.008	70	20	BEID	
CCSCCN1CCC[C@H](c2ccn[nH]2)C1	159429929	NIXGRWSPQWDGAB-NSHDSACASA-N	239.388	2.342	70	20	BEID	
COC(CN1C[C@H](c2ccccc2)C[C@@H]1C)OC	161129132	GIBINJGIGLOFIE-GXTWGEPZSA-N	249.354	2.483	70	20	BEID	
c1cc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccn1	159622474	LWKSHOHKIAFUOL-RDBSUJKOSA-N	244.338	2.129	70	20	BEID	
CCN(CC)C(=O)N(C)CCc1nccs1	159606932	UIUUAZPWGUQKFT-UHFFFAOYSA-N	241.360	2.079	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccnc(OC)c1	160833007	HXGHHGQOCWVFKQ-SMDDNHRTSA-N	248.326	2.143	70	20	BEID	
CCc1cnc(NC(=O)NOCC(C)C)s1	160620228	SCLCBKCPMAORBS-UHFFFAOYSA-N	243.332	2.415	70	20	BEID	
Cc1ncsc1C(=O)N(C)Cc1cccn1C	160622414	PBUBEWZQVBOYGJ-UHFFFAOYSA-N	249.339	2.062	70	20	BEID	
O=C(Nc1cc(Cl)ccn1)NC1CC1	217304166	YAMAHQRQXJWIKN-UHFFFAOYSA-N	211.652	2.019	70	20	BEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCOC	161296529	KSHKMZSJTKOMJW-VXGBXAGGSA-N	227.348	2.450	70	20	BEID	
CC[C@@H]1CCCC[C@@H]1NCCCNC(C)=O	161409602	FQEMLBQJJYINHU-OLZOCXBDSA-N	226.364	2.071	70	20	BEID	
CCN(CCc1ccccc1)CC(OC)OC	160599172	QMMSMFNYEUHSKB-UHFFFAOYSA-N	237.343	2.170	70	20	BEID	
CC(C)CCC(=O)NOCc1cccnc1	160852750	UBPQCTHIMUQBCI-UHFFFAOYSA-N	222.288	2.066	70	20	BEID	
Cc1cc(NC(=O)c2cccc(C)c2F)n(C)n1	161446692	ZVYWWNPQVJAUOW-UHFFFAOYSA-N	247.273	2.428	70	20	BEID	
CC(C)C[C@](C)(F)CS(=O)(=O)Cl	1537958611	FXYHYOMZMSFRSY-ZETCQYMHSA-N	216.705	2.329	70	20	BEID	
CCO[C@H](C)C(=O)N[C@H]1CCC[C@H]1CC	159808489	HRCDNURPHYUWRK-MXWKQRLJSA-N	213.321	2.106	70	20	BEID	
C[C@@H](N[C@H]1CCCC[C@@H]1O)c1cscn1	161199206	JQXBHYOYZBRUHQ-YWVKMMECSA-N	226.345	2.097	70	20	BEID	
CC1(C)CCC(C(=O)NCCn2cccn2)CC1	159675242	YBLLYZVSOQXKLM-UHFFFAOYSA-N	249.358	2.216	70	20	BEID	
CCCC[C@@H](SC[C@@H](C)CO)C(=O)OC	160802073	OZMPVXVDRMDSEZ-VHSXEESVSA-N	234.361	2.080	70	20	BEID	
C[C@H]1CCC[C@H](C(=O)N2CCSCC2)C1	160817751	HQWUDCNFMXHYIK-QWRGUYRKSA-N	227.373	2.388	70	20	BEID	
C[C@H](CC(=O)c1cccs1)NC(=O)C1CC1	160956299	BVJBEPVBOZJGHG-MRVPVSSYSA-N	237.324	2.236	70	20	BEID	
Cc1ccc(CNC(=O)[C@@H]2CCCCO2)c(C)c1	161030748	RTMLSKKJULLDFD-AWEZNQCLSA-N	247.338	2.489	70	20	BEID	
C[C@H]1C[C@@H](C)CN1C(=O)c1ccncc1F	161432412	MLJREEMQFMOMFK-BDAKNGLRSA-N	222.263	2.091	70	20	BEID	
CCOCCN(C)C(=S)NC1CCCCC1	161486050	AHWJYNDVPWKTIG-UHFFFAOYSA-N	244.404	2.162	70	20	BEID	
O=C(C(F)F)N1CC[C@@H]2CCCC[C@H]2C1	217640765	AKUDXMSFZZBMCO-IUCAKERBSA-N	217.259	2.290	70	20	BEID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)COC	160770401	XCJNNOCOPXOZHJ-QWRGUYRKSA-N	213.321	2.060	70	20	BEID	
CC(C)C[C@H](C)OCCCS(=O)(=O)Cl	112155249	PQMICUZDODNYAZ-VIFPVBQESA-N	242.768	2.396	70	20	BEID	
C[C@@H](Nc1cn[nH]c(=O)c1Cl)C1CCC1	160069657	PWRRVOWJZGMPPK-ZCFIWIBFSA-N	227.695	2.024	70	20	BEID	
COc1cccnc1NC[C@@]1(C)CCCO1	160251476	XBHMYBYBFSWLJN-GFCCVEGCSA-N	222.288	2.071	70	20	BEID	
CCC(CC)CNC(=O)N1CCOC[C@H]1CC	160593589	MJSJWIOFBFVMHT-GFCCVEGCSA-N	242.363	2.243	70	20	BEID	
C[C@@H]1CCCN1CCCN1CCCCC1	161333563	NOPMVSKXKJMOER-CYBMUJFWSA-N	210.365	2.347	70	20	BEID	
Cc1ccccc1[C@H](C)N(C)C[C@@H](C)O	159376200	YPBXWKCPFXEZMY-NEPJUHHUSA-N	207.317	2.369	70	20	BEID	
COC(=O)CN(CCC1CCCC1)C(C)C	159601652	BZOPXZPROSYILS-UHFFFAOYSA-N	227.348	2.450	70	20	BEID	
c1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1	159621305	HCQALCFCCICVSB-MCIONIFRSA-N	244.338	2.129	70	20	BEID	
COc1cc(C)ccc1CNc1cnccn1	160524168	SRSMHLARLASHSK-UHFFFAOYSA-N	229.283	2.406	70	20	BEID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)C1CCCC1)CC2	160536104	QWJNMKXZFDEWMH-MFKMUULPSA-N	248.374	2.070	70	20	BEID	
O=S(=O)(Cl)C[C@H](F)c1ccsc1	1537958832	NYYGHTWLRPUPHD-LURJTMIESA-N	228.697	2.327	70	20	BEID	
CC[C@@H](COCC1CC1)CS(=O)(=O)Cl	114433406	RYDTWOXAGHQZNN-QMMMGPOBSA-N	240.752	2.008	70	20	BEID	
CC[C@H](N)C(=O)N1CCc2ccccc2[C@H]1CC	160133776	QJQDUNZRYBLJHO-UONOGXRCSA-N	246.354	2.260	70	20	BEID	
CCc1cc(O)nc(CN2CCCC[C@@H]2C)n1	160497460	DZWPIEALCHFREQ-JTQLQIEISA-N	235.331	2.119	70	20	BEID	
COc1ccc(NC(=O)C2(C)CCC2)cc1N	161194431	LHXKENJVEDADPA-UHFFFAOYSA-N	234.299	2.406	70	20	BEID	
O=S(=O)(Cl)[C@H]1CC2CCC1CC2	306383567	COWBPBMGWOBSNS-RRQHEKLDSA-N	208.710	2.134	70	20	BEID	
CC[C@@H](CC1CCCCC1)C(=O)NCCO	159391304	UISZHYQTBBNFDV-LBPRGKRZSA-N	227.348	2.092	70	20	BEID	
CC(C)(C)[C@H]1CCN(C(=O)c2cncc(O)c2)C1	160192481	PXFVMJDUSLQJJW-NSHDSACASA-N	248.326	2.295	70	20	BEID	
CCCCNCC(CC)(CC)C(=O)OC	159681388	WKCGEFDBRYOFOQ-UHFFFAOYSA-N	215.337	2.356	70	20	BEID	
Cc1cc(N[C@@]2(C)CCOC2)nc(C(C)C)n1	159998429	CSCALQZMSFEERJ-ZDUSSCGKSA-N	235.331	2.499	70	20	BEID	
CCCCNC(=S)N[C@H](C)C1CCC1	160036363	TZFPMPJZZFMDOH-SECBINFHSA-N	214.378	2.439	70	20	BEID	
CCC(CC)CC(=O)N[C@@H](CO)CC(C)C	160975644	NGQKHAMYAVYLMD-GFCCVEGCSA-N	229.364	2.336	70	20	BEID	
CCOc1ccc(NC(=O)C(F)F)cc1	217598374	PSEHXNDHCPBWNT-UHFFFAOYSA-N	215.199	2.289	70	20	BEID	
CCOCCC1(C(=O)N2CCCC2)CCC1	160562300	LJDTYONZSOTYRE-UHFFFAOYSA-N	225.332	2.206	70	20	BEID	
CCC1(C(=O)N[C@H](CO)CC(C)C)CCC1	161073081	YIXXANIIDGLZPD-NSHDSACASA-N	227.348	2.090	70	20	BEID	
Cn1nccc1COc1ccc(F)cc1F	161268284	BKHFIEPYHDOUIB-UHFFFAOYSA-N	224.210	2.277	70	20	BEID	
CCCC[C@H](C(=O)OC)N(C)CCC	160798909	QXIHLTNPYZBOGL-SNVBAGLBSA-N	201.310	2.060	70	20	BEID	
O=S(=O)(F)Cc1cc(-c2ccccc2)no1	389810945	GBFMUQJFOCFOTG-UHFFFAOYSA-N	241.243	2.141	70	20	BEID	
CCOCCC(=O)N[C@@H]1CCC[C@H]1CC	159668818	HZZCCMHWKUPALP-GHMZBOCLSA-N	213.321	2.108	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)SC	159768874	UXEYPRFHQRPJDO-KXUCPTDWSA-N	215.362	2.433	70	20	BEID	
CCOCCN(CC)CCCN1CCCCC1	161015754	DWOKZCXBMLJVEZ-UHFFFAOYSA-N	242.407	2.221	70	20	BEID	
Cc1ccnc(Oc2ccc(F)nc2)n1	161239280	MVJXSXWCXMGZSH-UHFFFAOYSA-N	205.192	2.111	70	20	BEID	
CC(C)C[C@@](C)(F)CS(=O)(=O)Cl	1537958610	FXYHYOMZMSFRSY-SSDOTTSWSA-N	216.705	2.329	70	20	BEID	
CCC[C@](C)(F)CS(=O)(=O)Cl	1537959018	UISYICXNAKAXFH-LURJTMIESA-N	202.678	2.083	70	20	BEID	
CCC(CC)n1nccc1C(=O)NC(C)C	160550106	QDQQFODBGAQAHX-UHFFFAOYSA-N	223.320	2.382	70	20	BEID	
CC(C)CN1CCC[C@@H]1CNC(=O)CC1CC1	160532667	NUWXIFIMMWMARB-CYBMUJFWSA-N	238.375	2.023	70	20	BEID	
CCCC1(CNC(=O)c2cc(C)nn2C)CC1	160630855	NWGIQZGCGDMUHF-UHFFFAOYSA-N	235.331	2.039	70	20	BEID	
C[C@@H](NC[C@]1(C)CCCO1)c1cscn1	161221785	NWNOOQGDQISKKF-KOLCDFICSA-N	226.345	2.363	70	20	BEID	
O=S(=O)(Cl)[C@H]1CCCCC[C@@H]1F	238833326	APFQILICRAHSBO-BQBZGAKWSA-N	214.689	2.226	70	20	BEID	in-vitro
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@H]1C1CC1	159709250	KIMAWKFBTQZCJG-RYUDHWBXSA-N	219.328	2.339	70	20	BEID	
CC[C@@H](CC(=O)N(C)[C@H](C)CO)c1ccccc1	160450137	RNJISYKGJXTUHP-OLZOCXBDSA-N	249.354	2.410	70	20	BEID	
CC1=CCN(C(=O)c2cccc(F)n2)CC1	160753316	YCEGURLVVZUXFC-UHFFFAOYSA-N	220.247	2.013	70	20	BEID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2)C1	161198303	BGJAMGDICSASRC-ZIAGYGMSSA-N	246.354	2.005	70	20	BEID	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)Cl	306316482	RKRKRKOBYFYLQZ-RYPBNFRJSA-N	222.737	2.380	70	20	BEID	
CCCCN(CC)C(=O)[C@H]1CCCCO1	160611099	FDJQIWUBAQBSKW-LLVKDONJSA-N	213.321	2.204	70	20	BEID	
CC1(C)C[C@@H](Nc2ccccn2)CCO1	160667367	FSJPDGJDLZTXIS-JTQLQIEISA-N	206.289	2.451	70	20	BEID	
CCCC[C@H](SCCOC)C(=O)OC	160787935	TVJWQUJJDWMDDP-VIFPVBQESA-N	220.334	2.098	70	20	BEID	
C[C@H](O)CCNC/C=C\c1ccccc1	217012956	BEFCHYLSYDGSAP-JECSTDCCSA-N	205.301	2.060	70	20	BEID	
CCNc1nc(C(C)(C)C(=O)OCC)cs1	159770786	PECWHIWEBHACJT-UHFFFAOYSA-N	242.344	2.416	70	20	BEID	
CC(C)CC(=O)N(C)Cc1cccn1C	160507174	SECQLZOBPFOEHB-UHFFFAOYSA-N	208.305	2.030	70	20	BEID	
CC[C@H](O)CCNC(=O)C(C)(CC)CC	159438012	ONOOCWWUJCLOKE-JTQLQIEISA-N	215.337	2.090	70	20	BEID	
Cc1cc(NC(=O)CCC(C)(C)C)c[nH]c1=O	159567262	YAOLLVKETWLWMZ-UHFFFAOYSA-N	236.315	2.448	70	20	BEID	
CCC(N)(CC)CNC(=O)C[C@H]1CC[C@@H](C)C1	160504007	AGDAILRYGGGIMD-NEPJUHHUSA-N	240.391	2.446	70	20	BEID	
Cc1nccn1CCCCN1CCCC1	161252991	VLGJMFWVTIDNKM-UHFFFAOYSA-N	207.321	2.068	70	20	BEID	
CCOCCCn1ccnc1[C@H](C)OCC	161491847	LLORVVGNPBBYGY-NSHDSACASA-N	226.320	2.407	70	20	BEID	
COC(CN1C[C@@H](c2ccccc2)C[C@H]1C)OC	161128797	GIBINJGIGLOFIE-OCCSQVGLSA-N	249.354	2.483	70	20	BEID	
Cc1occc1C(=O)N(C)Cc1cccn1C	160522386	RKIACVYYWGOKGA-UHFFFAOYSA-N	232.283	2.199	70	20	BEID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CCCNC1	161231464	MNFQUWHMFZXMGW-RYUDHWBXSA-N	240.391	2.317	70	20	BEID	
O=S(=O)(Cl)/C=C/c1ccccc1F	102300023	CIJAPQWSEHDXFM-AATRIKPKSA-N	220.652	2.365	70	20	BEID	
CNc1ncccc1C(=O)NCCC(C)(C)C	159449680	BAKYPNYKKGIQIX-UHFFFAOYSA-N	235.331	2.289	70	20	BEID	
CCCN(CCC)CCCS(=O)(=O)C(C)C	160764080	AGEYYZPURFVRKT-UHFFFAOYSA-N	249.420	2.322	70	20	BEID	
Cc1ncsc1CNC(=O)NC1(C)CCC1	160794371	MZMGMHOCDIXRTL-UHFFFAOYSA-N	239.344	2.193	70	20	BEID	
C[C@H](NC[C@H]1CCCCO1)c1cscn1	161171749	YJUJIOGTQFYETN-VHSXEESVSA-N	226.345	2.363	70	20	BEID	
CC1(C)SC(=O)N(Cc2nccs2)C1=O	161404626	IZGQCSJDQGJZCI-UHFFFAOYSA-N	242.325	2.117	70	20	BEID	
Nc1ccnc(-c2c(F)cccc2F)n1	161433470	UMPFWBFTZSUPDW-UHFFFAOYSA-N	207.183	2.004	70	20	BEID	
CCOc1cc(NCC(C)(C)OC)nc(C)n1	160608914	LVVPWJFLLXAVFH-UHFFFAOYSA-N	239.319	2.021	70	20	BEID	
CCCn1c(C)nnc1CN1[C@@H](C)CC[C@H]1C	161224215	CSYXIUTWZVPJTA-PHIMTYICSA-N	236.363	2.369	70	20	BEID	
CCNCCNCc1ccc(SC)cc1	161289628	ZRAHMSONTHYXAI-UHFFFAOYSA-N	224.373	2.108	70	20	BEID	
CO[C@H]1CCCC[C@@H]1NC[C@@H](O)c1ccccc1	218011340	RZRZBYPIWJSVLN-ZNMIVQPWSA-N	249.354	2.267	70	20	BEID	
CCCC[C@H](N[C@@H](C)C(C)C)C(=O)OC	218057340	YQRWUJMGTKGWGQ-QWRGUYRKSA-N	215.337	2.352	70	20	BEID	
CC[C@@]1(C)CCCN(C(=O)C2CCNCC2)C1	160776156	VBGURRMVIXRUBF-AWEZNQCLSA-N	238.375	2.025	70	20	BEID	
COC[C@@H](C)NC(=S)N[C@H]1CCCC[C@@H]1C	217751603	IFIFWLYJHWXWFM-AXFHLTTASA-N	244.404	2.064	70	20	BEID	
C[C@@H](CCC(F)(F)F)S(=O)(=O)Cl	220462256	OTFZDJWNCITOPG-BYPYZUCNSA-N	224.631	2.286	70	20	BEID	
COC1CCN(C(=O)N2CCCCCC2)CC1	160354495	RUZFOZNZYSYMLZ-UHFFFAOYSA-N	240.347	2.093	70	20	BEID	
C[C@@H](CO)N(C)C(=O)CCCC(C)(C)C	160530029	XDYHHUOCCGWODO-JTQLQIEISA-N	215.337	2.042	70	20	BEID	
CC(C)C(=O)NCCCN[C@H](C)c1ccccc1	159975655	IFFKLRYSPSLXCS-CYBMUJFWSA-N	248.370	2.500	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)cc1	160477570	WIRHFXXEWXXXJI-LLVKDONJSA-N	249.310	2.067	70	20	BEID	
CCO[C@@H](C)c1nccn1C[C@H]1CCOC1	161467856	BSTYDNJFWZYYLH-WDEREUQCSA-N	224.304	2.017	70	20	BEID	
CC1(C)C(CS(=O)(=O)Cl)C1(C)C	156930175	YFIITIBIADVDRF-UHFFFAOYSA-N	210.726	2.237	70	20	BEID	
CCCC1(CN[C@H](C(N)=O)c2ccccc2)CC1	160774249	CMKMYERFHVEDOT-ZDUSSCGKSA-N	246.354	2.383	70	20	BEID	
CCN(Cc1ccccc1C)Cc1nncn1C	160780749	HTDILTMWBLRMPW-UHFFFAOYSA-N	244.342	2.146	70	20	BEID	
CC(C)n1cccc1C(=O)NCc1ccccn1	161332525	QPPVEFNJWSZXCL-UHFFFAOYSA-N	243.310	2.394	70	20	BEID	
CC[C@H](C)CN[C@H]1CCN2CCCC[C@@H]12	217634019	KQQHOWAEAOROFD-AVGNSLFASA-N	210.365	2.249	70	20	BEID	
O=S(=O)(OCc1ccccc1)C(F)(F)F	100321690	QHTRLHAGKRCHKW-UHFFFAOYSA-N	240.202	2.053	70	20	BEID	
Cc1cccc2c(CCC(=O)N(C)C)c[nH]c12	159817186	WKQATVOGNUSITQ-UHFFFAOYSA-N	230.311	2.497	70	20	BEID	
CCCNC(=S)N[C@H](C)C1CCC1	160037383	BWBIFSYVBYEQSZ-MRVPVSSYSA-N	200.351	2.049	70	20	BEID	
CCOC(=O)c1coc(NCCCC2CC2)n1	161414934	GMODNKZIWPRSKN-UHFFFAOYSA-N	238.287	2.453	70	20	BEID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)s1	161419868	BRKJBLPAFQKTBV-NXEZZACHSA-N	238.356	2.056	70	20	BEID	
Cc1ccccc1OCCS[C@@H](C)CO	160706285	OCWXIAHIWUAISR-NSHDSACASA-N	226.341	2.488	70	20	BEID	
CCCCc1noc(CS[C@@H](C)CO)n1	160781071	ISZBKEWNRWDGFK-QMMMGPOBSA-N	230.333	2.026	70	20	BEID	
O=S(=O)(Cc1nccs1)c1cccs1	161197926	XMDLUMICQOGWBM-UHFFFAOYSA-N	245.350	2.179	70	20	BEID	
CN(C(=O)N[C@H]1CCOC1)C1CCCCCC1	159450641	LXDYAQRRHYKQNN-NSHDSACASA-N	240.347	2.140	70	20	BEID	
O=C(NCCc1ccc(Cl)cc1)C(F)F	217631830	SFQQBCMFDUIOBN-UHFFFAOYSA-N	233.645	2.264	70	20	BEID	
C[C@H]1C[C@@H](C)CN1Cc1cccc(N)c1	160517735	FGHFUURMSVFHRF-MNOVXSKESA-N	204.317	2.499	70	20	BEID	
COc1ccc(NC(=O)C2(C)CC2)cc1N	161054802	ZRYLYWIRRCQTDW-UHFFFAOYSA-N	220.272	2.016	70	20	BEID	
Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)oc1C	159583005	RSYCDCMIGUJIQL-UHFFFAOYSA-N	246.266	2.145	70	20	BEID	
CN(Cc1cnc2ccccn12)C1CCC1	160800188	CHRAFJAAHNUZIT-UHFFFAOYSA-N	215.300	2.319	70	20	BEID	
Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)ncn1	161490525	UJHUPLASNZKZOB-SNVBAGLBSA-N	245.282	2.211	70	20	BEID	
NCCCC(=O)NCCCCC1CCCC1	160901469	JIRUTLVLHIHSCK-UHFFFAOYSA-N	226.364	2.202	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ncoc1C	159675930	WFKIMWZOUQOHRS-NXEZZACHSA-N	222.288	2.292	70	20	BEID	
C[C@H]1CO[C@H](C)CN1Cc1cccc(O)c1	217780761	HGKWGCFBWIVYFL-WDEREUQCSA-N	221.300	2.001	70	20	BEID	
CCn1cc(NC(=O)N(C)CCC2CC2)cn1	160907379	AAIRZIXOLILKOI-UHFFFAOYSA-N	236.319	2.167	70	20	BEID	
C[C@H](Cc1ccccc1F)S(=O)(=O)Cl	103906886	GDNVCAQQELVYDZ-SSDOTTSWSA-N	236.695	2.325	70	20	BEID	
O=C(C=C1CCC1)NC[C@H](O)c1ccsc1	159519325	XNDZULLDTDESBA-NSHDSACASA-N	237.324	2.008	70	20	BEID	
CNCCNCc1ccc(Cl)c(Cl)c1	161257677	LAXPMLOXWGKFEP-UHFFFAOYSA-N	233.142	2.302	70	20	BEID	
N[C@@H]1CCC[C@H](NC(=O)C2CCCCCC2)C1	161312826	SCPCYBWKRQCNKO-OLZOCXBDSA-N	238.375	2.343	70	20	BEID	
COc1ccccc1CCNc1cnccn1	217524249	DVBZPUMZQAWPAM-UHFFFAOYSA-N	229.283	2.140	70	20	BEID	
CCC[C@@H](COC(C)C)CS(=O)(=O)Cl	114434543	OQCUCXMPZNFSRH-VIFPVBQESA-N	242.768	2.396	70	20	BEID	
C[C@@H](NC(N)=O)c1ncc(-c2ccccc2)o1	160814691	YZAPTGJFKKCVGM-MRVPVSSYSA-N	231.255	2.071	70	20	BEID	
CN(CC(C)(C)C)C(=O)c1ccncc1F	161402653	MUIXQPHOSCKOIZ-UHFFFAOYSA-N	224.279	2.339	70	20	BEID	
Cc1cccc(F)c1NCc1nonc1C	160315313	HIKCMDNVBGNVDX-UHFFFAOYSA-N	221.235	2.438	70	20	BEID	
NC(=O)NCC1(c2cccc(Cl)c2)CC1	160802257	CTQXUSREOBHSEV-UHFFFAOYSA-N	224.691	2.040	70	20	BEID	
C[C@@]1(O)CCCN(c2ccncc2Cl)C1	160840143	SCBOYZPDXLLSFV-LLVKDONJSA-N	226.707	2.086	70	20	BEID	
CCc1ccc(OCCS(=O)(=O)Cl)cc1	100488471	MLAMBUTUGUYMTD-UHFFFAOYSA-N	248.731	2.196	70	20	BEID	
COc1cc(NCc2c[nH]nc2C)ccc1F	160033222	FCMRHDBCLCOUGL-UHFFFAOYSA-N	235.262	2.478	70	20	BEID	
c1nc2c(n1C[C@H]1CCCCO1)CCCC2	160727210	BNQGYWBVYQNFID-LLVKDONJSA-N	220.316	2.331	70	20	BEID	
Cc1cc(C[C@H](C)NC(=O)[C@@H]2CC=CCC2)n[nH]1	161363351	KIVVUTGSYRPBDE-CMPLNLGQSA-N	247.342	2.122	70	20	BEID	
CCc1ncnc(NC[C@H](C)SC)c1F	218077530	PPPWZGPOVZUNIR-ZETCQYMHSA-N	229.324	2.342	70	20	BEID	
COc1cc(N[C@@H]2CCCN(C)C2)ccc1F	160046531	BYSKDUYSCJDUNO-LLVKDONJSA-N	238.306	2.340	70	20	BEID	
CCC(=O)c1cccc(NC(=O)c2cn[nH]c2)c1	160751419	WMDALMALFWBZGA-UHFFFAOYSA-N	243.266	2.255	70	20	BEID	
N[C@@H]1CCC[C@@H](NC(=O)CCC2CCCC2)C1	161198812	FTOOYBCZMBNPCX-CHWSQXEVSA-N	238.375	2.343	70	20	BEID	
CN(CCCN1CCCCC1)C1CCC1	161270245	BRGIJBOIEQUUPK-UHFFFAOYSA-N	210.365	2.347	70	20	BEID	
CCCC[C@H](COC)NC(=O)NC1(C)CCC1	161379278	FMFAVVZKKQHYHJ-LLVKDONJSA-N	242.363	2.433	70	20	BEID	
CC(C)(C)S(=O)(=O)/C=C/CBr	141421498	PYXKQSHASRNZIU-GQCTYLIASA-N	241.150	2.108	70	20	BEID	
COCCCN(C)OCc1ccccc1	159595569	LCEGDDMALIGPTK-UHFFFAOYSA-N	209.289	2.087	70	20	BEID	
CS[C@H](C)CC(=O)Nc1cc(C)ccn1	159739542	ACUATSDPBCFRNP-SECBINFHSA-N	224.329	2.470	70	20	BEID	
CC(C)CCn1ccc(NC(=O)NC(C)C)n1	160343978	NXRXWERTHAVKCR-UHFFFAOYSA-N	238.335	2.459	70	20	BEID	
C1CO[C@H](CN2CC[C@@H]3CCCC[C@@H]32)C1	159585400	HBCUDYWYNPXAMH-AVGNSLFASA-N	209.333	2.430	70	20	BEID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@@H]1C1CC1	159709643	KIMAWKFBTQZCJG-VXGBXAGGSA-N	219.328	2.339	70	20	BEID	
Cc1nnc(N[C@@H]2CCO[C@@H](C3CC3)C2)s1	160283214	ZPMHFSREXSGEIT-NXEZZACHSA-N	239.344	2.216	70	20	BEID	
CC(C)(C)CCCC(=O)N1CCC[C@H]1CN	160391038	CEQJBHOXTSQDKD-NSHDSACASA-N	226.364	2.153	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCCC12CCC2	307108138	ASSYUQODMAJILB-SSDOTTSWSA-N	208.710	2.278	70	20	BEID	
CCC(C)(C)OC[C@H](C)CS(=O)(=O)Cl	112159659	QQFIFNHGJFSPDK-QMMMGPOBSA-N	242.768	2.396	70	20	BEID	
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccoc1	160764190	PTJUKFWMJQEYDX-GWCFXTLKSA-N	244.294	2.157	70	20	BEID	
CCc1ncnc(N(C)[C@@H]2CCSC2)c1F	160882463	YOTRJXBHLGRDBY-MRVPVSSYSA-N	241.335	2.120	70	20	BEID	
CCC[C@@H](CC)NC(=O)N1CCC[C@@](C)(O)C1	161251209	SDQNBDIYLLLJKY-DGCLKSJQSA-N	242.363	2.122	70	20	BEID	
CC[C@H](CSC)Nc1cc(NC)ncn1	217567632	UHRUVWSRILHFBX-MRVPVSSYSA-N	226.349	2.072	70	20	BEID	
CCCOC(=O)[C@@H](C)N(C)Cc1ccoc1C	159569892	ATWKJVVVFAXSBP-SNVBAGLBSA-N	239.315	2.362	70	20	BEID	
CCCC(=O)N[C@H]1CCOC2(CCCC2)C1	159671302	AINFCGLUBBEXPU-NSHDSACASA-N	225.332	2.395	70	20	BEID	
CCN(CCCO)C(=O)c1ccc(Cl)s1	160306727	QBNZKTOBUHTAOE-UHFFFAOYSA-N	247.747	2.246	70	20	BEID	
CCNC(=O)N[C@@](C)(CC)c1nccs1	160792329	DYPKURHDTYUYPA-JTQLQIEISA-N	227.333	2.087	70	20	BEID	
CC(C)OCCC(=O)N1[C@@H](C)CC[C@@H]1C	161473323	XLGZDUOHIXPWRS-QWRGUYRKSA-N	213.321	2.201	70	20	BEID	
Cc1ccc(CCC(=O)N(C)[C@@H](C)CO)c(C)c1	160463691	LAJIYFNIGDAPMF-ZDUSSCGKSA-N	249.354	2.075	70	20	BEID	
Cc1cccc(C(=O)Nc2cnn(C)c2)c1F	161457533	NPRNXJQGWULNMV-UHFFFAOYSA-N	233.246	2.120	70	20	BEID	
C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CCCCN1	159768509	FTMRKTMBMLTEND-VXGBXAGGSA-N	240.391	2.460	70	20	BEID	
CCC(=O)N1CC=C(C(F)(F)F)CC1	160325985	VMYGVEZYHUHWIA-UHFFFAOYSA-N	207.195	2.117	70	20	BEID	
CC(C)Oc1ccc(S(=O)(=O)F)cc1F	105417822	DRCZJXLVDYKKSJ-UHFFFAOYSA-N	236.239	2.271	70	20	BEID	
CC(C)CCCOCCS(=O)(=O)Cl	112155343	BCTKWUOBZMWTFH-UHFFFAOYSA-N	228.741	2.008	70	20	BEID	
Cc1ccc(CN(C)C[C@@H]2CCCOC2)nc1	160095318	LWWXSVUHIPQVRA-ZDUSSCGKSA-N	234.343	2.248	70	20	BEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCOC1	161173265	NAMGMDRZNUWUJV-UPJWGTAASA-N	239.359	2.450	70	20	BEID	
CC1(C)C[C@@H]1C(=O)N(C[C@@H]1CCOC1)C1CC1	161234591	PYYUYAKJOHPLQZ-CMPLNLGQSA-N	237.343	2.060	70	20	BEID	
c1nc2c(c(NCCOCC3CC3)n1)CCCC2	217804090	DKFFGBMPJNHTRD-UHFFFAOYSA-N	247.342	2.194	70	20	BEID	
CCCOC(=O)c1cc(F)cnc1Cl	218161212	APPPHTWJQXICRJ-UHFFFAOYSA-N	217.627	2.441	70	20	BEID	
C[C@@H](Nc1ccnc(C(=O)N(C)C)c1)C1CCC1	159989321	VNJWWYQOTXLXKV-SNVBAGLBSA-N	247.342	2.384	70	20	BEID	
CON(C)C(=O)c1cc(C)c(F)c(C)c1	160909524	WCZBQFCTIJLHMR-UHFFFAOYSA-N	211.236	2.076	70	20	BEID	
CC[C@H](CSC)Nc1nc2ccccn2n1	217382344	HMLABLGZWIQDFW-SECBINFHSA-N	236.344	2.283	70	20	BEID	
C[C@H]1C[C@H](C(=O)Oc2ccccc2)CCO1	217691471	MXEUVXJHVWJMPI-WDEREUQCSA-N	220.268	2.407	70	20	BEID	
Cc1cc(C)c(CN2CCC[C@@H]2C(N)=O)cc1C	160304652	DQGNQMMRXKIRTC-CQSZACIVSA-N	246.354	2.062	70	20	BEID	
CCC(CC)CNC(=O)N1CCOC[C@@H]1CC	160593659	MJSJWIOFBFVMHT-LBPRGKRZSA-N	242.363	2.243	70	20	BEID	
CN[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1	160597304	XAOFZDRFZDZWCP-JSGCOSHPSA-N	246.354	2.001	70	20	BEID	
CCCC[C@H](S[C@@H](C)CCO)C(=O)OC	160691877	QTFITKWKLLFRAB-UWVGGRQHSA-N	234.361	2.222	70	20	BEID	
Cc1cccc(OCCS[C@H](C)CO)c1	160771194	UIDIVFMDAJWYGK-LLVKDONJSA-N	226.341	2.488	70	20	BEID	
CCc1ccc(/C=C/C(=O)N[C@@H]2CCO[C@@H]2C)o1	161448167	ZZDINHCFJUIXGK-QTSSUADMSA-N	249.310	2.149	70	20	BEID	
CCC1(CC)[C@@H](N[C@@H](C)COC)C[C@H]1OC	160120754	SBYSBTCPBNZYGM-SDDRHHMPSA-N	229.364	2.205	70	20	BEID	
Cc1ccc(SCc2ccnn2C)nc1	161340010	HSAZXVUMOLLYGC-UHFFFAOYSA-N	219.313	2.416	70	20	BEID	
CCC[C@@H](C)NC(=O)c1ccncc1F	161385070	RKDJLZFVZRYIBT-MRVPVSSYSA-N	210.252	2.139	70	20	BEID	
CCCOCC[C@@H](C)CCS(=O)(=O)Cl	116706690	IUSLJKZUKYEILP-SECBINFHSA-N	242.768	2.398	70	20	BEID	
CCOCCNCc1cc(F)cc(F)c1	160246341	WDICKXHZSXNCSQ-UHFFFAOYSA-N	215.243	2.091	70	20	BEID	
CSCCCNCc1ccncc1C	160594829	KHJFLYPUNZJHNW-UHFFFAOYSA-N	210.346	2.233	70	20	BEID	
O=C(Nc1ccc(Cl)nc1)[C@@H]1CCCCO1	160734084	NAUJAOYNNYLXHB-VIFPVBQESA-N	240.690	2.243	70	20	BEID	
CC[C@@H]([C@@H]1CC1(C)C)S(=O)(=O)Cl	306578355	MGFYGWLAHAHRSJ-BQBZGAKWSA-N	210.726	2.380	70	20	BEID	
CNc1ncccc1C(=O)N[C@H](C)C1CCC1	159404069	HWZURWKRWHWDAW-SECBINFHSA-N	233.315	2.042	70	20	BEID	
C/C(=C/c1ccccc1)CN1CCC[C@H]1C(N)=O	160342527	BMCWZDGDNXPLMY-HCYCVZQXSA-N	244.338	2.040	70	20	BEID	
CC(C)NCCC(=O)N1C[C@H](C)CCC[C@@H]1C	160935166	DJYYUVFOMLTIOJ-OLZOCXBDSA-N	240.391	2.412	70	20	BEID	
CC(C)CCN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C	217915179	ZFIXXZSHKWLXSS-YNEHKIRRSA-N	212.381	2.351	70	20	BEID	
CCCCOCC(=O)N[C@@H]1CCC[C@H]1CC	159750475	XZKYMTQOJDKJCP-VXGBXAGGSA-N	227.348	2.498	70	20	BEID	
Cc1cc(N[C@H](C)c2nc(C3CC3)no2)nn1C	159668708	GTDNKSUVWHNJIG-MRVPVSSYSA-N	247.302	2.162	70	20	BEID	
CC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2C)C1	159814674	YBRIYVHEYDHPHI-GXTWGEPZSA-N	246.354	2.266	70	20	BEID	
CCC[C@H](O)CNC(=O)[C@H](CCC)C(C)C	160023027	ZDRWJPLCTWDONM-NWDGAFQWSA-N	229.364	2.336	70	20	BEID	
Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ncn1	161199417	GOYFKWBMUKXTAN-GXSJLCMTSA-N	233.315	2.094	70	20	BEID	
CCOC(=O)CN(C)[C@@H]1CCC[C@@H](C)C1	218485980	BTNBSYWLUHFFTI-GHMZBOCLSA-N	213.321	2.060	70	20	BEID	
CN(Cc1cccn1C)C(=O)CC(C)(C)C	160593731	YWHOKDDSVBLPQB-UHFFFAOYSA-N	222.332	2.420	70	20	BEID	
O=C(Nc1ccc2c(c1)CCN2)NC1CCC1	160901296	VSEHYPIYYTZAEQ-UHFFFAOYSA-N	231.299	2.329	70	20	BEID	
CCN1CCCC[C@@H]1CN[C@@H](C)C(C)C	161170750	NGSGKWJZYLBGOK-QWHCGFSZSA-N	212.381	2.495	70	20	BEID	
CSCCCCC(=O)N1CCOC(C)(C)C1	159746908	QDNZOVRCKZRSCK-UHFFFAOYSA-N	245.388	2.157	70	20	BEID	
Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)ncn1	160280090	DVFIESKFSDEKMP-NWDGAFQWSA-N	233.315	2.155	70	20	BEID	
CCCCOCCn1cnc(C(C)C)cc1=O	160781297	KZYJBQDBBLIMAU-UHFFFAOYSA-N	238.331	2.183	70	20	BEID	
Cc1cc(F)cc(NC(=O)N[C@@H]2CCOC2)c1	159405218	RSWFHRAPYBBHPX-SNVBAGLBSA-N	238.262	2.045	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ncoc1C	159675738	WFKIMWZOUQOHRS-ZJUUUORDSA-N	222.288	2.292	70	20	BEID	
C[C@H](Nc1ccc(C(=O)N(C)C)cn1)C1CCC1	159986995	AERKIKKNVKFKJV-JTQLQIEISA-N	247.342	2.384	70	20	BEID	
CSCC[C@H](C)Nc1ncc(C)cn1	160428236	JNBCPMFFSQRLKN-VIFPVBQESA-N	211.334	2.339	70	20	BEID	
C[C@@H](CN1CCC2(C1)OCCO2)c1ccccc1	160607137	AXBGVYRWODOFHI-ZDUSSCGKSA-N	247.338	2.239	70	20	BEID	
CC(C)CCOCCS[C@@H](C)CO	160742594	NNMCIYQOWSPTEU-JTQLQIEISA-N	206.351	2.163	70	20	BEID	
CCCCNC(=S)N(C)[C@@H]1CCSC1	160043776	KEVIYMQVRYKNBM-SECBINFHSA-N	232.418	2.098	70	20	BEID	
CCOC(=O)c1coc(N2CC[C@H](CC)C2)n1	160248671	TVCSWHNMXFEKSF-VIFPVBQESA-N	238.287	2.088	70	20	BEID	
C[C@@H]1CCC[C@H](C(=O)N2CCOC(C)(C)C2)C1	160355001	QYXHOUFIPNIESB-NEPJUHHUSA-N	239.359	2.450	70	20	BEID	
CCc1cc(O)nc(CN2C[C@@H](C)C[C@@H](C)C2)n1	160478111	FOYYILZLOSPVDQ-PHIMTYICSA-N	249.358	2.223	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1cccnc1	160712833	INWWXTNPXLZPTJ-ZYHUDNBSSA-N	204.273	2.456	70	20	BEID	
COc1cc(NCCn2cccn2)ccc1F	160265877	TVBBHMOALDEEMT-UHFFFAOYSA-N	235.262	2.143	70	20	BEID	
CC(C)[C@H](N)C(=O)NCCCCC1CCCC1	160900954	JKUXOZZPUGSLCU-ZDUSSCGKSA-N	240.391	2.446	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1cccnc1OC	160997537	LVRMLWOQEYBYBY-FZMZJTMJSA-N	248.326	2.143	70	20	BEID	
C[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)C1CC1	161266219	ITMMGYAIAIRWQI-KOLCDFICSA-N	240.347	2.042	70	20	BEID	
CC(C)C[C@@H]1CCCN(C(=O)C(C)(C)CN)C1	161473237	ZTKRUUXAZKQASI-LBPRGKRZSA-N	240.391	2.256	70	20	BEID	
CCC[C@H](C(=O)NC[C@H](O)CCC)C(C)C	160022909	ZDRWJPLCTWDONM-NEPJUHHUSA-N	229.364	2.336	70	20	BEID	
C[C@@H]1C[C@]1(N)c1ccc(OC(F)F)cc1	161003390	WMEUFUXXKZHCKI-RDDDGLTNSA-N	213.227	2.482	70	20	BEID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)C(C)C	159519224	UHBIWYAMXQQOKR-SECBINFHSA-N	237.347	2.387	70	20	BEID	
O=C(NCC1CC1)c1c(F)cc(F)cc1F	159641203	GZGACUODRUGNJP-UHFFFAOYSA-N	229.201	2.244	70	20	BEID	
C[C@H](NCCO)c1nc(-c2ccccc2)cs1	159714462	FUSPLHMKJRHMRY-JTQLQIEISA-N	248.351	2.453	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc[nH]c1	159841572	HVRFDAKEAPSILA-GXSJLCMTSA-N	206.289	2.323	70	20	BEID	
O=C(CC1CCCC1)NOCc1cccnc1	160829781	SSBVRCDPPPKJHZ-UHFFFAOYSA-N	234.299	2.210	70	20	BEID	
C[C@H]1SCCN(Cc2cnc(N)s2)[C@@H]1C	161286949	WNMWYWUSLQKLDE-HTQZYQBOSA-N	243.401	2.051	70	20	BEID	
Cc1cc(F)ccc1NC(=O)C(F)F	217663812	VRVOHKSOSGVSEY-UHFFFAOYSA-N	203.163	2.338	70	20	BEID	
C[C@@H]1C[C@H]1CNCc1cc(O)cc(F)c1	159614873	LITRFSQJZWOCAO-SCZZXKLOSA-N	209.264	2.277	70	20	BEID	
Cc1ccc(-c2nnc(NC(=O)CC(C)C)[nH]2)o1	160400538	HRCBUWLSEJYQNT-UHFFFAOYSA-N	248.286	2.358	70	20	BEID	
c1csc(COc2ccc3c(c2)OCO3)n1	161112857	MGCSDGMGWFQRFI-UHFFFAOYSA-N	235.264	2.451	70	20	BEID	
C[C@@H](O)CN(C)[C@@H]1CCCc2ccccc21	159538681	CSADSUUKONBMHO-BXUZGUMPSA-N	219.328	2.377	70	20	BEID	
O=S(=O)(Cl)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	251591562	ZJDZMVUOIBKMGH-GRDBIXFFSA-N	234.748	2.380	70	20	BEID	
CCc1cc(S(=O)(=O)Cl)ccc1C	97972591	AHFJLBBHCQGBBW-UHFFFAOYSA-N	218.705	2.485	70	20	BEID	
C[C@@H](CO)SCCCOCC(F)(F)F	160729851	ONBNIVMLSVEKNO-ZETCQYMHSA-N	232.267	2.069	70	20	BEID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCOC	161296430	KSHKMZSJTKOMJW-RYUDHWBXSA-N	227.348	2.450	70	20	BEID	
CC(C)(C)C[C@@H](CO)Nc1cccc(F)n1	161429059	NFUKNAGVBYRQIB-VIFPVBQESA-N	226.295	2.430	70	20	BEID	
CC(C)c1nnc(NC(=O)C2(C)CC2)s1	160045242	ZWUWQLZBXXKOMY-UHFFFAOYSA-N	225.317	2.400	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)NCC(F)(F)F	160898140	DLUTYDQRRISANV-XPUUQOCRSA-N	209.211	2.101	70	20	BEID	
C[C@@H]1C[C@@H]1CNCc1cc(O)cc(F)c1	159614602	LITRFSQJZWOCAO-PSASIEDQSA-N	209.264	2.277	70	20	BEID	
O=C(NCC1(C2CC2)CC1)[C@@H]1CCCS1	159640151	SZYWOSOUWUEYSD-JTQLQIEISA-N	225.357	2.188	70	20	BEID	
Cc1cnc(NC[C@@H]2CSCCS2)nc1	160435127	UPTIXFPFLLLWLB-SECBINFHSA-N	241.385	2.046	70	20	BEID	
CCCC1(CNC(=O)CC[C@@H]2CCOC2)CC1	160721475	OHLHWJKAJUYGLS-GFCCVEGCSA-N	239.359	2.500	70	20	BEID	
CCC[C@@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	161337088	LMTYCKCBLLMSIR-NXEZZACHSA-N	237.347	2.202	70	20	BEID	
COC[C@@H]1CCCN1CCCCCCCN	217170075	CEUTVLFJNYZICO-ZDUSSCGKSA-N	228.380	2.006	70	20	BEID	
CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159719723	KWMQODOZKGMKHI-HZSPNIEDSA-N	246.354	2.176	70	20	BEID	
CC[C@@H](C)[C@@H](C)NCc1ccnn1CC	160131497	YZWQBVASDLGLJK-GHMZBOCLSA-N	209.337	2.427	70	20	BEID	
CC1(C)CCC[C@@H](NC(=O)N[C@H]2CCOC2)C1	160723289	ZBXSLZXPUUMSEG-MNOVXSKESA-N	240.347	2.043	70	20	BEID	
Cc1csc(SCc2ccnn2C)n1	161249661	CYBTUFHNSFZMSY-UHFFFAOYSA-N	225.342	2.477	70	20	BEID	
CCCn1ccc2ccc(NC(=O)[C@H](C)N)cc21	161281128	LWKURIDTLPLSMN-JTQLQIEISA-N	245.326	2.337	70	20	BEID	
CNCCNCc1cccc(Cl)c1Cl	161284009	ZDKVAGASQDEHET-UHFFFAOYSA-N	233.142	2.302	70	20	BEID	
C[C@H]1CCC[C@@](F)(CS(=O)(=O)Cl)C1	1537958969	QLLPZFMVTRBZDR-YUMQZZPRSA-N	228.716	2.473	70	20	BEID	
CCN(C(=O)C[C@@H](C)SC)C(C)C	160575032	NJZSTYHUWOGZFL-SECBINFHSA-N	203.351	2.385	70	20	BEID	
CC(C)CCOCCS[C@H](C)CO	160742731	NNMCIYQOWSPTEU-SNVBAGLBSA-N	206.351	2.163	70	20	BEID	
COC(=O)C(C)(C)NCCC1CCCC1	159529371	BWXRHMQURLOBTG-UHFFFAOYSA-N	213.321	2.108	70	20	BEID	
COc1cccc2c1CC[C@H]2NC(=O)NC1CC1	160281922	LYDXHPIBZPLRSC-GFCCVEGCSA-N	246.310	2.144	70	20	BEID	
Cc1cc(C[C@@H](C)NC(=O)CC(C)(C)C)n[nH]1	161068438	NRGOASBSQAPMRG-SECBINFHSA-N	237.347	2.202	70	20	BEID	
CC[C@H](c1ccccc1)N(C)C[C@@H](C)O	159367010	RRHSSXHJWHVFQX-DGCLKSJQSA-N	207.317	2.450	70	20	BEID	
CCOCCN(C)C(=O)C(C)(CC)CC	159423004	FXZRCYBLMOOUNR-UHFFFAOYSA-N	215.337	2.308	70	20	BEID	
CS[C@@H](C)CC(=O)N(C)C[C@H]1CCCCO1	160782770	CLEOUUKHRMVRAX-WDEREUQCSA-N	245.388	2.156	70	20	BEID	
Cc1cc(C[C@@H](C)NC(=O)[C@H]2CC=CCC2)n[nH]1	161362998	KIVVUTGSYRPBDE-PWSUYJOCSA-N	247.342	2.122	70	20	BEID	
Cc1ccc(F)cc1NC(=O)C(F)F	217627653	GMFQOYARPIQGQV-UHFFFAOYSA-N	203.163	2.338	70	20	BEID	
CCCCS[C@H](C)C(=O)NC[C@@H](C)CCO	161015875	JWMGKWXSFSRXQO-WDEREUQCSA-N	247.404	2.043	70	20	BEID	
CCO[C@H](C)c1nccn1C[C@@H]1CCOC1	161467744	BSTYDNJFWZYYLH-MNOVXSKESA-N	224.304	2.017	70	20	BEID	
O=S(=O)(Cl)c1c[nH]nc1-c1ccccc1	104719222	ZGFHSLCRQKVQMO-UHFFFAOYSA-N	242.687	2.004	70	20	BEID	
Cc1n[nH]cc1CN(C)Cc1cccc(F)c1	160473166	UIIQJDQVHLVWEW-UHFFFAOYSA-N	233.290	2.489	70	20	BEID	
COCC(=O)N[C@@H](C)C1CCCCCC1	160670395	ZAAQXYWEXPLKPD-JTQLQIEISA-N	213.321	2.108	70	20	BEID	
CSCCCn1cnc(C(C)C)cc1=O	160775318	IDOXMVFEYNFQKK-UHFFFAOYSA-N	226.345	2.120	70	20	BEID	
CCO[C@@H]1CCCN(C(=O)C[C@H](C)SC)C1	161098014	LKGIXIHWXDMVPT-WDEREUQCSA-N	245.388	2.156	70	20	BEID	
COC[C@H](C)NC[C@@H](C1CCCCC1)N(C)C	160420667	XGGYMGGOFZDACE-JSGCOSHPSA-N	242.407	2.121	70	20	BEID	
Cn1cnnc1CN1CCC[C@@H]1c1ccccc1	160738439	FUGGBQBXWFHWRF-CYBMUJFWSA-N	242.326	2.152	70	20	BEID	
CC(C)c1ccc(C(=O)NCC2CC2)cn1	161324207	HEAGUUMHJUBNJF-UHFFFAOYSA-N	218.300	2.345	70	20	BEID	
Cc1cc(C)c2ncc(C(=O)N(C)C)c(O)c2c1	161459125	DUOTVXUIBJQWPM-UHFFFAOYSA-N	244.294	2.259	70	20	BEID	
C[C@H]1CCCC[C@H]1CS(=O)(=O)Cl	215095301	WUFVNNCYVWPDNS-YUMQZZPRSA-N	210.726	2.381	70	20	BEID	
Cc1ccc(F)cc1CS(=O)(=O)Cl	60288382	SWENMXHQRHDZCS-UHFFFAOYSA-N	222.668	2.203	70	20	BEID	
CN(C(=O)[C@H]1CC1(C)C)c1ccc2c(c1)OCO2	160139623	AOHIKVDIQLSYOH-SNVBAGLBSA-N	247.294	2.424	70	20	BEID	
C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cl	88251270	AYTCJTUADJQNIK-LURJTMIESA-N	249.675	2.224	70	20	BEID	
CS[C@H](C)CNC(=O)c1cc(C)ccc1O	159532726	MMGSOOSIDCADTN-SECBINFHSA-N	239.340	2.182	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccnc(C)n1	159849738	SMYFFTMVCIRWJG-GHMZBOCLSA-N	233.315	2.094	70	20	BEID	
C[C@@H]1CCN(CN2CC(C)(C)OC2=O)C[C@@H]1C	159920451	MPRGXZNCOPYKDU-MNOVXSKESA-N	240.347	2.153	70	20	BEID	
CC(C)(O)CN[C@H](Cc1ccccc1)C1CC1	160591849	XRHYVNUVMODRKY-CQSZACIVSA-N	233.355	2.368	70	20	BEID	
CCCC[C@H](CC)CC(=O)N1CCNCC1	159379109	QYFHPSYUULJEDZ-LBPRGKRZSA-N	226.364	2.025	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc[nH]c1	159841430	HVRFDAKEAPSILA-MWLCHTKSSA-N	206.289	2.323	70	20	BEID	
CCCN(CCCOCC)CC(F)F	159916997	VESDBEJKWJYMPK-UHFFFAOYSA-N	209.280	2.390	70	20	BEID	
CCC(=O)N[C@H](CC)c1c(C)noc1C	160382426	WIFMXMRPKIQRFR-SECBINFHSA-N	210.277	2.269	70	20	BEID	
Cc1cc(C(=O)N2[C@@H](C)COC[C@H]2C)oc1C	160638547	HKVYYVYTTCPUBC-AOOOYVTPSA-N	237.299	2.146	70	20	BEID	
CC[C@@H](N)CNC1C2CC3CC(C2)CC1C3	216841056	SWAOJIDSIKJKIQ-RVARXAPGSA-N	222.376	2.138	70	20	BEID	
CC[C@@H](O)CN1CCC[C@H]1c1cccc(C)n1	159703932	HMDFLBMVRGBPQU-OCCSQVGLSA-N	234.343	2.298	70	20	BEID	
CNCCCOc1cccc(Cl)c1F	159761318	PNGWTSXZRLSKFC-UHFFFAOYSA-N	217.671	2.467	70	20	BEID	
C/C=C/C=C/C(=O)N(C)Cc1cccn1C	160458045	ZUIYAEHIROGKDO-HSKKLARCSA-N	218.300	2.116	70	20	BEID	
CC[C@@]1(C)CCCN(C(=O)[C@H](N)C(C)C)C1	160778072	YRNNIEXZGDUWFK-YPMHNXCESA-N	226.364	2.008	70	20	BEID	
CC[C@H](C)[C@@H](C)NC(=O)/C=C/c1cnn(C)c1C	161058265	NWXPYRNKVBXWKP-IAYMVZNDSA-N	249.358	2.293	70	20	BEID	
C[C@H](CCO)CNC(=O)C[C@@H](C)c1ccccc1	161079676	ZABKGMVUFLCGKP-CHWSQXEVSA-N	249.354	2.315	70	20	BEID	
CC(C)C[C@H]1CCCCCN1C(=O)[C@H](C)N	161297145	OCAQFAGJNMPXTD-NWDGAFQWSA-N	226.364	2.151	70	20	BEID	
CCC[C@H](C(=O)NC[C@H](C)CCO)C(C)C	160055339	MCYAJWYGXVYXIP-NEPJUHHUSA-N	229.364	2.193	70	20	BEID	
Cc1ccc(-c2nnc(NC(=O)C3CCC3)[nH]2)o1	160186646	MSKAXHZJNDWNGS-UHFFFAOYSA-N	246.270	2.112	70	20	BEID	
Cc1cccc(SCc2nncn2C)c1	161039087	LAHJXHAITCTGAM-UHFFFAOYSA-N	219.313	2.416	70	20	BEID	
Cc1cccc(C(=O)Nc2ncccn2)c1F	161425976	CTTAEHVFMAUDQD-UHFFFAOYSA-N	231.230	2.176	70	20	BEID	
CCCNC(=O)c1ccc(C(C)C)nc1	159590964	DAYQLCQADPDBJJ-UHFFFAOYSA-N	206.289	2.345	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)CCC1CCC1	160032363	PRFNRGGWGFXEBU-JTQLQIEISA-N	241.331	2.025	70	20	BEID	
CCc1nsc(N[C@@H]2CCOC(C)(C)C2)n1	160676879	VLKKSAUEPSXFPZ-MRVPVSSYSA-N	241.360	2.470	70	20	BEID	
CC[C@@H](Cc1ccccc1)N(CC)C(=O)CNC	161435425	SEXKJQIIHZATHW-AWEZNQCLSA-N	248.370	2.076	70	20	BEID	
CCOCCCN(C)Cc1cscn1	159645340	JASOMJBUHRMZPG-UHFFFAOYSA-N	214.334	2.002	70	20	BEID	
CC[C@@H](C)OCC(=O)NCC1(C2CC2)CC1	159784487	MZCMRCYNEFXWAB-SNVBAGLBSA-N	225.332	2.108	70	20	BEID	
Cc1cc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c[nH]c1=O	159835793	XNCSZMSRDBYVPZ-MWLCHTKSSA-N	248.326	2.448	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)CCCn1ccnc1	159845963	PJSZLUDCZVHAMS-CHWSQXEVSA-N	249.358	2.358	70	20	BEID	
CCC(CC)CNCc1cnn(C)c1C	160143795	CRRNMBFLHVFTKX-UHFFFAOYSA-N	209.337	2.254	70	20	BEID	
CCCCO[C@@H](C)C(=O)NC1CC=CC1	160775396	BQLYUBXITWNGLB-JTQLQIEISA-N	211.305	2.026	70	20	BEID	
C[C@@H](COc1ccccc1)CS(=O)(=O)Cl	108304623	VQTSYFHYONTOMT-VIFPVBQESA-N	248.731	2.270	70	20	BEID	
CC[C@H](C)OCC(=O)Nc1ccc(Cl)cn1	160072225	POEPMCPBZFCMPM-QMMMGPOBSA-N	242.706	2.489	70	20	BEID	
Cc1cnc(N[C@H]2CCCSC2)nc1	160434950	GPXKEMHRPULXLF-VIFPVBQESA-N	209.318	2.093	70	20	BEID	
C[C@H]1CC(NC(=O)NCCC2CC2)C[C@H](C)O1	159535507	LNDZFHBOJMFPEC-UWVGGRQHSA-N	240.347	2.042	70	20	BEID	
CN(Cc1cccn1C)C(=O)Cc1ccsc1	160352749	KNRBCAPYRZELOM-UHFFFAOYSA-N	248.351	2.288	70	20	BEID	
CCC(CC)CNC(=O)NC[C@H](O)[C@@H](C)CC	160585249	FAVYQLGMXWMISW-JQWIXIFHSA-N	244.379	2.129	70	20	BEID	
COCC(C)(C)C(=O)N[C@H](C)CC(C)C	161355060	QCOPRKYUSZPGNJ-SNVBAGLBSA-N	215.337	2.210	70	20	BEID	
C[C@@]1(Nc2nccc(C(F)(F)F)n2)CCOC1	159999553	JGHPFTNUJBQBKE-SECBINFHSA-N	247.220	2.086	70	20	BEID	
CCN(Cc1nncn1C)c1ccccc1C	160821217	JMEQUXWDUQEHGR-UHFFFAOYSA-N	230.315	2.150	70	20	BEID	
CCc1ncnc(N(C)[C@H]2CCSC2)c1F	160882586	YOTRJXBHLGRDBY-QMMMGPOBSA-N	241.335	2.120	70	20	BEID	
Cn1ccnc1CN1CCc2sccc2C1	160739032	GNLOGXRQKFCRAB-UHFFFAOYSA-N	233.340	2.040	70	20	BEID	
CCCCSCCCCS(C)(=O)=O	160924779	RZOAJZAOWARPEE-UHFFFAOYSA-N	224.391	2.345	70	20	BEID	
CCC[C@H](C(=O)NCCCOC)C(C)C	161369038	CGCYDCOTKVYPBH-NSHDSACASA-N	215.337	2.211	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccnc(C)n1	159849595	SMYFFTMVCIRWJG-QWRGUYRKSA-N	233.315	2.094	70	20	BEID	
COc1cccc2c1CC[C@@H]2NC(=O)C(C)C	159943681	AKXHCDKRTGGYQX-LBPRGKRZSA-N	233.311	2.455	70	20	BEID	
Cc1nnc(N[C@H]2CCO[C@H](C3CC3)C2)s1	160283107	ZPMHFSREXSGEIT-UWVGGRQHSA-N	239.344	2.216	70	20	BEID	
Cc1cnc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1C	160392769	YVJWOPVELRZOMD-CHWSQXEVSA-N	247.342	2.463	70	20	BEID	
CO[C@H](C)C(=O)Nc1cccc(OCCF)c1	160516157	ITSBXKUIBLNSJE-SECBINFHSA-N	241.262	2.008	70	20	BEID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)COC	160770666	XCJNNOCOPXOZHJ-WDEREUQCSA-N	213.321	2.060	70	20	BEID	
CC(C)C(=O)N1CCc2c(F)cccc2C1	160962208	GENYVWQOLQLWDX-UHFFFAOYSA-N	221.275	2.366	70	20	BEID	
COc1cc(C)nc(N[C@@H](C)c2cccnc2)n1	161090393	CQOBWHBPAAHACK-JTQLQIEISA-N	244.298	2.362	70	20	BEID	
Cn1cccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159641225	HSKFYXDNTJFDAP-MJBXVCDLSA-N	246.354	2.072	70	20	BEID	
Cc1nc(N2CCC[C@](C)(O)C2)sc1C	160848061	GFKYQBONGDLYBY-NSHDSACASA-N	226.345	2.111	70	20	BEID	
Cn1nccc1CSc1ccccn1	161208355	LBPMAQSSGCZPJL-UHFFFAOYSA-N	205.286	2.107	70	20	BEID	
O=[S@](Cc1nccs1)c1ccc(O)cc1	160657235	FRNOOHJULCZMDU-HNNXBMFYSA-N	239.321	2.157	70	20	BEID	
O=S(=O)(Cl)Cc1cc(F)c(F)cc1F	108706277	AWJIMFLRINUXRH-UHFFFAOYSA-N	244.621	2.173	70	20	BEID	
Cc1nccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	160053860	WFPODJAIOWQGJC-RTXFEEFZSA-N	245.326	2.155	70	20	BEID	
O=C(Nc1cccnc1Cl)[C@@H]1CCCCO1	160567201	LVCRISYGVGQVON-VIFPVBQESA-N	240.690	2.243	70	20	BEID	
Cc1ccc(CCNC(=O)CCNC(C)C)cc1	160804420	JAKXJVJKDKSDFF-UHFFFAOYSA-N	248.370	2.042	70	20	BEID	
O=S(=O)(Cl)CC(F)(F)c1ccccc1	157450661	MHXQGSSFWHWMAP-UHFFFAOYSA-N	240.658	2.347	70	20	BEID	
COCC(=O)Nc1cc(F)ccc1OC(F)F	159449599	RZNQGIYFCAEUEJ-UHFFFAOYSA-N	249.188	2.012	70	20	BEID	
CCCC1(CNC(=O)CCOC(C)C)CC1	160699175	PTRIVVAXSRIXEI-UHFFFAOYSA-N	227.348	2.498	70	20	BEID	
CCS(=O)(=O)c1ncc(C(C)(C)C)s1	160330053	FLYYWVNVFOSPBZ-UHFFFAOYSA-N	233.358	2.234	70	20	BEID	
CCOCCC1(CNC(=O)C2(C)CC2)CCC1	160974593	VMAWURJIBRJPDH-UHFFFAOYSA-N	239.359	2.500	70	20	BEID	
CC(C)N1CCC([C@@H](O)C(F)(F)F)CC1	161226727	XBKJDLSDTUUHPJ-SECBINFHSA-N	225.254	2.030	70	20	BEID	
Cc1cc(C[C@H](C)NC(=O)[C@H]2CC=CCC2)n[nH]1	161363114	KIVVUTGSYRPBDE-JQWIXIFHSA-N	247.342	2.122	70	20	BEID	
COc1cc(NCc2cc(C)nn2C)ccc1F	160284293	AFUAOBJQQFKVNX-UHFFFAOYSA-N	249.289	2.488	70	20	BEID	
C[C@@H](CO)N(C)C(=O)C[C@@H](C)c1ccccc1	160394344	NKUBXNKGFBPSRP-NEPJUHHUSA-N	235.327	2.019	70	20	BEID	
COC(=O)C1(c2ccc(C)c(OC)c2)CC1	160443528	HAGWDIIFKYACMT-UHFFFAOYSA-N	220.268	2.208	70	20	BEID	
COCC[C@@H](C)N[C@H](C)c1cscn1	161181572	BBQLAXCODXENAE-RKDXNWHRSA-N	214.334	2.219	70	20	BEID	
CC[C@@H]1CCCC[C@H]1NCCCNC(C)=O	161409873	FQEMLBQJJYINHU-CHWSQXEVSA-N	226.364	2.071	70	20	BEID	
CCc1ncnc(N[C@@H]2CCSC2)c1F	218046578	RPVSYBPNSUZMHY-SSDOTTSWSA-N	227.308	2.096	70	20	BEID	
CC1(NS(=O)(=O)c2ccc(F)cc2)CCC1	159989934	MGYWIJBRRKMVNF-UHFFFAOYSA-N	243.303	2.047	70	20	BEID	
C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CCCCO1	161135080	CUZQJEIAPILILG-CMPLNLGQSA-N	237.299	2.368	70	20	BEID	
Cc1ncoc1CNCc1cccs1	159423426	CJOLIZLQDRGBFN-UHFFFAOYSA-N	208.286	2.334	70	20	BEID	
C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccoc1	160764441	PTJUKFWMJQEYDX-GXFFZTMASA-N	244.294	2.157	70	20	BEID	
CCCN(CCC)C(=O)[C@H]1CCCCO1	160769712	NXJLQKLLJVVKMK-LLVKDONJSA-N	213.321	2.204	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)C[C@@H]1CC[C@H](C)C1	161154768	XCWXOCQRWOXING-XQQFMLRXSA-N	241.375	2.336	70	20	BEID	
CCc1ncnc(NCc2cc(C)on2)c1F	217989451	MTIMZGILIWYUSS-UHFFFAOYSA-N	236.250	2.087	70	20	BEID	
COc1ccc2[nH]cc(S(=O)(=O)Cl)c2c1	104546532	DTCNOVOJCDUXDP-UHFFFAOYSA-N	245.687	2.104	70	20	BEID	
CC(C)(N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159713815	ZFGDNDLAJQBGGF-CHWSQXEVSA-N	246.354	2.176	70	20	BEID	
C[C@@H](CO)N(C)C(=O)CC(C)(C)c1ccccc1	160553636	FVWPMIJHOZYKKO-LBPRGKRZSA-N	249.354	2.194	70	20	BEID	
C[C@@H]1CCCC[C@H]1CS(=O)(=O)Cl	215095258	WUFVNNCYVWPDNS-SFYZADRCSA-N	210.726	2.381	70	20	BEID	
Cc1ccc(NC(=O)NC2CCCC2)nc1	217584501	MLBLZJQDGZGAQF-UHFFFAOYSA-N	219.288	2.454	70	20	BEID	
CCc1ncnc(NC[C@@]2(C)CCCO2)c1F	218064839	KKBAQNVUVGFPDJ-GFCCVEGCSA-N	239.294	2.159	70	20	BEID	
O=S(=O)(Cl)Cc1cnc2ccccc2c1	300716765	FRKIAAASQZWYML-UHFFFAOYSA-N	241.699	2.303	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCOC1	159545974	SZENNIUJPRHNGM-QJPTWQEYSA-N	225.332	2.108	70	20	BEID	
Cc1csc(N2CCSCC2)n1	160644650	WZXYCYRBZMKILQ-UHFFFAOYSA-N	200.332	2.005	70	20	BEID	
CCCC1(CNC(=O)CN(CC)CC)CC1	160734927	DWJWJAUPKWXZQM-UHFFFAOYSA-N	226.364	2.025	70	20	BEID	
CCOC(=O)CCN(C)[C@@H]1CCC[C@@H](C)C1	217934019	HFXBGDQQGLAQGM-VXGBXAGGSA-N	227.348	2.450	70	20	BEID	
O=S(=O)(Cl)c1c(O)ccc(F)c1Cl	253388053	AVMUKBOMRLNLNT-UHFFFAOYSA-N	245.058	2.112	70	20	BEID	
O=S(=O)(Cl)[C@H]1CCCc2cccnc21	118897716	VLHJDXVNWFCBKM-QMMMGPOBSA-N	231.704	2.028	70	20	BEID	
CC(C)c1ccc(C(=O)Nc2ccn(C)n2)cn1	160236245	ANYPTQHLXZSQSO-UHFFFAOYSA-N	244.298	2.191	70	20	BEID	
CO[C@H](C)c1nc(-c2ccc(O)cc2)no1	160615498	VKVFQCFVPNDJMB-SSDOTTSWSA-N	220.228	2.150	70	20	BEID	
CCCS(=O)(=O)N1CC[C@@H](C)C[C@H](C)C1	159733481	PXLQPTRTEXMSLH-MNOVXSKESA-N	233.377	2.094	70	20	BEID	
O=C(N[C@@H]1CCCc2sccc21)c1cc[nH]n1	159900364	RCDVITUUZHMTNW-SECBINFHSA-N	247.323	2.279	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1cccn1C	160917901	BQPDGGLUPVGXNB-JSGCOSHPSA-N	234.343	2.420	70	20	BEID	
C[C@@H]1CCN(CC2(O)CCCC2)C[C@@H]1C	160979448	QCLJQZGHBHOKSH-NEPJUHHUSA-N	211.349	2.269	70	20	BEID	
Cc1cccc([C@H](C)C(=O)Nc2cn[nH]c2)c1	159773995	HAZHKEBRMSQQKE-JTQLQIEISA-N	229.283	2.460	70	20	BEID	
CCC1(CC)[C@@H](N[C@@H](C)COC)C[C@@H]1OC	160120519	SBYSBTCPBNZYGM-SRVKXCTJSA-N	229.364	2.205	70	20	BEID	
CC[C@H](C)C(=O)N(C)c1ccc2c(c1)OCO2	160145230	PEZNCXPTUWJUEY-VIFPVBQESA-N	235.283	2.424	70	20	BEID	
CCCc1cc(N(C)[C@@H](C)CC)n2ncnc2n1	160440240	OVVQMBRTXYMEFN-JTQLQIEISA-N	247.346	2.312	70	20	BEID	
COC(=O)c1ccc([C@H](C)S[C@@H](C)CO)o1	160724949	NENCVPNVWXAIHD-YUMQZZPRSA-N	244.312	2.241	70	20	BEID	
CN(Cc1cccn1C)C(=O)C[C@@H]1C=CCC1	160946054	AKHSLCPWVQMNMO-GFCCVEGCSA-N	232.327	2.340	70	20	BEID	
CCc1ccc([C@H](C)NCC(=O)NC(C)C)o1	161005692	IYTZUBIUDWEKBD-JTQLQIEISA-N	238.331	2.017	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)CCOC(C)C	159601922	YUANXJSFELECOF-NWDGAFQWSA-N	227.348	2.496	70	20	BEID	
O=C(CC1CC1)N[C@H]1CCOC2(CCCC2)C1	159948759	UFUBPZXVDRVCEY-LBPRGKRZSA-N	237.343	2.395	70	20	BEID	
O=C(Nc1cccnc1Cl)[C@H]1CCCCO1	160567344	LVCRISYGVGQVON-SECBINFHSA-N	240.690	2.243	70	20	BEID	
CC[C@@H](CO[C@H](C)CC)CS(=O)(=O)Cl	114433435	SGFYGWFJSJYBMR-BDAKNGLRSA-N	242.768	2.396	70	20	BEID	
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCCO1	159563608	ONDUQODRRZKBRU-NEPJUHHUSA-N	227.348	2.496	70	20	BEID	
CCc1ncc(NC(=O)N2CCC[C@H]2C)cn1	161147384	PXWIQWPDWYEYNE-SECBINFHSA-N	234.303	2.055	70	20	BEID	
Cc1cc(C[C@@H](C)NC(=O)C[C@@H]2C=CCC2)n[nH]1	161234290	CXPSGYBGSLYZKJ-ZYHUDNBSSA-N	247.342	2.122	70	20	BEID	
CCCNCCNCc1cccc(C)c1	161363933	RUUSDXIAJTVLCX-UHFFFAOYSA-N	206.333	2.084	70	20	BEID	
COCCCN(C)C(=O)c1cccc(C)c1F	161483190	MDTZUGVLHYBADJ-UHFFFAOYSA-N	239.290	2.243	70	20	BEID	
C[C@H](NCc1cc(O)cc(F)c1)C1CC1	159590773	IJZKOWRJAJQOGG-QMMMGPOBSA-N	209.264	2.419	70	20	BEID	
C[C@@H]1CCC[C@@H](C(=O)N2CCSCC2)C1	160817875	HQWUDCNFMXHYIK-GHMZBOCLSA-N	227.373	2.388	70	20	BEID	
CCC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1	160892721	BFBPXSJJVGGNAM-DYEKYZERSA-N	248.370	2.422	70	20	BEID	
CC[C@@H](SC)c1nc(COC)no1	161317940	SBGGWLNOBZBPFQ-ZCFIWIBFSA-N	202.279	2.030	70	20	BEID	
C[C@H](O)CN(C)[C@@H](C)c1ccc(F)cc1	159365483	JOCOCKDZRYQLJY-UWVGGRQHSA-N	211.280	2.199	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)CCCCOC	159551801	INBRLGFTLZFZNP-NWDGAFQWSA-N	227.348	2.498	70	20	BEID	
CSC[C@@H](C)NC(=O)c1cccc2[nH]cnc12	159612483	WGGDIJATHVXVSY-MRVPVSSYSA-N	249.339	2.044	70	20	BEID	
C[C@H]1C[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160509886	XTLLWXHTTAQXEQ-WCBMZHEXSA-N	233.267	2.034	70	20	BEID	
CN(Cc1ccccc1F)C(=O)C(F)F	217597471	JMJJTORBZJYFRN-UHFFFAOYSA-N	217.190	2.049	70	20	BEID	
CCCN(CC)CCN[C@@H]1CS[C@@H](C)C1	217645642	OAFQQEZFCSIKFT-RYUDHWBXSA-N	230.421	2.202	70	20	BEID	
CN(C(=O)c1ccc[nH]1)c1ccc2c(c1)OCO2	160216385	MMFTUQXSZLBPRM-UHFFFAOYSA-N	244.250	2.020	70	20	BEID	
CCCC[C@@H](C(=O)OC)N(C)CCCC	160796590	GGPLKGGSPSWMSW-NSHDSACASA-N	215.337	2.450	70	20	BEID	
CON(C)C(=O)[C@H](C)c1c(F)cccc1F	160910077	DMMFAHAWWWZTND-SSDOTTSWSA-N	229.226	2.088	70	20	BEID	
Cc1ccsc1C(=O)N[C@H]1CCC[C@@H](N)C1	160965155	UHEYAGJJMAWSBZ-ZJUUUORDSA-N	238.356	2.056	70	20	BEID	
COc1ccccc1SCc1nnc(C)n1C	161038584	XTFFHJQLOSXUDU-UHFFFAOYSA-N	249.339	2.424	70	20	BEID	
CS[C@@H](C)CNC(=O)c1cc(C)ccc1O	159532862	MMGSOOSIDCADTN-VIFPVBQESA-N	239.340	2.182	70	20	BEID	
CCCC(=O)NCc1nc2cccc(C)c2n1C	159808654	LQUMGHJFPYBRFL-UHFFFAOYSA-N	245.326	2.298	70	20	BEID	
NCC[C@H]1CCN(CC2CCCCC2)C1	160047885	VKFUCEXOWSJTMK-ZDUSSCGKSA-N	210.365	2.237	70	20	BEID	
COCCC(=O)N[C@@H]1CCCc2sccc21	160188866	GXQLXZAHGGSYKO-SNVBAGLBSA-N	239.340	2.278	70	20	BEID	
Cc1ncsc1CCS[C@@H](C)CO	160743742	NRAXJBKOODWOAR-ZETCQYMHSA-N	217.359	2.108	70	20	BEID	
CO[C@@H]1CCC[C@@H](C(=O)OC(C)C)C1	216938210	PJRSEMMNZMZDHB-NXEZZACHSA-N	200.278	2.143	70	20	BEID	
CC(C)CCCNC(=O)N1CCO[C@H](C)[C@@H]1C	159615302	ABZCMOWMLLNUHA-NWDGAFQWSA-N	242.363	2.241	70	20	BEID	
CSC[C@H](CCO)N[C@H](C)C1CCCC1	160380126	BAUFFKRCFNWUDY-PWSUYJOCSA-N	231.405	2.269	70	20	BEID	
CCc1cc(O)nc(CN2CCC[C@H](CC)C2)n1	160819090	FSHVVCJXNSRFMU-NSHDSACASA-N	249.358	2.367	70	20	BEID	
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	160893525	FVMNZLSPRBJULV-RYUDHWBXSA-N	248.326	2.311	70	20	BEID	
Cc1ccc(SCc2nnc(C)n2C)nc1	161027255	HFMOLRKLCPHOOC-UHFFFAOYSA-N	234.328	2.119	70	20	BEID	
CC(C)NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	161048014	OJSQDRWPXSEJGU-HZSPNIEDSA-N	244.338	2.422	70	20	BEID	
C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CCCCO1	161134964	CUZQJEIAPILILG-PWSUYJOCSA-N	237.299	2.368	70	20	BEID	
CCCn1c(C)nnc1CN1CC[C@H](C)[C@@H]1C	160605504	ARGPDIJNTXYZQJ-QWRGUYRKSA-N	236.363	2.227	70	20	BEID	
COC[C@@H](C)Nc1ncccc1OC(C)C	159460615	ADLVYTSXXAZRNF-SNVBAGLBSA-N	224.304	2.316	70	20	BEID	
OCCN[C@@H]1CCSc2c(Cl)cccc21	159714901	STQCRLYUFDPXQB-SNVBAGLBSA-N	243.759	2.459	70	20	BEID	
CCCn1c(C)nnc1CN1CCC(C)(C)C1	159839832	GEUKBQSGIMWSGE-UHFFFAOYSA-N	236.363	2.228	70	20	BEID	
C[C@@H](CCO)Nc1nc(C(F)(F)F)cs1	160656576	KMZHDFWNPYRIIH-YFKPBYRVSA-N	240.250	2.345	70	20	BEID	
CCCn1c(C)nnc1CN1CCC2(CCC2)C1	161224996	WRSIXHCGQPJODP-UHFFFAOYSA-N	248.374	2.373	70	20	BEID	
C[C@@]1(C(=O)Nc2ccsc2)CCCCN1	159582050	NFZXZRAFUFJNNQ-NSHDSACASA-N	224.329	2.219	70	20	BEID	
CCOCCN[C@@H](C)c1ncc(C)s1	159770530	JMZMACADAPCARP-VIFPVBQESA-N	214.334	2.139	70	20	BEID	
C[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)C1CC1	160536660	MQUKRCZEIJISQP-SECBINFHSA-N	247.294	2.424	70	20	BEID	
CCc1cccc(CS(=O)(=O)Cl)c1	196148265	WXXYTEVCBNDTLE-UHFFFAOYSA-N	218.705	2.318	70	20	BEID	
C[C@H](CO)SCc1cccc(Cl)n1	160787554	IIGWXVRSHACVKQ-SSDOTTSWSA-N	217.721	2.349	70	20	BEID	
CC(C)c1ccc(-c2nnnn2C)cc1	218149993	PXEANJXPRCRUSG-UHFFFAOYSA-N	202.261	2.001	70	20	BEID	
C[C@@H](CCO)CNC(=O)C[C@H](C)c1ccccc1	161079790	ZABKGMVUFLCGKP-STQMWFEESA-N	249.354	2.315	70	20	BEID	
COC(C)(C)CN[C@@H](C)c1cscn1	161226444	AXFFOUHWDSWLCG-QMMMGPOBSA-N	214.334	2.219	70	20	BEID	
CS[C@@H](C)CNC(=O)c1ccc(C)cc1O	159529288	CANAJIAFBZJSTP-VIFPVBQESA-N	239.340	2.182	70	20	BEID	
CC1=CCN(C(=O)NC2CCCC2)CC1	160048898	HSIKZAMPYRTJQE-UHFFFAOYSA-N	208.305	2.291	70	20	BEID	
C[C@H](NCC(C)(C)N(C)C)c1cscn1	161135586	RWBXHIWQIQUUPA-VIFPVBQESA-N	227.377	2.134	70	20	BEID	
CC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159722803	KWMQODOZKGMKHI-MELADBBJSA-N	246.354	2.176	70	20	BEID	
CC1=CCN(C(=O)c2ccccc2O)CC1	159967459	HWGPMLONVQTDEK-UHFFFAOYSA-N	217.268	2.184	70	20	BEID	
C[C@]1(Nc2ncnc3sccc23)CCOC1	160081240	GFJBLXVILFTNBL-NSHDSACASA-N	235.312	2.282	70	20	BEID	
COc1cccnc1NCc1cncs1	160693146	YOGRLWVCSVTCBT-UHFFFAOYSA-N	221.285	2.159	70	20	BEID	
CCN(C(=O)[C@H]1CCCCO1)C1CCCC1	161211538	NBCASZPEOMVVPL-GFCCVEGCSA-N	225.332	2.347	70	20	BEID	
CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CCCNC1	160426389	IGGRLCHMJQAFCD-OLZOCXBDSA-N	238.375	2.023	70	20	BEID	
CCCC1(CNC(=O)c2cccnc2)CC1	160752499	SBZOQESFKOYDMK-UHFFFAOYSA-N	218.300	2.392	70	20	BEID	
CCc1ncnc(N[C@H](COC)C(C)C)c1F	218038842	AKLHRXKZELVMHG-SNVBAGLBSA-N	241.310	2.261	70	20	BEID	
Cc1ccc(CN(C)C[C@H]2CCCOC2)nc1	160095477	LWWXSVUHIPQVRA-CYBMUJFWSA-N	234.343	2.248	70	20	BEID	
CC[C@H](N)c1nc(-c2ccoc2C)no1	160399538	UAMOKKWFQDVZOO-QMMMGPOBSA-N	207.233	2.048	70	20	BEID	
CC[C@@H](NCc1ccc(C)nc1)c1cnn(C)c1	161263571	VHDGOAYFGRBNJA-CQSZACIVSA-N	244.342	2.364	70	20	BEID	
CC[C@@H](NC(=O)C1CC1)c1c(C)noc1C	160623270	JPKWQCGLNQBNEI-SNVBAGLBSA-N	222.288	2.269	70	20	BEID	
CC(C)C[C@@H]1CCCN1Cc1nccn1C	160886110	ONMVDHFXFNOSEN-LBPRGKRZSA-N	221.348	2.431	70	20	BEID	
CC[C@H]1CCCCN1CCCCS(C)(=O)=O	161076660	VDVKMCIOSIAFPS-LBPRGKRZSA-N	247.404	2.076	70	20	BEID	
CCOCC(=O)N1CCc2c(Cl)cccc21	161467278	JUHOTEZMHICBCC-UHFFFAOYSA-N	239.702	2.266	70	20	BEID	
N[C@H]1CCC[C@H](NC(=O)CCc2ccccc2)C1	161198189	BGJAMGDICSASRC-KBPBESRZSA-N	246.354	2.005	70	20	BEID	
CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H](C)N	161297837	OCAQFAGJNMPXTD-NEPJUHHUSA-N	226.364	2.151	70	20	BEID	
CC1CCN(CCNc2cccc(F)n2)CC1	218120778	HPTCGVGMARFZIV-UHFFFAOYSA-N	237.322	2.365	70	20	BEID	
C[C@H](N[C@H]1CC[C@H](CO)CC1)c1ccccn1	159373528	PQLLCPSLUQVKSB-RWMBFGLXSA-N	234.343	2.283	70	20	BEID	
Cc1ccccc1[C@@H](C)NC(=O)N[C@@H]1CCOC1	159391018	YHJWIMFGZVIDEY-VXGBXAGGSA-N	248.326	2.144	70	20	BEID	
COC[C@H](C)Nc1ncccc1OC(C)C	159460456	ADLVYTSXXAZRNF-JTQLQIEISA-N	224.304	2.316	70	20	BEID	
Cc1cc(N[C@@H](C)c2nc(C(C)C)no2)nn1C	159581748	VNDNURWCTLCAHR-VIFPVBQESA-N	249.318	2.408	70	20	BEID	
CC(C)CNC(=S)N[C@H](C)C1CCC1	160038144	HKWMPTNHBSYVSK-SECBINFHSA-N	214.378	2.295	70	20	BEID	
COc1cc(NCc2cn(C)nc2C)ccc1F	159903785	XOJUVAKQHHXNMD-UHFFFAOYSA-N	249.289	2.488	70	20	BEID	
COc1cc(C)nc(N[C@@H](C)C2CCC2)n1	160072978	PWZWMJQFOVSOLW-VIFPVBQESA-N	221.304	2.394	70	20	BEID	
CC[C@@H](c1ccccc1)N(C)C[C@@H](C)O	159366873	RRHSSXHJWHVFQX-YPMHNXCESA-N	207.317	2.450	70	20	BEID	
C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCO1	159638547	ZHPASNJZAUDZBM-UTUOFQBUSA-N	225.332	2.250	70	20	BEID	
CC[C@H](SC)C(=O)NCC1(C2CC2)CC1	160093695	PAIFWOVMNHMNLE-JTQLQIEISA-N	227.373	2.434	70	20	BEID	
CC[C@H](C)C(=O)N(C)Cc1cccn1C	160372943	UDCIZUAYYDFXET-JTQLQIEISA-N	208.305	2.030	70	20	BEID	
CCCCn1ncc(C(=O)N(C)C(C)C)c1C	160669952	CWNQUWLYMWWKSA-UHFFFAOYSA-N	237.347	2.472	70	20	BEID	
CCCCN(CC)CCCS(=O)(=O)C(C)C	160764766	BARIMODLYXQJQL-UHFFFAOYSA-N	249.420	2.322	70	20	BEID	
C[C@@H](c1c(F)cccc1F)N(C)C[C@@H](C)O	159395571	HOXSSPZAOCTLPQ-BDAKNGLRSA-N	229.270	2.338	70	20	BEID	
CCCCCNC1CCC(NC(C)=O)CC1	161216032	NJFHIBTXQKYGIA-UHFFFAOYSA-N	226.364	2.214	70	20	BEID	
C[C@H](N)CN[C@@H](C)Cc1ccc(Cl)cc1	218296515	ABVMWXJPTFRJHL-UWVGGRQHSA-N	226.751	2.208	70	20	BEID	
Cc1cnc(C)c(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160411192	AGXWSALSPSKTNH-OLZOCXBDSA-N	247.342	2.463	70	20	BEID	
C[C@H]1CCC[C@@H](C(=O)N2CCSCC2)C1	160818005	HQWUDCNFMXHYIK-WDEREUQCSA-N	227.373	2.388	70	20	BEID	
Cc1cccc2c1CC[C@H]2NCC(=O)NC(C)C	160918139	TWWANTNGZCYYCJ-CQSZACIVSA-N	246.354	2.097	70	20	BEID	
CC[C@](C)(NC(=O)NC(C)C)c1nccs1	160792068	AWHZDLREVMAOCK-NSHDSACASA-N	241.360	2.476	70	20	BEID	
CNCCNCc1ccc(C(C)C)cc1	161266165	BEWMOOUPJWEKPJ-UHFFFAOYSA-N	206.333	2.119	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)COCC1CC1	159807955	DVBDMZVZQBCSMQ-VXGBXAGGSA-N	225.332	2.108	70	20	BEID	
CCn1ccnc1CN1CCC(C)CC1	160679601	QYJNPJFOXNRYOO-UHFFFAOYSA-N	207.321	2.135	70	20	BEID	
O=S(=O)(F)CCc1ccccc1Cl	258996586	WLPIAZDELFOFBZ-UHFFFAOYSA-N	222.668	2.182	70	20	BEID	
CC(C)(O)CN[C@H]1CCCOc2ccccc21	160631269	BPYLSCSRZFKCSF-LBPRGKRZSA-N	235.327	2.261	70	20	BEID	
Cc1noc(NC(=O)[C@H]2CCC[C@H](C)C2)n1	161248753	RRVYANUWEZOWRB-CBAPKCEASA-N	223.276	2.143	70	20	BEID	
CC(=O)c1ccc(N(C)C2CCC2)nc1	161420099	ZOCQFVPGJHHSOW-UHFFFAOYSA-N	204.273	2.273	70	20	BEID	
CCN(CCOC)C(=O)c1cccc(C)c1F	161445566	DWTZBMLXPQLUHZ-UHFFFAOYSA-N	239.290	2.243	70	20	BEID	
CN(CCCN1CCCCC1)Cc1cccnc1	161455379	ZFIGIOQADWVVMQ-UHFFFAOYSA-N	247.386	2.389	70	20	BEID	
O=S(=O)(Cl)CCC1=CCCCC1	214940845	XSGMFEWIIGHVFS-UHFFFAOYSA-N	208.710	2.446	70	20	BEID	
COc1ccc(OCCN2CC=CCC2)cc1	216819666	VJDLVYQZTTXOSQ-UHFFFAOYSA-N	233.311	2.336	70	20	BEID	
CCc1ncnc(NCc2ncccc2C)c1F	218007652	HVMLLKWKTNFUKT-UHFFFAOYSA-N	246.289	2.494	70	20	BEID	
CCC[C@@H](C(=O)NCCCOC)C(C)C	161369163	CGCYDCOTKVYPBH-LLVKDONJSA-N	215.337	2.211	70	20	BEID	
O=S(=O)(Cl)c1ccc(OCC2CC2)cc1	105101113	MAJCILSIBSJQPZ-UHFFFAOYSA-N	246.715	2.403	70	20	BEID	
O=S(=O)(F)c1ccc(C2CC2)cc1	149792175	BQVZISKHMJALSE-UHFFFAOYSA-N	200.234	2.222	70	20	BEID	
CN(C)C(=O)[C@@]1(C)CCCc2ccccc21	159574175	RKPLNRZUVDKQAI-AWEZNQCLSA-N	217.312	2.369	70	20	BEID	
Cc1nnc(CN2CC[C@@H]3CCCC[C@@H]32)o1	159623417	UUCRGFVBOXKCFV-QWRGUYRKSA-N	221.304	2.143	70	20	BEID	
CCC[C@H](CC)NC(=O)N1CCC[C@@](C)(O)C1	161251334	SDQNBDIYLLLJKY-WCQYABFASA-N	242.363	2.122	70	20	BEID	
C[C@H](Cc1ccccc1C(F)(F)F)NCCN	218191427	RPSZDDIOBRXYMF-SECBINFHSA-N	246.276	2.185	70	20	BEID	
Cn1cnnc1CN1CCC[C@H]1c1ccccc1	160738573	FUGGBQBXWFHWRF-ZDUSSCGKSA-N	242.326	2.152	70	20	BEID	
CN(Cc1nccn1C)c1ccc(F)cc1	160816578	JNERZOAWMCWBQZ-UHFFFAOYSA-N	219.263	2.196	70	20	BEID	
CCc1ncnc(S[C@@H](C)[C@@H](C)O)c1F	218048958	XHUVUOAYPBTHTK-RQJHMYQMSA-N	230.308	2.040	70	20	BEID	
CCC[C@@H]1C[C@H]1Nc1nccn2c(C)nnc12	218060882	QAZAJICJKYFVCL-NXEZZACHSA-N	231.303	2.033	70	20	BEID	
CCCCn1ncc(C(=O)NCC(C)C)c1C	159493817	BITNHMWLXFZAHP-UHFFFAOYSA-N	237.347	2.377	70	20	BEID	
COC(=O)c1ccc([C@@H](C)S[C@H](C)CO)o1	160725326	NENCVPNVWXAIHD-HTQZYQBOSA-N	244.312	2.241	70	20	BEID	
CCCC[C@H](C(=O)OC)N1CCC[C@@H]1C	160796129	HHMRTUCPBXYVNL-WDEREUQCSA-N	213.321	2.203	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[C@@H](C)C1	160902992	MZOWHBSEEBZWSK-UPJWGTAASA-N	241.375	2.336	70	20	BEID	
CN(CCCN1CCCCC1)[C@H]1CCSC1	161457686	UDTGFQBGAXJUND-ZDUSSCGKSA-N	242.432	2.300	70	20	BEID	
COC(CN1CC[C@H](c2ccccc2)[C@@H]1C)OC	161486915	VJWSJLKWJLBTEK-JSGCOSHPSA-N	249.354	2.483	70	20	BEID	
CCc1ncnc(NCC2CCC2)c1F	217970000	OZMGOCIEVPETFU-UHFFFAOYSA-N	209.268	2.390	70	20	BEID	
CC1=CCN(C(=O)OCC(F)(F)F)CC1	159968347	XLCSVFGZGGMUEZ-UHFFFAOYSA-N	223.194	2.337	70	20	BEID	
Cc1ccc(NC(=O)NCC(C)C)nc1	217269568	YWDKWTAWPCMDBT-UHFFFAOYSA-N	207.277	2.168	70	20	BEID	
CCN(C(=O)c1ccc(CN(C)C)cc1)C1CC1	159593918	TWYOHXKZQCECSL-UHFFFAOYSA-N	246.354	2.373	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)SC	159768748	UXEYPRFHQRPJDO-OPRDCNLKSA-N	215.362	2.433	70	20	BEID	
CCCC[C@@H](CC)CC(=O)NC[C@@H](C)CO	160493835	IVVJGQMVVAZSMI-VXGBXAGGSA-N	229.364	2.338	70	20	BEID	
CC(C)OCCCn1cnc(C(C)C)cc1=O	160658881	WCJSXMROKOJIFY-UHFFFAOYSA-N	238.331	2.182	70	20	BEID	
CCCN(CC1CC1)C(=O)[C@@H]1CCCCO1	160680745	BIGADXQCRYEYQH-LBPRGKRZSA-N	225.332	2.204	70	20	BEID	
C[C@H]1CC(NC2CCSCC2)C[C@H](C)O1	161066182	JCFXPXSJOPIXPA-UWVGGRQHSA-N	229.389	2.428	70	20	BEID	
C[C@@H](NCCc1nccs1)c1cscn1	161180355	BCRFZZCHVRJERP-MRVPVSSYSA-N	239.369	2.493	70	20	BEID	
N[C@@H]1CCC[C@H](NC(=O)CCC2CCCC2)C1	161198920	FTOOYBCZMBNPCX-OLZOCXBDSA-N	238.375	2.343	70	20	BEID	
CNCCNCc1cc(Cl)ccc1Cl	161262128	UENHDUAIFWUBNU-UHFFFAOYSA-N	233.142	2.302	70	20	BEID	
CCc1ncnc(NC[C@@H]2CCCOC2)c1F	217983471	MHILGZNYQGEMAZ-VIFPVBQESA-N	239.294	2.017	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1cccnc1OC	160997294	LVRMLWOQEYBYBY-RISCZKNCSA-N	248.326	2.143	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCOC1	159545845	SZENNIUJPRHNGM-IJLUTSLNSA-N	225.332	2.108	70	20	BEID	
CC(C)(O)CCSCC(=O)OC(C)(C)C	160983540	GAZXSRUFSXYBHE-UHFFFAOYSA-N	234.361	2.222	70	20	BEID	
CCc1ccc([C@@H](C)NCC(=O)NC(C)C)o1	161005572	IYTZUBIUDWEKBD-SNVBAGLBSA-N	238.331	2.017	70	20	BEID	
CCCCN[C@@](C)(CO)c1ccccc1	161158012	PFHVEWSQMSZQFQ-ZDUSSCGKSA-N	207.317	2.284	70	20	BEID	
O=C(NC1CCCCCCC1)C(F)F	217628822	DYXOMJNZYDIWIB-UHFFFAOYSA-N	205.248	2.481	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CC2CCC1CC2	306383566	COWBPBMGWOBSNS-KAVNDROISA-N	208.710	2.134	70	20	BEID	
Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)N)cc1	159912598	OTBCGZLXTKVIKI-TZMCWYRMSA-N	246.354	2.396	70	20	BEID	
C[C@@H]1C[C@@H](C)N(Cc2cccc(N)c2)C1	160518009	FGHFUURMSVFHRF-GHMZBOCLSA-N	204.317	2.499	70	20	BEID	
CC(C)C[C@H](CO)NC(=O)CCC1CCC1	160894678	UXUIZCLIXNLVCD-GFCCVEGCSA-N	227.348	2.090	70	20	BEID	
CCCn1c(C)nnc1COc1ccc(C)cn1	161381781	NQKDIYHIYIQCLN-UHFFFAOYSA-N	246.314	2.279	70	20	BEID	
CCOCCCn1ccnc1[C@@H](C)OCC	161491741	LLORVVGNPBBYGY-LLVKDONJSA-N	226.320	2.407	70	20	BEID	
C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCO2)[C@@H]1C	160678848	AARBAJKCADKABW-NDBYEHHHSA-N	239.359	2.496	70	20	BEID	
CCCC[C@H](S[C@H](C)CCO)C(=O)OC	160692131	QTFITKWKLLFRAB-ZJUUUORDSA-N	234.361	2.222	70	20	BEID	
CC1CC(NCc2cc(O)cc(F)c2)C1	159616502	KGXRQFNWPCXUGC-UHFFFAOYSA-N	209.264	2.419	70	20	BEID	
CS[C@@H](C)CC(=O)NCc1c(C)noc1C	161123488	QAVRKRJBHQWQLY-ZETCQYMHSA-N	242.344	2.049	70	20	BEID	
Cc1ncc(CN(C)CCOCC2CC2)s1	159370670	PVTQXDCRXMJVMB-UHFFFAOYSA-N	240.372	2.310	70	20	BEID	
CCCCOCC(=O)N[C@H]1CCC[C@H]1CC	159750580	XZKYMTQOJDKJCP-NEPJUHHUSA-N	227.348	2.498	70	20	BEID	
O=S(=O)(F)c1ccc(F)c(Cl)c1	105870055	NGBWNQJIBQKPCD-UHFFFAOYSA-N	212.604	2.137	70	20	BEID	
C[C@]1(C(=O)N2CCCCC2)C[C@H]1Br	140724383	REFSAERIVPOQOF-SCZZXKLOSA-N	246.148	2.172	70	20	BEID	
CC(C)c1cc(=O)n(CC2CCC2)cn1	160775984	NSDYYFOVAKSESO-UHFFFAOYSA-N	206.289	2.167	70	20	BEID	
Cc1cc(Cn2nc(C3CC3)nc2C2CC2)no1	161495335	GMLCCSHVJHKYNQ-UHFFFAOYSA-N	244.298	2.378	70	20	BEID	
CC(C)N1CC[C@@H](Sc2ccncc2)C1=O	159915254	YLZTWFZVRBMBHW-LLVKDONJSA-N	236.340	2.183	70	20	BEID	
C[C@H]1CCC[C@H](C(=O)Nc2cn[nH]c2)C1	160398485	OJZGCXSCJVOUML-IUCAKERBSA-N	207.277	2.175	70	20	BEID	
CCCCNC(=O)N(C)Cc1cccc(C)n1	160699992	VYUIXSLDPPXONJ-UHFFFAOYSA-N	235.331	2.332	70	20	BEID	
COC(=O)c1cccc(N[C@@H](C)[C@@H](C)OC)c1	161152724	PKORQIPWEONHDU-VHSXEESVSA-N	237.299	2.309	70	20	BEID	
CC(C)(C)CCC(=O)N[C@@H]1CCC[C@H](N)C1	161454692	KVSILEKEQCTIHE-WDEREUQCSA-N	226.364	2.199	70	20	BEID	
C[C@@H]1CCC[C@@H](OCC(=O)NC2CC=CC2)C1	161013936	QGZRUCSBBKMQJU-DGCLKSJQSA-N	237.343	2.417	70	20	BEID	
CCC(O)(CC)CN[C@@H](C)c1cscn1	161179234	UMEZGWVWGRCUOK-VIFPVBQESA-N	228.361	2.345	70	20	BEID	
O=C(N[C@@H]1CCCc2occc21)[C@H]1CCCCO1	161464261	SBKXTSCVLFULHF-DGCLKSJQSA-N	249.310	2.342	70	20	BEID	
C[C@@H](Cc1ccccc1C(F)(F)F)NCCN	218191352	RPSZDDIOBRXYMF-VIFPVBQESA-N	246.276	2.185	70	20	BEID	
CCC1(CNC(=O)NC[C@H](C)SC)CC1	159458073	UNCZRZAIQPUULE-VIFPVBQESA-N	230.377	2.227	70	20	BEID	
Cn1cccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159641487	HSKFYXDNTJFDAP-MCIONIFRSA-N	246.354	2.072	70	20	BEID	
Cc1ccc(C(=O)NCC2(C3CC3)CC2)cn1	159828484	LVVQSWKUODHREN-UHFFFAOYSA-N	230.311	2.310	70	20	BEID	
C[C@@](O)(CN[C@H]1CCSC1)c1ccsc1	159894052	ACDSZGAIAKKONP-WDEREUQCSA-N	243.397	2.051	70	20	BEID	
Cc1ccnc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160282039	YGWYEVJNGAPNMX-RYUDHWBXSA-N	233.315	2.155	70	20	BEID	
Cc1cnc(C)c(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160411448	AGXWSALSPSKTNH-CHWSQXEVSA-N	247.342	2.463	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccnc(OC)c1	160833132	HXGHHGQOCWVFKQ-FZMZJTMJSA-N	248.326	2.143	70	20	BEID	
NCC1CCN(C/C=C\c2ccccc2)CC1	217483553	YTPVVJXNAPIVTL-DAXSKMNVSA-N	230.355	2.371	70	20	BEID	
CC[C@H](COCC1CC1)CS(=O)(=O)Cl	114433409	RYDTWOXAGHQZNN-MRVPVSSYSA-N	240.752	2.008	70	20	BEID	
Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159588936	CLKVACXSMNDRKV-UHFFFAOYSA-N	242.278	2.244	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ncoc1C	159675820	WFKIMWZOUQOHRS-UWVGGRQHSA-N	222.288	2.292	70	20	BEID	
CCC[C@H](C)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160245316	FPZAIJWAXPBKOI-RWMBFGLXSA-N	238.375	2.166	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)CC1CCCC1	160510169	JLOGCICGUNXQIM-JTQLQIEISA-N	241.331	2.025	70	20	BEID	
CC[C@H](C)C[C@@H](CC)N[C@@H](C)CC(N)=O	160680622	QLMCZMAEBMTMPP-GARJFASQSA-N	214.353	2.055	70	20	BEID	
CCN(C(=O)c1cccc2[nH]cnc12)C1CC1	159390251	LBNUDJSEXZRXOM-UHFFFAOYSA-N	229.283	2.187	70	20	BEID	
C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](N)C2)CC1	216859459	AACAJTULPLRYFA-YNEHKIRRSA-N	238.375	2.153	70	20	BEID	
CCCOCCCCCS(=O)(=O)Cl	113155898	ITEKSTXBEYKLOE-UHFFFAOYSA-N	228.741	2.152	70	20	BEID	
C[C@H](CCO)Nc1nnc(C(C)(C)C)s1	160659062	LQOAPGUDVVTGPV-SSDOTTSWSA-N	229.349	2.018	70	20	BEID	
C[C@H](c1ccccc1F)N(C)Cc1nncn1C	160809268	KTELNRNKGIJCDJ-SNVBAGLBSA-N	248.305	2.147	70	20	BEID	
CC(C)C[C@@H](CO)N[C@H](C)c1cscn1	161163924	ACYHWHWHTWHNBD-ZJUUUORDSA-N	228.361	2.201	70	20	BEID	
CCNCCNCc1cccc(Cl)c1F	161303539	HPKGPLLFVYGDMD-UHFFFAOYSA-N	230.714	2.178	70	20	BEID	
CCCCCN1C(=O)C[C@@]2(CCSC2)C1=O	159837551	XFLOVZQCRQRIEI-GFCCVEGCSA-N	241.356	2.059	70	20	BEID	
O=C(NCc1ncccc1F)N[C@@H]1C=CCCC1	160271373	OVINVPLQUJWFNW-SNVBAGLBSA-N	249.289	2.129	70	20	BEID	
CC[C@@]1(C)CCCN(C(=O)[C@@H](N)C(C)C)C1	160778309	YRNNIEXZGDUWFK-AAEUAGOBSA-N	226.364	2.008	70	20	BEID	
CC[C@H](NC(=O)N[C@@H]1CCOC1)c1ccccc1	159372262	CJTBDRXKEMOAEC-OLZOCXBDSA-N	248.326	2.226	70	20	BEID	
CCOC(=O)CN(C)CCC1CCCC1	159704111	IFNRRXUURLOPML-UHFFFAOYSA-N	213.321	2.062	70	20	BEID	
C[C@H](NC(=O)OCC(F)(F)F)C1CCC1	159968818	MXBVBWRWQCASCW-LURJTMIESA-N	225.210	2.464	70	20	BEID	
NC(=O)c1ccc(CSCCCF)cc1	161167032	ZOZPNDIKQDQKEH-UHFFFAOYSA-N	227.304	2.378	70	20	BEID	
O=C(OC[C@H]1CCCO1)c1cnccc1Cl	161406432	XXGUGPAYQPULBK-MRVPVSSYSA-N	241.674	2.071	70	20	BEID	
CC[C@H](C)N(C)CCN[C@@H]1CS[C@@H](C)C1	217749608	UNIGSKGMPQBISM-SRVKXCTJSA-N	230.421	2.200	70	20	BEID	
C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]cnc12	159425928	LHVXFMGRVHEITB-KOLCDFICSA-N	243.310	2.481	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1cccnc1	159523713	KQBHOIYPTFCZAJ-CMPLNLGQSA-N	218.300	2.390	70	20	BEID	
COc1cc(NCc2cnn(C)c2C)ccc1F	159908234	ILCBTOPCHVRZPB-UHFFFAOYSA-N	249.289	2.488	70	20	BEID	
CC(C)OCCCC(=O)Nc1cccc(F)n1	160529808	CRYTWLWIGPHNOJ-UHFFFAOYSA-N	240.278	2.364	70	20	BEID	
c1nc2c(n1CC1CCOCC1)CCCC2	160723850	FLYMWKOGPBMYCQ-UHFFFAOYSA-N	220.316	2.189	70	20	BEID	
N[C@H](C(=O)NCC1=CCCCC1)c1ccccc1	216702074	BKFZJJVRSXUKML-AWEZNQCLSA-N	244.338	2.303	70	20	BEID	
C[C@@H](CSC(C)(C)C)NCC(C)(C)O	160617288	XIQNOSBEYAIFNU-VIFPVBQESA-N	219.394	2.267	70	20	BEID	
O=S(=O)(Cl)Oc1cccc(Cl)c1	100634924	BAGMKQGEOVIGND-UHFFFAOYSA-N	227.068	2.202	70	20	BEID	
CCONC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	159593037	XKQHLWPADYCPPO-IUCAKERBSA-N	241.237	2.136	70	20	BEID	
CCCC[C@@H](SC[C@H](C)CO)C(=O)OC	160802293	OZMPVXVDRMDSEZ-NXEZZACHSA-N	234.361	2.080	70	20	BEID	
CC[C@@H](C)[C@H](C)NC(=O)/C=C/c1cnn(C)c1C	161058399	NWXPYRNKVBXWKP-SFEFJYQLSA-N	249.358	2.293	70	20	BEID	
CC(C)CCNC(=O)N[C@H](CCO)C(C)(C)C	161126379	OEBVEAHVHGAVDF-LLVKDONJSA-N	244.379	2.129	70	20	BEID	
CCC(=O)NCCc1cc2ccccc2[nH]1	159672504	LCKZCKBPUSSARG-UHFFFAOYSA-N	216.284	2.237	70	20	BEID	
CCn1ccnc1CNC[C@H]1CC1(C)C	217806282	XEHLJNNXBYUKOC-SNVBAGLBSA-N	207.321	2.039	70	20	BEID	
Cc1nc(CCNC(=O)C(C)(C)F)sc1C	160311755	LMVRWUAFQIXEAO-UHFFFAOYSA-N	244.335	2.167	70	20	BEID	
CN(Cc1cccn1C)C(=O)c1cccs1	160352350	WFWBQOKJEJQVMB-UHFFFAOYSA-N	234.324	2.359	70	20	BEID	
CCC(CC)CNC(=O)NC[C@@H](O)[C@H](C)CC	160584916	FAVYQLGMXWMISW-ZYHUDNBSSA-N	244.379	2.129	70	20	BEID	
Cc1ccc(OCCCS(=O)(=O)Cl)cc1	100495401	SBPDGOXKNYPOLF-UHFFFAOYSA-N	248.731	2.333	70	20	BEID	
C[C@H](NC[C@]1(C)CCCO1)c1cscn1	161221668	NWNOOQGDQISKKF-ONGXEEELSA-N	226.345	2.363	70	20	BEID	
C[C@@H]1CCC[C@H](CNC2(CO)CCC2)C1	161250340	PTEXGYCDUADCRI-NEPJUHHUSA-N	211.349	2.317	70	20	BEID	
COC[C@@H](C)NC(=S)NCC(C)(C)C(C)C	218745893	NATASXKJMPWJKD-SNVBAGLBSA-N	246.420	2.168	70	20	BEID	
CCOC(C)(C)CNc1ccc2nccnc2n1	159508934	NNGPALHHLFIOON-UHFFFAOYSA-N	246.314	2.252	70	20	BEID	
O=C(Nc1cc(F)ccc1O)[C@H]1CCCCO1	160008726	AHZROLAYFXXRCA-LLVKDONJSA-N	239.246	2.039	70	20	BEID	
CCC[C@H](O)CNC(=O)[C@@H](CCC)C(C)C	160022791	ZDRWJPLCTWDONM-RYUDHWBXSA-N	229.364	2.336	70	20	BEID	
CCC(=O)N[C@@H](CC)c1c(C)noc1C	160382298	WIFMXMRPKIQRFR-VIFPVBQESA-N	210.277	2.269	70	20	BEID	
O=C(CSCc1ccncc1)NC1CC=CC1	160850662	JQRWGDXTMBQWQJ-UHFFFAOYSA-N	248.351	2.150	70	20	BEID	
CCC[C@H](C(=O)N[C@@H](C)COC)C(C)C	160953536	XJALHGPEXQLROK-QWRGUYRKSA-N	215.337	2.210	70	20	BEID	
CC(C)c1nccc(N(C)CC2CCOCC2)n1	161270318	GMFLMHRIQFEEMR-UHFFFAOYSA-N	249.358	2.463	70	20	BEID	
CNCCNCc1c(Cl)cccc1Cl	161284144	SLVAQGAQFDCDJL-UHFFFAOYSA-N	233.142	2.302	70	20	BEID	
Cc1ccnc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160282168	YGWYEVJNGAPNMX-VXGBXAGGSA-N	233.315	2.155	70	20	BEID	
CCN(C(=O)Nc1ccc(C)nc1)C1CC1	161509355	VUCILVDSLOLWDU-UHFFFAOYSA-N	219.288	2.406	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)CCCCOC	159551545	INBRLGFTLZFZNP-RYUDHWBXSA-N	227.348	2.498	70	20	BEID	
COC[C@H](NCCC(C)(C)O)c1ccc(C)o1	159672657	UADVKDHUPXEYSH-NSHDSACASA-N	241.331	2.026	70	20	BEID	
Cc1ccccc1[C@@H](NC(=O)[C@H](C)N)C(C)C	159689220	ZBQHHPPZXXYUNS-AAEUAGOBSA-N	234.343	2.156	70	20	BEID	
Cc1cnc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1	160336778	XZYYBECDJNFTJW-VXGBXAGGSA-N	233.315	2.155	70	20	BEID	
CC(C)(C)CCCNC(=O)C[C@H]1CCCN1	160539857	IHPSMOJAFWYRQW-LLVKDONJSA-N	226.364	2.071	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccccn1	160827101	QKECMXWPWXXCPH-OCCSQVGLSA-N	232.327	2.177	70	20	BEID	
CCOC(=O)[C@H](C)SCC(=O)OC(C)(C)C	160984064	LJTLVPHWRYNPSO-QMMMGPOBSA-N	248.344	2.013	70	20	BEID	
CCN(Cc1c(C)nn(C)c1C)CC(F)(F)F	161058678	ZBFPLORSTNMDTO-UHFFFAOYSA-N	249.280	2.421	70	20	BEID	
CC[C@@H](SC)C(=O)NCC1(C2CC2)CC1	160093813	PAIFWOVMNHMNLE-SNVBAGLBSA-N	227.373	2.434	70	20	BEID	
Cc1cc(CN[C@@H](C)c2cscn2)no1	161167121	HBOPEOVWAIICAQ-QMMMGPOBSA-N	223.301	2.290	70	20	BEID	
COCc1noc(-c2cc(F)c(F)cc2F)n1	161318206	FLYDZXMUPHSJIY-UHFFFAOYSA-N	244.172	2.300	70	20	BEID	
COCCCCCNCc1nccs1	218169510	QDFQKOYUOZCAQF-UHFFFAOYSA-N	214.334	2.049	70	20	BEID	
O=S(=O)(Cl)Cc1ccn(C2CCCC2)n1	113264800	KZSYOFMUYLNCFQ-UHFFFAOYSA-N	248.735	2.067	70	20	BEID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@H]2C)cc1F	159540805	HLUALQRAJMZKLZ-PSASIEDQSA-N	237.274	2.453	70	20	BEID	
C[C@H](O)C[C@@H](CNC(=O)C1CC1)c1ccccc1	159600327	BUKNOUBBEXPURH-FZMZJTMJSA-N	247.338	2.067	70	20	BEID	
CC[C@@H](NCCC(C)(C)O)c1c(C)noc1C	159761322	HEIAYYBRWSVFIC-LLVKDONJSA-N	240.347	2.493	70	20	BEID	
C[C@H]1CCN(C(=O)NC2CCC2)C[C@@H]1C	160864819	UASWLAOZZBOFFO-UWVGGRQHSA-N	210.321	2.226	70	20	BEID	
CSCCN(C)CCCN1CCCCC1	161415250	QDCQBMOVBQOPLO-UHFFFAOYSA-N	230.421	2.157	70	20	BEID	
COc1ccc2c(c1)[C@H](S(=O)(=O)Cl)CC2	261322053	GXDJWOZNZSYVHN-SNVBAGLBSA-N	246.715	2.251	70	20	BEID	
CCCCCOc1cccc(OCC(N)=O)c1	159870255	CATBTFQHFKXSSI-UHFFFAOYSA-N	237.299	2.120	70	20	BEID	
COc1cccnc1NCCCSC	160235946	VLBVSSKLGNTUOD-UHFFFAOYSA-N	212.318	2.255	70	20	BEID	
C[C@H]1CCN(C(=S)NC2CC2)C[C@H]1C	160871464	FKXAEDPMSUBNFY-DTWKUNHWSA-N	212.362	2.001	70	20	BEID	
CCC[C@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1	160892952	BFBPXSJJVGGNAM-BZPMIXESSA-N	248.370	2.422	70	20	BEID	
COc1ccc(CNc2ccnc(C)c2)cn1	160916267	GQQHBOQYEXRHMJ-UHFFFAOYSA-N	229.283	2.406	70	20	BEID	
C[C@@H](O)CNC1CCC2(CCCC2)CC1	161362881	JEVRRFSHOYEJET-LLVKDONJSA-N	211.349	2.460	70	20	BEID	
CC1(C)C[C@H](Nc2ccccn2)CCO1	160667231	FSJPDGJDLZTXIS-SNVBAGLBSA-N	206.289	2.451	70	20	BEID	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)Cl	306316486	RKRKRKOBYFYLQZ-XGEHTFHBSA-N	222.737	2.380	70	20	BEID	
CCN(CC)C(=O)CN1CC[C@@H]2CCCC[C@@H]21	159654448	WYTMNFILUCTCAU-STQMWFEESA-N	238.375	2.119	70	20	BEID	
CC(C)c1cc(N[C@]2(C)CCOC2)ncn1	160073234	RBHLOFLXWGZXJM-GFCCVEGCSA-N	221.304	2.191	70	20	BEID	
CCc1nc(CN[C@H](C)c2ccccc2)n[nH]1	160261780	BGWAJLIKYNBFSI-SNVBAGLBSA-N	230.315	2.218	70	20	BEID	
C[C@H](CC(=O)N(C)[C@H](C)CO)c1ccccc1	160394619	NKUBXNKGFBPSRP-VXGBXAGGSA-N	235.327	2.019	70	20	BEID	
Cc1cc(N[C@@H]2CCOC(C)(C)C2)ncn1	160659597	WCKSOQKVLXEXFT-SNVBAGLBSA-N	221.304	2.155	70	20	BEID	
COC[C@H](NC(=O)N[C@H](C)CC(C)C)C1CC1	160937004	BZGJXQNOUSEBFC-PWSUYJOCSA-N	242.363	2.145	70	20	BEID	
C[C@H](NCCO)c1cccc(OC(F)(F)F)c1	159718965	ZVSHMXMTPKIBEO-QMMMGPOBSA-N	249.232	2.228	70	20	BEID	
C[C@@H]1CCC[C@H](NC(=O)C(F)F)[C@@H]1C	217650379	DQZMKRCTTZBNLU-PRJMDXOYSA-N	205.248	2.192	70	20	BEID	
CC(C)C[C@H](N)c1nc([C@@H]2C[C@H]2C)no1	161007224	OQJBGNULXCEAPZ-HLTSFMKQSA-N	209.293	2.239	70	20	BEID	
CCCNCCNCc1ccccc1C	161358515	JUJUIIGTPBFTSR-UHFFFAOYSA-N	206.333	2.084	70	20	BEID	
C[C@H]1CCCC[C@@H]1CS(=O)(=O)Cl	215095216	WUFVNNCYVWPDNS-JGVFFNPUSA-N	210.726	2.381	70	20	BEID	
CC[C@H](C)C(=O)N(C)[C@@H](CO)Cc1ccccc1	216912472	RETUYCNEVMHJNG-GXTWGEPZSA-N	249.354	2.095	70	20	BEID	
CSCCNC(=O)c1cc(F)c(C)cc1F	159750392	RICDIIPLKRNLAF-UHFFFAOYSA-N	245.294	2.366	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnn(CC)c1	159751100	XZLOGDALHNDDBN-CMPLNLGQSA-N	235.331	2.212	70	20	BEID	
Cc1nccn1Cc1noc(-c2ccsc2)n1	160630902	ZIFWFENMOOCPEP-UHFFFAOYSA-N	246.295	2.351	70	20	BEID	
O=S(=O)(Cl)Cc1ccc2c(c1)CCC2	106157376	QCXJLDRDZUYDDD-UHFFFAOYSA-N	230.716	2.244	70	20	BEID	
O=S(=O)(Cl)Cc1ccnc2ccccc12	113701213	FXSJQYAUCZPTGI-UHFFFAOYSA-N	241.699	2.303	70	20	BEID	
CCNC(=O)N1Cc2ccc(C)cc2C1	218419846	PKSXFPDMTDMZSA-UHFFFAOYSA-N	204.273	2.040	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccco1	159798324	AIKCMJXBQYIAQP-DGCLKSJQSA-N	221.300	2.375	70	20	BEID	
CCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159926301	ZLHLUAMJLACYSX-SNVBAGLBSA-N	211.305	2.004	70	20	BEID	
COc1ccc(C(=O)N2CC=C(C)CC2)c(O)c1	160228467	LQNCYOQXVCSDIQ-UHFFFAOYSA-N	247.294	2.193	70	20	BEID	
COc1cc(NC(=O)C(C)C)ccc1F	160557342	MMDVTNAGXIBFCD-UHFFFAOYSA-N	211.236	2.429	70	20	BEID	
CCCCCCC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160730163	QNDZZMNYWDJUSH-BETUJISGSA-N	238.375	2.310	70	20	BEID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1cnccn1	161179566	YKHNEDCWEBYWAH-QWHCGFSZSA-N	248.374	2.002	70	20	BEID	
CS[C@@H](C)CC(=O)Nc1ccc(F)cn1	160205439	SUDIQXRZQHVDHM-ZETCQYMHSA-N	228.292	2.301	70	20	BEID	
CCCC[C@H](CC)CC(=O)N1CC[C@H](NC)C1	160589232	OQLAAWSEBMRILD-STQMWFEESA-N	240.391	2.413	70	20	BEID	
c1nc2c(n1C[C@@H]1CCCCO1)CCCC2	160727085	BNQGYWBVYQNFID-NSHDSACASA-N	220.316	2.331	70	20	BEID	
CC[C@H](SC)C(=O)Nc1cccc(F)n1	160834592	LKOZBEZDDKVTOZ-ZETCQYMHSA-N	228.292	2.301	70	20	BEID	
CCOCCC(=O)NCCCSCC(C)C	160842632	WPNZBNHCRSZIIE-UHFFFAOYSA-N	247.404	2.309	70	20	BEID	
COC(=O)[C@@H](NC1CC=CC1)c1ccc(F)cc1	160899792	GQPYZRCTSLMVLJ-ZDUSSCGKSA-N	249.285	2.348	70	20	BEID	
C[C@H](N[C@H](C)CCN(C)C)c1cscn1	161178345	YBSZRLQZLWKSLI-ZJUUUORDSA-N	227.377	2.134	70	20	BEID	
COc1cccnc1N(C)C(=O)OC(C)(C)C	159542940	CIFYZEHVOHXYAP-UHFFFAOYSA-N	238.287	2.462	70	20	BEID	
O=C1CC(C(=O)N[C@H]2CCCc3sccc32)C1	160098158	MNMUWJYLRXEICZ-NSHDSACASA-N	249.335	2.221	70	20	BEID	
CS[C@H](C)CNc1nc(C)cc(C)n1	160437368	GMPBBZBYPCCNTQ-SECBINFHSA-N	211.334	2.257	70	20	BEID	
CCC[C@@H]1CCCN(c2cnccn2)C1	160604854	HFZQPSJOSYTIFM-LLVKDONJSA-N	205.305	2.493	70	20	BEID	
CC(C)NCCC(=O)N1C[C@@H](C)CCC[C@@H]1C	160935303	DJYYUVFOMLTIOJ-STQMWFEESA-N	240.391	2.412	70	20	BEID	
CCCC[C@@H](C(=O)OC)N1CCC[C@@H](C)C1	218201238	JNNSVYXHZSQXIO-NEPJUHHUSA-N	227.348	2.450	70	20	BEID	
COc1cccnc1NCc1scnc1C	159448621	ZIHMPXQCXWZZQE-UHFFFAOYSA-N	235.312	2.467	70	20	BEID	
COCCC1(C(=O)Nc2ccncc2)CCC1	159605277	JMDUQGLDMCHHLE-UHFFFAOYSA-N	234.299	2.227	70	20	BEID	
CCc1noc(CN2CC[C@@H]3CCCC[C@@H]32)n1	159697760	IQUUJBZUKPNHPY-QWRGUYRKSA-N	235.331	2.397	70	20	BEID	
CC(C)(N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1	159714203	ZFGDNDLAJQBGGF-STQMWFEESA-N	246.354	2.176	70	20	BEID	
CCCSCC(=O)N(C)Cc1cccn1C	160979264	UKQRCJOYYABBBC-UHFFFAOYSA-N	240.372	2.127	70	20	BEID	
CC[C@H]1CCCN1Cc1ccc(CO)o1	161166084	QDCSIIAXJWKJAN-JTQLQIEISA-N	209.289	2.146	70	20	BEID	
CCCCN(CCCC)C[C@H]1COCCO1	217510594	FWSHQDVTBXZMLE-ZDUSSCGKSA-N	229.364	2.304	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)NCCc1ccco1	159798571	AIKCMJXBQYIAQP-WCQYABFASA-N	221.300	2.375	70	20	BEID	
CCNC(=O)NC1(c2cccc(F)c2)CC1	160818695	CAWWZOMAPGYHMY-UHFFFAOYSA-N	222.263	2.134	70	20	BEID	
CCc1ncnc(NCCOCC2CC2)c1F	218010927	DVDSTOHJVOCMKQ-UHFFFAOYSA-N	239.294	2.017	70	20	BEID	
Fc1cccc(NCCCOCC2CC2)n1	218112530	AANITVKYVQRUMT-UHFFFAOYSA-N	224.279	2.449	70	20	BEID	
C[C@@H]1CCC[C@](F)(CS(=O)(=O)Cl)C1	1537958966	QLLPZFMVTRBZDR-HTQZYQBOSA-N	228.716	2.473	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)NCC1(N)CCCCC1	159590747	ZRLKOKKTBVVSRS-AAEUAGOBSA-N	238.375	2.200	70	20	BEID	
CCCC[C@H](CC)CC(=O)NC[C@H](C)CO	160494216	IVVJGQMVVAZSMI-RYUDHWBXSA-N	229.364	2.338	70	20	BEID	
CCCOc1ccc(NC(=S)NC)cc1	161231525	LVKUTXTUUIXMJV-UHFFFAOYSA-N	224.329	2.392	70	20	BEID	
CC[C@@H](C)N(C)CCN[C@@H](C)C1CCOCC1	160150717	DSUAJKPDKDQHQN-OLZOCXBDSA-N	242.407	2.121	70	20	BEID	
CN(Cc1cccc(F)c1)Cc1csnn1	160468973	SXAGSRMUZLSPGW-UHFFFAOYSA-N	237.303	2.309	70	20	BEID	
CNC(=O)C(C)(C)CNc1nc2ccccc2o1	161074713	BTILLKKZDQNPEA-UHFFFAOYSA-N	247.298	2.012	70	20	BEID	
CS[C@H](C)CNC(=O)NCC1(C(C)C)CC1	159559297	FYYOVBXMYANWCF-SNVBAGLBSA-N	244.404	2.473	70	20	BEID	
Cc1ccc([S@@](=O)Cc2nccs2)nc1	160659673	DYYHXOYIGNGISU-OAHLLOKOSA-N	238.337	2.154	70	20	BEID	
O=C(NCc1cccc(F)c1)[C@H]1CCCCO1	160949827	IZMFWFXODOWWNQ-GFCCVEGCSA-N	237.274	2.011	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1cccnc1OC	160997181	LVRMLWOQEYBYBY-BXUZGUMPSA-N	248.326	2.143	70	20	BEID	
C[C@@H](NC(=O)c1cccc(F)n1)C1CCC1	160753756	SYGCITJBLDWXOD-MRVPVSSYSA-N	222.263	2.139	70	20	BEID	
O=S(=O)(Cl)c1cccc(CF)c1	214932925	CMNKLCAUDPPRND-UHFFFAOYSA-N	208.641	2.084	70	20	BEID	
CC(C)c1ccc(CCCNC(=O)[C@@H](C)N)cc1	159607521	ODOYEMBGERAECT-GFCCVEGCSA-N	248.370	2.206	70	20	BEID	
CC(C)c1cccc(NC(=O)NC2(CO)CC2)c1	160282111	DXYVXGOCTXDCQQ-UHFFFAOYSA-N	248.326	2.456	70	20	BEID	
CCN(C)C(=O)N(C)Cc1ccccc1OC	160389219	NGMKOJSGOIPCKK-UHFFFAOYSA-N	236.315	2.199	70	20	BEID	
Cc1cnc(C)c(NCCCOCC2CC2)n1	218648227	GJWLBYJWQSBCSR-UHFFFAOYSA-N	235.331	2.322	70	20	BEID	
CC[C@H](C)OC[C@@H](CC)CS(=O)(=O)Cl	114433432	SGFYGWFJSJYBMR-DTWKUNHWSA-N	242.768	2.396	70	20	BEID	
COC[C@@H](C)Nc1ccn(CCC(C)C)n1	159928574	VJPBBMZASHQNJD-LLVKDONJSA-N	225.336	2.376	70	20	BEID	
CCCC[C@H](SC[C@@H](C)CO)C(=O)OC	160801945	OZMPVXVDRMDSEZ-UWVGGRQHSA-N	234.361	2.080	70	20	BEID	
Fc1cccc(NC[C@@H]2CCN(C3CC3)C2)n1	218120325	JHOWHEKVKYZABI-JTQLQIEISA-N	235.306	2.117	70	20	BEID	
CN[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1	160597509	XAOFZDRFZDZWCP-GXTWGEPZSA-N	246.354	2.001	70	20	BEID	
O=C(CCc1ccc(F)cc1F)NCC(F)F	159422010	XWXYFTYUHWTCGG-UHFFFAOYSA-N	249.207	2.279	70	20	BEID	
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(C)(C)F	160738585	XKBBZLAAOWJEQN-VIFPVBQESA-N	239.290	2.188	70	20	BEID	
CCc1ncnc(N[C@H](C)C2CC2)c1F	217960283	FMPWKQVIDTYQOQ-SSDOTTSWSA-N	209.268	2.389	70	20	BEID	
CCc1ncnc(NCC(C)(C)OC)c1F	218044118	ZTBFFSQAESFIQJ-UHFFFAOYSA-N	227.283	2.015	70	20	BEID	
CCc1c(Cl)ncnc1N[C@@H](CC)CCO	218141865	PMKHIOJUDGCQLR-QMMMGPOBSA-N	243.738	2.265	70	20	BEID	
C[C@@H](c1ncc(C(C)(C)C)o1)N(C)C[C@@H](C)O	159540751	FPBDUXSXVSDNQU-ZJUUUORDSA-N	240.347	2.346	70	20	BEID	
CC(C)N(C(=O)[C@@H]1CCC[C@H](N)C1)C1CCC1	160560590	RHBINXUQRXPAJU-NEPJUHHUSA-N	238.375	2.293	70	20	BEID	
Cc1nccc(N[C@@H]2CCOC(C)(C)C2)n1	160663127	CFHDEYGIRYIGIR-SNVBAGLBSA-N	221.304	2.155	70	20	BEID	
C[C@@H](CO)Sc1cc(Cl)nc(C2CC2)n1	161151658	AXYXQWYTPSJJJX-LURJTMIESA-N	244.747	2.480	70	20	BEID	
CCC[C@H](O)CNc1ncnc(Cl)c1CC	218146101	FJFPKGZDNQWSEN-QMMMGPOBSA-N	243.738	2.265	70	20	BEID	
O=S(=O)(Cl)c1ccc(F)c(CCl)c1	133899355	PRLYXSSWTFKROR-UHFFFAOYSA-N	243.086	2.492	70	20	BEID	
CC1(Nc2ncnc3c2CCC3)CCC1	159974405	VTSPULWZFOHAJN-UHFFFAOYSA-N	203.289	2.320	70	20	BEID	
CCOCCCNC(=S)N[C@@H](C)C1CCC1	160038848	VPSGBTYVVDCSAV-JTQLQIEISA-N	244.404	2.066	70	20	BEID	
COCCSCCc1c(C)noc1C	160118016	AEDLRYSFOGNLED-UHFFFAOYSA-N	215.318	2.214	70	20	BEID	
CC(C)/N=c1/ccccn1C(=O)[C@@H]1CCCCO1	160573801	LYJWQOPBTLNQGV-AHAXBBEGSA-N	248.326	2.007	70	20	BEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccccc1C	160738738	WTMNKKJIHYZYIC-NSHDSACASA-N	249.310	2.067	70	20	BEID	
COc1ccc(NC(=O)CCC2CC2)cc1N	161023856	JJBSMMGIQUWVPY-UHFFFAOYSA-N	234.299	2.406	70	20	BEID	
CCc1ccc(/C=C/C(=O)N[C@H]2CCCOC2)o1	159841585	YKEPQQSWFVXICU-AEZGRPFRSA-N	249.310	2.150	70	20	BEID	
CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C)C2)CCO1	159877201	UPYCSCLRLAQSAV-RWMBFGLXSA-N	239.359	2.450	70	20	BEID	
CN(C(=O)c1cc(F)ccc1O)C1CCC1	161308313	YRWZYMHRFNGWQC-UHFFFAOYSA-N	223.247	2.156	70	20	BEID	
CCSCCN(C)CC(=O)OC(C)(C)C	160122552	SVRBIAGEVSMTLJ-UHFFFAOYSA-N	233.377	2.013	70	20	BEID	
CC(C)/N=c1/ccccn1C(=O)[C@H]1CCCCO1	160573932	LYJWQOPBTLNQGV-GMXMXKFQSA-N	248.326	2.007	70	20	BEID	
C[C@@H](CCC1CCCCC1)NC(=O)[C@@H](C)N	160914458	SZFLCAHTFIWDDR-WDEREUQCSA-N	226.364	2.199	70	20	BEID	
CSCCN[C@H](C)c1cscn1	161137441	CBWOTITYQVXGDS-SSDOTTSWSA-N	202.348	2.157	70	20	BEID	
CCC[C@@H](C)CC(=O)N[C@@H](C)CC(=O)OCC	160380920	ZOZRUTGCWITNPX-MNOVXSKESA-N	243.347	2.271	70	20	BEID	
CCCCNC(=O)C1(CCOCC)CCC1	160517431	GLGLONLHTHJBQV-UHFFFAOYSA-N	227.348	2.500	70	20	BEID	
C[C@H](N[C@H](CCO)c1ccccc1)[C@H]1CCOC1	160973494	XXIJCGRCYYMBED-AEGPPILISA-N	249.354	2.125	70	20	BEID	
CCN1CCCC[C@H]1CN[C@@H](COC)C(C)C	161199061	FEWPJTRIXNVPAI-KBPBESRZSA-N	242.407	2.121	70	20	BEID	
CC(C)C(=O)NCCc1cc2ccccc2[nH]1	159695887	SWANBOCIGIUEDE-UHFFFAOYSA-N	230.311	2.483	70	20	BEID	
CC(C)(N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159713963	ZFGDNDLAJQBGGF-OLZOCXBDSA-N	246.354	2.176	70	20	BEID	
CS[C@H](C)CC(=O)N1C[C@H](C)OC(C)(C)C1	161230258	PPHGULOWYPPHMZ-VHSXEESVSA-N	245.388	2.154	70	20	BEID	
CCO[C@@H](C)c1nccn1CC1CCOCC1	161490976	SARGLBKAJQHXED-NSHDSACASA-N	238.331	2.407	70	20	BEID	
O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCCCO1	160918773	FFHNSFKHAKTNDC-LBPRGKRZSA-N	245.282	2.071	70	20	BEID	
C[C@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl	161149821	ZJSAIKJCTYHHAW-BQBZGAKWSA-N	244.697	2.004	70	20	BEID	
CCOC(C)(C)CNc1ccc(F)cn1	159508219	BUYRFCBDAYVKLA-UHFFFAOYSA-N	212.268	2.448	70	20	BEID	
CC[C@@H]1CN(C(=O)N2CCCCCC2)CCO1	160361397	AEONBXHQCBCURW-GFCCVEGCSA-N	240.347	2.093	70	20	BEID	
CC(C)C[C@H](C)NC(=O)NCCCF	160730833	MQRIWDQEJOMEBX-VIFPVBQESA-N	204.289	2.080	70	20	BEID	
Cc1cc(NC(=O)c2ccc(F)cc2)c[nH]c1=O	159399124	CUQLDESXZJFKAW-UHFFFAOYSA-N	246.241	2.075	70	20	BEID	
COCCC(=O)N[C@H]1CCCc2sccc21	160188999	GXQLXZAHGGSYKO-JTQLQIEISA-N	239.340	2.278	70	20	BEID	
COc1cccc(CS[C@@H](C)CO)c1	160741211	CEJGTTOMMJURIN-VIFPVBQESA-N	212.314	2.309	70	20	BEID	
C[C@H]1CCC[C@@H](c2noc([C@H](C)N)n2)C1	161002913	JASYVVQIGGCVKD-XHNCKOQMSA-N	209.293	2.383	70	20	BEID	
C[C@@H](NC(=O)CCN)c1ccc(F)cc1Cl	161150196	GYYILUWXJUSLTB-SSDOTTSWSA-N	244.697	2.005	70	20	BEID	
Cc1cc(CN[C@H](C)c2cscn2)no1	161167271	HBOPEOVWAIICAQ-MRVPVSSYSA-N	223.301	2.290	70	20	BEID	
CCc1ncnc(NCc2ccc(O)cc2)c1F	217964698	BGAAPTRHUHJQNQ-UHFFFAOYSA-N	247.273	2.496	70	20	BEID	
O=S(=O)(Cl)Cc1ccc2ncccc2c1	59128410	CZTLBFHHHAUVMV-UHFFFAOYSA-N	241.699	2.303	70	20	BEID	
C[C@@H]1CC[C@H](S(=O)(=O)Cl)[C@H](C)C1	113260890	XCTIARNRCCQAQE-PRJMDXOYSA-N	210.726	2.380	70	20	BEID	
CCC(C)(CC)C(=O)N(C)C[C@H](O)C1CC1	159442928	LTKCURAOIKTINU-NSHDSACASA-N	227.348	2.042	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCCn1ccnc1	159845724	PJSZLUDCZVHAMS-OLZOCXBDSA-N	249.358	2.358	70	20	BEID	
CC1(Nc2ccc3nccnc3n2)CCC1	159973254	DCFMOPUHZYTIEP-UHFFFAOYSA-N	214.272	2.379	70	20	BEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCOC1	161173497	NAMGMDRZNUWUJV-JHJVBQTASA-N	239.359	2.450	70	20	BEID	
CC(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161247307	KPIJTFDMTPBHFV-JTQLQIEISA-N	239.702	2.340	70	20	BEID	
CCCC[C@@H](S[C@@H](C)CCO)C(=O)OC	160692009	QTFITKWKLLFRAB-VHSXEESVSA-N	234.361	2.222	70	20	BEID	
CC(C)(C)C[C@H](CO)Nc1cncc(Cl)n1	161408227	VQDIGWZMYPSXTN-MRVPVSSYSA-N	243.738	2.339	70	20	BEID	
O=C(NCCCc1ccccc1)[C@H]1CCCCO1	159561018	WHDMNSWSBXDGIV-CQSZACIVSA-N	247.338	2.305	70	20	BEID	
O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CCCCO1	160340853	IJQWHSYLYPBYOD-KGLIPLIRSA-N	245.322	2.359	70	20	BEID	
CC(C)C(=O)N1CC=C(C(F)(F)F)CC1	160579486	HAMUNPNXUNTFBH-UHFFFAOYSA-N	221.222	2.363	70	20	BEID	
CCC[C@H]1CCCN(c2cnccn2)C1	160604984	HFZQPSJOSYTIFM-NSHDSACASA-N	205.305	2.493	70	20	BEID	
C[C@@H](CO)SCc1cccc(Cl)n1	160787441	IIGWXVRSHACVKQ-ZETCQYMHSA-N	217.721	2.349	70	20	BEID	
O=C(NCC1(C2CC2)CC1)Nc1cccnc1	160817288	JDFRRUUIEIHUTE-UHFFFAOYSA-N	231.299	2.393	70	20	BEID	
C[C@@H]1CCC[C@@H]1NC(=O)NC1(C)CCC1	160856893	QHDMDFWAFOISEF-ZJUUUORDSA-N	210.321	2.417	70	20	BEID	
COc1ncccc1CNc1ccnc(C)c1	160917016	WKWZEDRIARGWLO-UHFFFAOYSA-N	229.283	2.406	70	20	BEID	
Cc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)s1	161419734	BRKJBLPAFQKTBV-UWVGGRQHSA-N	238.356	2.056	70	20	BEID	
CC1=CCN(Cc2cccc(N)c2)CC1	160046372	NJYMPCURKDJZCM-UHFFFAOYSA-N	202.301	2.421	70	20	BEID	
Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)ncn1	160279823	DVFIESKFSDEKMP-RYUDHWBXSA-N	233.315	2.155	70	20	BEID	
C(=C/c1ccccc1)\CN1C[C@@H]2CC[C@H](C1)N2	217599998	JIMPYGJQOHUFNY-ORBRRYQHSA-N	228.339	2.136	70	20	BEID	
COCC(=O)O[C@@H](C)c1cc(C)ccc1OC	160151804	YKZUZYQITHAVDS-JTQLQIEISA-N	238.283	2.254	70	20	BEID	
CN(CCCN1CCCCC1)[C@@H]1CCSC1	161457536	UDTGFQBGAXJUND-CYBMUJFWSA-N	242.432	2.300	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1cccnc1	160713221	INWWXTNPXLZPTJ-JQWIXIFHSA-N	204.273	2.456	70	20	BEID	
FC(F)(F)COCCn1cnc2c1CCCC2	160727327	LQWBISBDOQRTCQ-UHFFFAOYSA-N	248.248	2.341	70	20	BEID	
C[C@H]1C[C@@H](C)N(C(=O)c2cccc(F)n2)C1	160736265	MXIXIJWAUHPYRZ-DTWKUNHWSA-N	222.263	2.091	70	20	BEID	
CC[C@@H]1CCCCN1CCCCS(C)(=O)=O	161076553	VDVKMCIOSIAFPS-GFCCVEGCSA-N	247.404	2.076	70	20	BEID	
O=S(=O)(Cl)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	251591570	ZJDZMVUOIBKMGH-SQQIUAQRSA-N	234.748	2.380	70	20	BEID	
CSC[C@@H](CCO)N[C@H](C)C1CCCC1	160380303	BAUFFKRCFNWUDY-ZYHUDNBSSA-N	231.405	2.269	70	20	BEID	
CC[C@@H](C)c1cc(C(=O)Nc2cn[nH]c2)on1	160401784	MUYIZBLBEGDRRG-SSDOTTSWSA-N	234.259	2.164	70	20	BEID	
CC(C)NC(=O)CN[C@H]1c2ccccc2C[C@H]1C	160937485	JILVBKKDPVNSRR-IAQYHMDHSA-N	246.354	2.034	70	20	BEID	
Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)ncn1	159986219	WFRRXSANFYOMJX-PWSUYJOCSA-N	247.342	2.341	70	20	BEID	
CCN(C(=O)c1cccnc1O)C1CCCC1	160368524	QMPPFGMASPSHMS-UHFFFAOYSA-N	234.299	2.192	70	20	BEID	
O=C(OCC1CC1)c1cc(F)cnc1Cl	218159081	VQKMLFCIJWCITN-UHFFFAOYSA-N	229.638	2.441	70	20	BEID	
CCc1nn(C)c(CC)c1CN1CCCC1	159663638	BVXNFSDSEMMRBC-UHFFFAOYSA-N	221.348	2.141	70	20	BEID	
CC(C)C[C@H](N)C(=O)NCCCC(C)(C)C	160540283	KBZVDDZMUZMSJB-NSHDSACASA-N	228.380	2.302	70	20	BEID	
C[C@H](CCO)Nc1nc(C(F)(F)F)cs1	160656716	KMZHDFWNPYRIIH-RXMQYKEDSA-N	240.250	2.345	70	20	BEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)COC	160770533	XCJNNOCOPXOZHJ-GHMZBOCLSA-N	213.321	2.060	70	20	BEID	
CCO[C@@H]1CCCN(C(=O)C[C@@H](C)SC)C1	161097770	LKGIXIHWXDMVPT-GHMZBOCLSA-N	245.388	2.156	70	20	BEID	
CCC[C@H]1C[C@@H]1NC(=O)Nc1cnc(CC)nc1	161148752	LJVHKUIMZWGWGY-ONGXEEELSA-N	248.330	2.349	70	20	BEID	
COC(C)(C)CN[C@H](C)c1cscn1	161226565	AXFFOUHWDSWLCG-MRVPVSSYSA-N	214.334	2.219	70	20	BEID	
CCCNCCNCc1sccc1Cl	161345425	YANQANSENSIUDS-UHFFFAOYSA-N	232.780	2.491	70	20	BEID	
CC(C)C[C@@H](C)NC(=O)NC[C@@]1(C)CCCO1	160058225	ZFKYMJUCHFPWRY-DGCLKSJQSA-N	242.363	2.289	70	20	BEID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1cnccn1	161063638	QQDSBLFLJQPERH-AVGNSLFASA-N	248.374	2.000	70	20	BEID	
C[C@H]1CN(Cc2cccc(O)c2)[C@@H](C)CO1	217780847	HGKWGCFBWIVYFL-QWRGUYRKSA-N	221.300	2.001	70	20	BEID	
CCC(CC)[C@@H](F)CS(=O)(=O)Cl	1537958568	CNGYGTJTSFUCRK-ZETCQYMHSA-N	216.705	2.329	70	20	BEID	
CC1=C(C)C[C@H](S(=O)(=O)Cl)CC1	97972414	XPALHSKSKCJRBO-MRVPVSSYSA-N	208.710	2.444	70	20	BEID	
C[C@H](c1cccc(C#N)c1)S(=O)(=O)Cl	88251074	HDRFKHINRVVAEK-SSDOTTSWSA-N	229.688	2.188	70	20	BEID	
C[C@H]1CCC[C@H](C)C1S(=O)(=O)Cl	88251648	XYQZHSYYMNCZQP-BQBZGAKWSA-N	210.726	2.380	70	20	BEID	
COC(=O)c1ccc(CSC)s1	159722553	SAOLSZARQKFUOV-UHFFFAOYSA-N	202.300	2.398	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccnc1	160712960	INWWXTNPXLZPTJ-PWSUYJOCSA-N	204.273	2.456	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccccc1C	160738616	WTMNKKJIHYZYIC-LLVKDONJSA-N	249.310	2.067	70	20	BEID	
Cc1nc(Cn2cnc(C(C)C)cc2=O)oc1C	160919126	BFUGSUMFROOKGN-UHFFFAOYSA-N	247.298	2.020	70	20	BEID	
CCOCCCNC(=O)Nc1cccc(F)c1	217310612	JMONSWGESLYUKY-UHFFFAOYSA-N	240.278	2.374	70	20	BEID	
CCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675839	ACAWSNWGUJSTSK-UHFFFAOYSA-N	245.275	2.002	70	20	BEID	
COCC(C)(C)C(=O)NCc1ccccc1C	159517328	UGPHNCSWEZEYLK-UHFFFAOYSA-N	235.327	2.284	70	20	BEID	
O=C(C=C1CCC1)NC[C@@H](O)c1ccsc1	159519192	XNDZULLDTDESBA-LLVKDONJSA-N	237.324	2.008	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnn(C)c1C	159613772	IGAXPQHKGMTSRC-JQWIXIFHSA-N	235.331	2.037	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnn(C)c1C	159614052	IGAXPQHKGMTSRC-CMPLNLGQSA-N	235.331	2.037	70	20	BEID	
CNC[C@H](C)C(=O)Nc1ncc(C(C)C)s1	160894693	LQTOFOSCELANPP-QMMMGPOBSA-N	241.360	2.061	70	20	BEID	
Cc1noc(CSCc2cscn2)n1	161341937	UCMQACXNILAJQL-UHFFFAOYSA-N	227.314	2.268	70	20	BEID	
CCOC(=O)c1ccc(OCC2CC2)nc1	218199996	XTAMHKDBOBZQCO-UHFFFAOYSA-N	221.256	2.047	70	20	BEID	
Oc1cc(F)cc(CNCC2CCC2)c1	159589656	SWMMXTFTNYUMTB-UHFFFAOYSA-N	209.264	2.421	70	20	BEID	
Cc1nc2ccccn2c1CN(C)CC(F)F	159781172	PVSILSPHNDPWBT-UHFFFAOYSA-N	239.269	2.340	70	20	BEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)C1CC1	159940650	SUBDMTLNWUWCJX-NSHDSACASA-N	223.316	2.004	70	20	BEID	
CCCC(C)(C)NCc1cn(C)nc1C	160145153	KHCGKAYVJPOCSP-UHFFFAOYSA-N	209.337	2.397	70	20	BEID	
Cc1ccccc1[C@H](C)CC(=O)N(C)[C@@H](C)CO	160451528	SINMUQCRCGZMQB-OLZOCXBDSA-N	249.354	2.328	70	20	BEID	
O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCCO1	160918892	FFHNSFKHAKTNDC-GFCCVEGCSA-N	245.282	2.071	70	20	BEID	
C[C@@H]1COCCN1Cc1csc(C2CC2)n1	161386224	GSSRDDNVUCXOBY-SECBINFHSA-N	238.356	2.241	70	20	BEID	
CCSCc1cccc(NC(=O)[C@@H](C)N)c1	161480389	VAQKPDJTHUTYDE-SECBINFHSA-N	238.356	2.225	70	20	BEID	
CCOC(Cn1cnc2c1CCCC2)OCC	216887371	ROBLGSBDHAACJV-UHFFFAOYSA-N	238.331	2.161	70	20	BEID	
CN(CCC1CC1)C(=O)Nc1ccc(F)nc1	160549498	HAKGHFKEESYRFW-UHFFFAOYSA-N	237.278	2.485	70	20	BEID	
C[C@@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C	161283942	DNBGBQMVPCFCBZ-BDAKNGLRSA-N	225.361	2.203	70	20	BEID	
CC/C(=C/C(=O)NOC)c1ccc(C)cc1	159856978	VVXOJSCFAZISNM-LUAWRHEFSA-N	219.284	2.466	70	20	BEID	
CC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160458303	LPYADHMMDOMEDZ-QMMMGPOBSA-N	219.162	2.248	70	20	BEID	
CCOCCC1(C(=O)N[C@H](C)CC)CCC1	160551386	INQQIFXABRIZGZ-LLVKDONJSA-N	227.348	2.498	70	20	BEID	
COc1cc(C)nc(CS[C@@H](C)CO)c1	160997644	CVHSMOCNQRVZMA-VIFPVBQESA-N	227.329	2.013	70	20	BEID	
Nc1cc(Cl)c(S(=O)(=O)F)cc1Cl	59122615	ROQLZHMPKLDLQN-UHFFFAOYSA-N	244.074	2.234	70	20	BEID	
CCOCCC1(CNC(=O)CC)CCC1	160305957	UHDOERSRGQCQEC-UHFFFAOYSA-N	213.321	2.110	70	20	BEID	
Cc1ccccc1[C@H](C)CC(=O)N(C)[C@H](C)CO	160451792	SINMUQCRCGZMQB-CHWSQXEVSA-N	249.354	2.328	70	20	BEID	
C[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)C1CC1	160536523	MQUKRCZEIJISQP-VIFPVBQESA-N	247.294	2.424	70	20	BEID	
CCCN(CCC)Cc1nc(O)cc(CC)n1	160764368	JIQZGQCURBECHM-UHFFFAOYSA-N	237.347	2.367	70	20	BEID	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@@H]1C1CC1	161011773	TUUWZYPYVCNVTJ-CHWSQXEVSA-N	232.327	2.030	70	20	BEID	
CS[C@H](C)CC(=O)NCCOCCC(C)C	161400638	WFURDDDIPILREC-LLVKDONJSA-N	247.404	2.307	70	20	BEID	
CN(c1nc(C(C)(C)C)ns1)[C@H]1CCOC1	159376858	VLANEJVDCJGIMI-QMMMGPOBSA-N	241.360	2.061	70	20	BEID	
COc1cccnc1NCc1nccs1	159445112	GAHBHOMOKPWKLZ-UHFFFAOYSA-N	221.285	2.159	70	20	BEID	
c1cncc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159661306	FUKRSAMWHQDBHZ-MCIONIFRSA-N	244.338	2.129	70	20	BEID	
C[C@@](O)(CN[C@@H]1CCSC1)c1ccsc1	159893769	ACDSZGAIAKKONP-GHMZBOCLSA-N	243.397	2.051	70	20	BEID	
CN(C)C[C@@H]1CCN(C(=O)CCC(C)(C)C)C1	160275687	HWCYSUCWSCXNBW-LBPRGKRZSA-N	240.391	2.223	70	20	BEID	
C[C@@H](CCN(C)C)N[C@H](C)c1cscn1	161178455	YBSZRLQZLWKSLI-VHSXEESVSA-N	227.377	2.134	70	20	BEID	
CCC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1	161445652	MBRSIGKDYHQFAM-OLZOCXBDSA-N	238.375	2.167	70	20	BEID	
CCOC(=O)Cn1nc(C)cc1-c1ccccc1	218700416	WAVAEDLKZJKQFQ-UHFFFAOYSA-N	244.294	2.422	70	20	BEID	
CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)Cl	100501547	XFQZDRCVLBYMKO-YUMQZZPRSA-N	227.757	2.369	70	20	BEID	
CN(C(=O)c1cc[nH]c1)c1ccc2c(c1)OCO2	160135069	MDBAUWLVMDUQQS-UHFFFAOYSA-N	244.250	2.020	70	20	BEID	
COc1cccnc1N[C@H](C)[C@H]1CCCO1	160207452	ZOQVHKJTRNFVGK-NXEZZACHSA-N	222.288	2.070	70	20	BEID	
C[C@H](N)CCNC1C2CC3CC(C2)CC1C3	216841178	ILOLNDOSDJIRSM-FTPDJBBVSA-N	222.376	2.138	70	20	BEID	
CC(C)c1noc(S(=O)(=O)Cl)c1Cl	521400523	LGGQNDIGBFWDNJ-UHFFFAOYSA-N	244.099	2.379	70	20	BEID	
C[C@@H](c1cccc(F)c1)N(C)C[C@@H](C)O	159366007	MYBSREXHRILFPA-ZJUUUORDSA-N	211.280	2.199	70	20	BEID	
Cc1cc(NC(=O)c2cccc(F)c2)c[nH]c1=O	159590336	SGTMMMRJQOWFLX-UHFFFAOYSA-N	246.241	2.075	70	20	BEID	
CCCSCC(=O)NCC1(C2CC2)CC1	159930593	PJVYISDBZONFQI-UHFFFAOYSA-N	227.373	2.436	70	20	BEID	
CCCN(Cc1ccccc1)Cc1cnnn1C	160474981	WUVPICWTWLJCNH-UHFFFAOYSA-N	244.342	2.227	70	20	BEID	
CCC[C@H](O)CNC(=O)C(C)(CC)CC	159439612	PVNFJTUOHRMKRM-JTQLQIEISA-N	215.337	2.090	70	20	BEID	
Cc1ccc(C(=O)NCC2(N)CCCCC2)cc1	159593357	ROKHDPIPZFELDH-UHFFFAOYSA-N	246.354	2.386	70	20	BEID	
CCn1ccnc1CN[C@@H](C)C1CCC1	160175868	CVPNYKYBXKOPIE-JTQLQIEISA-N	207.321	2.181	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)C[C@H]1CC[C@H](C)C1	161154561	XCWXOCQRWOXING-AVGNSLFASA-N	241.375	2.336	70	20	BEID	
COC[C@H](N[C@@H](C)c1cscn1)C(C)C	161211337	HXKMGMQGRVZSBW-UWVGGRQHSA-N	228.361	2.465	70	20	BEID	
CC(C)[C@@H](C)N(C)C(=O)c1ccncc1F	161387572	PXUUDTVGTWNZMF-SECBINFHSA-N	224.279	2.337	70	20	BEID	
CC[C@@H]1CCCN1C(=O)c1ccncc1F	161429799	YTUGLBRPGBKDHJ-SECBINFHSA-N	222.263	2.235	70	20	BEID	
CCOC(=O)CN(C)[C@H]1CCC[C@@H](C)C1	218486057	BTNBSYWLUHFFTI-MNOVXSKESA-N	213.321	2.060	70	20	BEID	
CC[C@@H](Oc1ccc(OC(C)C)cc1)C(N)=O	159437123	HJSGFXCESHGJTL-GFCCVEGCSA-N	237.299	2.117	70	20	BEID	
CCCCC(=O)N(C)[C@@H](CO)Cc1ccccc1	216911285	QKHQEZBRVQJVKM-CQSZACIVSA-N	249.354	2.239	70	20	BEID	
c1coc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159522051	SVNSCYHANHXNSE-UPJWGTAASA-N	233.311	2.327	70	20	BEID	
CC(C)N(CCNC(=O)C1(C)CC1)C(C)C	159627421	VIAFXUCBCQKRIV-UHFFFAOYSA-N	226.364	2.022	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccco1	159798697	AIKCMJXBQYIAQP-AAEUAGOBSA-N	221.300	2.375	70	20	BEID	
Cc1nc(C(C)C)sc1[C@@H](C)NCCO	159683088	JQNIUQGUJLNZQK-MRVPVSSYSA-N	228.361	2.218	70	20	BEID	
O=C(CC1CCC1)NCC1(C2CC2)CC1	160126226	SDZWTSMEJULLTA-UHFFFAOYSA-N	207.317	2.483	70	20	BEID	
CC(C)(C)CCCC(=O)N1CCC[C@@H]1CN	160390930	CEQJBHOXTSQDKD-LLVKDONJSA-N	226.364	2.153	70	20	BEID	
CCN(Cc1ccccn1)[C@H](C)c1nnc(C)o1	161203050	PJOXIGFBYBEVQL-SNVBAGLBSA-N	246.314	2.356	70	20	BEID	
C[C@@H]1CCC[C@H](C(=O)N(C)Cc2cnn(C)c2)C1	160251605	RAZKTZGGWSDYLI-YPMHNXCESA-N	249.358	2.205	70	20	BEID	
CC[C@@H](COC)N[C@@H](C)c1cscn1	161206514	GBOSCALCVYZZHM-IUCAKERBSA-N	214.334	2.219	70	20	BEID	
CCC[C@@H](C)SCCN1CCOCC1	159771188	HWGFNDZQQRGBKK-LLVKDONJSA-N	217.378	2.240	70	20	BEID	
CN(C)C[C@H]1CCN(C(=O)CCC(C)(C)C)C1	160275563	HWCYSUCWSCXNBW-GFCCVEGCSA-N	240.391	2.223	70	20	BEID	
CCc1csc(N2CCC[C@](C)(O)C2)n1	160843396	VLMBSTIZOOHVRV-NSHDSACASA-N	226.345	2.057	70	20	BEID	
CSCC[C@H](C)N(C)Cc1cnc(N)s1	161289467	BBSRFUBHQVZVSA-QMMMGPOBSA-N	245.417	2.299	70	20	BEID	
CCCN(Cc1ccc(CO)o1)C(C)C	161320904	SMUAFGAHMNOMAO-UHFFFAOYSA-N	211.305	2.392	70	20	BEID	
CC(C)C(C)(C)CNC(=S)NC1CC1	218745605	OGCORQGAUFOWOY-UHFFFAOYSA-N	214.378	2.295	70	20	BEID	
CS[C@@H](C)CNC(=O)c1ccc2[nH]cnc2c1	159435981	HJADXISVPUMWJX-QMMMGPOBSA-N	249.339	2.044	70	20	BEID	
Cc1cc(NC(=O)C[C@H]2CC[C@H](C)C2)c[nH]c1=O	159835639	XNCSZMSRDBYVPZ-ONGXEEELSA-N	248.326	2.448	70	20	BEID	
CCCC[C@H](C(=O)OC)N(CC)CC	160797009	LHEPJBJMGVIHSH-SNVBAGLBSA-N	201.310	2.060	70	20	BEID	
N[C@@H]1CCC[C@H](NC(=O)CCc2ccccc2)C1	161198432	BGJAMGDICSASRC-KGLIPLIRSA-N	246.354	2.005	70	20	BEID	
CCC(C)(CC)C(=O)N1CCC[C@@H]([C@H](C)O)C1	159436447	SXASGMIVVPWPFG-NWDGAFQWSA-N	241.375	2.432	70	20	BEID	
CC(C)CCn1ccc(NC(=O)NC2CC2)n1	159912993	DGOJIUUSUJDQBJ-UHFFFAOYSA-N	236.319	2.213	70	20	BEID	
CC1=CCN(C(=O)c2ccc(F)nc2)CC1	160172662	PJCNYXYABIHJSQ-UHFFFAOYSA-N	220.247	2.013	70	20	BEID	
COC(CN1C[C@@H](c2ccccc2)C[C@@H]1C)OC	161128900	GIBINJGIGLOFIE-JSGCOSHPSA-N	249.354	2.483	70	20	BEID	
CCCN(CCO)Cc1cccc2[nH]ccc12	161234229	PSWVTAWBTUEUDZ-UHFFFAOYSA-N	232.327	2.372	70	20	BEID	
Cc1ccccc1[C@@H](C)NC(=O)N[C@H]1CCOC1	159391308	YHJWIMFGZVIDEY-NEPJUHHUSA-N	248.326	2.144	70	20	BEID	
C[C@@H](c1ccc(F)cc1F)N(C)C[C@@H](C)O	159565436	IXNAYEJFHBJHHZ-BDAKNGLRSA-N	229.270	2.338	70	20	BEID	
CS[C@H](C)CN[C@H](C)C(=O)OC(C)(C)C	159598739	HBDVHRKBDQVCMM-RKDXNWHRSA-N	233.377	2.058	70	20	BEID	
Cc1csc(-c2nc3c(s2)CNCC3)n1	159645096	OTPLNBHEKSOHFZ-UHFFFAOYSA-N	237.353	2.221	70	20	BEID	
C[C@@H](O)CN(CCOCC1CC1)c1ccccc1	160155903	YUSUZKDDUIPTQW-CYBMUJFWSA-N	249.354	2.300	70	20	BEID	
CC[C@H]1CN(Cc2cnc(N)s2)CCS1	161287347	NDRNUFMTRZLWMY-QMMMGPOBSA-N	243.401	2.053	70	20	BEID	
C[C@@H](CCc1ccccc1)NC(=O)C(F)F	217623454	NENGUTKZZQTQDS-VIFPVBQESA-N	227.254	2.389	70	20	BEID	
C[C@@H]1C[C@@H](C(=O)Oc2ccccc2)CCO1	217691548	MXEUVXJHVWJMPI-MNOVXSKESA-N	220.268	2.407	70	20	BEID	
CO[C@@H]1CCCC[C@H]1N[C@@H](C)[C@@H]1CCCO1	217967948	JSIHGAWPPBUQRZ-QNWHQSFQSA-N	227.348	2.101	70	20	BEID	
CCc1noc(C)c1CS[C@@H](CC)C(N)=O	160066057	RJDVHZNKOXOFGL-JTQLQIEISA-N	242.344	2.043	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)C1(CC)CCC1	160328051	MBSBQPXPEMPMDC-SNVBAGLBSA-N	241.331	2.025	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)CC1CCCC1	160510051	JLOGCICGUNXQIM-SNVBAGLBSA-N	241.331	2.025	70	20	BEID	
Cc1cc(Cn2cnc3c2CCCC3)no1	160720650	SZKVFAMJMRFWGB-UHFFFAOYSA-N	217.272	2.107	70	20	BEID	
CCc1ncnc(N[C@@H](C)[C@H]2CCOC2)c1F	218040909	DDOAHWOCVFIWDC-IUCAKERBSA-N	239.294	2.015	70	20	BEID	
C[C@H](c1ccco1)N(C)CCn1ccnc1	161500324	WNUYPMSACGBIKE-LLVKDONJSA-N	219.288	2.169	70	20	BEID	
C[C@]1(Nc2nc3ccccc3o2)CCOC1	160075715	WIUVOLXHXSMQPD-LBPRGKRZSA-N	218.256	2.419	70	20	BEID	
C[C@@H](N[C@H](CCO)c1ccccc1)[C@@H]1CCOC1	160973373	XXIJCGRCYYMBED-BPLDGKMQSA-N	249.354	2.125	70	20	BEID	
Cc1noc([C@H]2CCN2C(=O)OC(C)(C)C)n1	218765692	BXQDQZSVTQQIEP-MRVPVSSYSA-N	239.275	2.060	70	20	BEID	
CCc1ccc(CC(=O)N2CCSCC2)cc1	160814095	RWFYYBYFQMCWJJ-UHFFFAOYSA-N	249.379	2.367	70	20	BEID	
CSC(C)(C)CN[C@@H]1CCCOCC1	161465380	VHQIENRIEQDUKU-SNVBAGLBSA-N	217.378	2.287	70	20	BEID	
CC(C)N(CCCS(=O)(=O)C(C)C)C1CC1	160752115	KIKPIIMWVIEHOY-UHFFFAOYSA-N	247.404	2.073	70	20	BEID	
O[C@@H]1CCC[C@H]1N1CCc2sccc2C1	217800554	MQTNHUGYXUPCDH-GHMZBOCLSA-N	223.341	2.020	70	20	BEID	
O=S(=O)(Cl)Cc1ccc(F)c(F)c1F	156934157	PQFWJKOHHNPJBZ-UHFFFAOYSA-N	244.621	2.173	70	20	BEID	
Cc1cc(N[C@H]2CCN3CCCC[C@@H]23)nc(C)n1	217362835	XVCYZSTXYMINCH-STQMWFEESA-N	246.358	2.132	70	20	BEID	
COc1ccc(C)cc1NC(=O)C(F)F	217629102	MYKWIDLHIYELDH-UHFFFAOYSA-N	215.199	2.207	70	20	BEID	
C[C@H]1CC(NC(=O)Nc2cccnc2)C[C@H](C)O1	159504112	AMELPXWPXXHLAQ-UWVGGRQHSA-N	249.314	2.159	70	20	BEID	
C[C@@H]1CCN(Cc2cc(O)cc(F)c2)C1	159822356	LVZKDJMRQADJPO-SECBINFHSA-N	209.264	2.373	70	20	BEID	
CC[C@H](NCCN(C)[C@H](C)CC)C1CC1	160143497	IWXHHJDFPZQCJC-YPMHNXCESA-N	212.381	2.495	70	20	BEID	
CNC(=O)[C@@H](Cc1ccccc1)C(C)C	159411100	IKDIVTONCAQLBY-LBPRGKRZSA-N	205.301	2.247	70	20	BEID	
CCc1ncnc(N[C@@H](C)CSC)c1F	159884044	XNRUFOFLPOIFGJ-ZETCQYMHSA-N	229.324	2.342	70	20	BEID	
Cc1cncc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160409270	ZILXMUZACALVKN-RYUDHWBXSA-N	233.315	2.155	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccccn1	160826983	QKECMXWPWXXCPH-TZMCWYRMSA-N	232.327	2.177	70	20	BEID	
O=C(NC1CC=CC1)c1ccc2nccnc2c1	160993891	DTNPWEMKGZSKAX-UHFFFAOYSA-N	239.278	2.078	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnn(C)c1C	159613901	IGAXPQHKGMTSRC-ZYHUDNBSSA-N	235.331	2.037	70	20	BEID	
CCCC1(CNC(=O)CCCCOC)CC1	160763304	MTXDVBOTSFTDLV-UHFFFAOYSA-N	227.348	2.500	70	20	BEID	
CC(C)CCOC(=O)c1ccncc1F	161434085	KPUKPGGJNYKFJC-UHFFFAOYSA-N	211.236	2.424	70	20	BEID	
O=C(CO)Nc1cccc(Oc2ccccc2)c1	217435792	FXNHSZLIZAWYLW-UHFFFAOYSA-N	243.262	2.410	70	20	BEID	
CCOC(=O)C(C)(C)c1csc(COC)n1	159760643	ZERRQJOQQYOXBY-UHFFFAOYSA-N	243.328	2.130	70	20	BEID	
CC(=O)C[C@H](C)NC(=O)c1ccc2c(c1)CCC2	159956830	WOHKXRKALMWUFI-JTQLQIEISA-N	245.322	2.273	70	20	BEID	
Cc1cncc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160409384	ZILXMUZACALVKN-VXGBXAGGSA-N	233.315	2.155	70	20	BEID	
NC[C@H]1CCCN(C/C=C\c2ccccc2)C1	217542614	DZPCSYAGAXXUTP-UFRMUOTOSA-N	230.355	2.371	70	20	BEID	
CC[C@H](CCO)NCc1nc(C)c(C)s1	217844898	QLGJPXZMXOMHNM-SNVBAGLBSA-N	228.361	2.011	70	20	BEID	
C[C@@H]1CC[C@H](S(=O)(=O)Cl)C[C@H]1C	251705183	HWBPUZMKZJECMK-PRJMDXOYSA-N	210.726	2.380	70	20	BEID	
CCc1cccc(C)c1NC(=O)NC1(CO)CC1	159783214	SHZPSDSKAFUKPC-UHFFFAOYSA-N	248.326	2.204	70	20	BEID	
COc1cc(NCc2ccn(C)n2)ccc1F	160284598	CXINQPVHRUDNBZ-UHFFFAOYSA-N	235.262	2.180	70	20	BEID	
COCCCCC(=O)N1[C@@H](C)CC[C@H]1C	161484528	VHOLSHQYGKZYKX-PHIMTYICSA-N	213.321	2.203	70	20	BEID	
CCc1nccn1Cc1ncccc1C	159631983	GQSIABHKIMEJJW-UHFFFAOYSA-N	201.273	2.197	70	20	BEID	
NCCCC(=O)N[C@H]1CCC[C@H]1c1ccccc1	159724637	DCAGXLBTOCKCAA-KBPBESRZSA-N	246.354	2.178	70	20	BEID	
CC[C@@H](C(=O)Nc1cccc(C)c1)C(=O)OC	216850129	XZPLQCWOPKJBNG-NSHDSACASA-N	235.283	2.133	70	20	BEID	
CCOC(C)(C)CNC(=O)c1ccccc1	159784125	UMJDYHJOKSXIBZ-UHFFFAOYSA-N	221.300	2.232	70	20	BEID	
C[C@H]1C[C@H](C)N(C(=O)c2cccc(F)n2)C1	160735998	MXIXIJWAUHPYRZ-IUCAKERBSA-N	222.263	2.091	70	20	BEID	
CCNCCNCc1ccc(F)c(Cl)c1	161311302	OJZISNUMCZNQRK-UHFFFAOYSA-N	230.714	2.178	70	20	BEID	
C[C@@H]1CN(C(=O)N2CCCC2)CC[C@H]1C	160859056	MVRKWBHEGWBGBH-GHMZBOCLSA-N	210.321	2.180	70	20	BEID	
CC(C)[C@H](C)NC(=O)N[C@@H](CCO)C(C)(C)C	161187370	FTVCGNITLYYGJO-QWRGUYRKSA-N	244.379	2.127	70	20	BEID	
O=C(NC1CCCC1)N[C@@H]1C=CCCC1	161429270	PXAXJDYIMOCZKB-SNVBAGLBSA-N	208.305	2.337	70	20	BEID	
Cc1ccc(NC(=O)NC(C)(C)C)nc1	217313533	NWGXXGRDPZMIOC-UHFFFAOYSA-N	207.277	2.310	70	20	BEID	
CC[C@H](O)CN1CCC[C@@H]1c1cccc(C)n1	159780213	HMDFLBMVRGBPQU-GXTWGEPZSA-N	234.343	2.298	70	20	BEID	
Cc1cncc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160409497	ZILXMUZACALVKN-NWDGAFQWSA-N	233.315	2.155	70	20	BEID	
CC(C)CCN1CCN(c2ccncc2)CC1	161285971	XUPYYWVRJTXPFE-UHFFFAOYSA-N	233.359	2.250	70	20	BEID	
C[C@@H]1CC(C)(C)C[C@@H]1S(=O)(=O)Cl	235253934	GPTVHQAIOPCLDX-RQJHMYQMSA-N	210.726	2.380	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C)nn1C	159598035	UAKZUTSGWNDHPZ-GHMZBOCLSA-N	235.331	2.037	70	20	BEID	
CC(C)CONC(=O)Nc1ccsc1	160927616	ZXVMGNUSUHSDKH-UHFFFAOYSA-N	214.290	2.457	70	20	BEID	
COc1cccc(NC(=O)Nc2ncccn2)c1	217273244	ASHUJTADKPLECN-UHFFFAOYSA-N	244.254	2.129	70	20	BEID	
O=S(=O)(Cl)Oc1ccccc1Cl	100634920	VRJAWYNMEVHFCU-UHFFFAOYSA-N	227.068	2.202	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCC1(N)CCCCC1	159590462	ZRLKOKKTBVVSRS-YPMHNXCESA-N	238.375	2.200	70	20	BEID	
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@@H]1C1CC1	159709380	KIMAWKFBTQZCJG-NEPJUHHUSA-N	219.328	2.339	70	20	BEID	
CCc1ncnc(N2CCC[C@H]2C)c1F	160194238	GCHCMRBQRVFIEH-MRVPVSSYSA-N	209.268	2.167	70	20	BEID	
CC(C)C[C@@H]1CCN(C(=O)CCNC(C)C)C1	159610541	MSOZXBWKVPGZBH-ZDUSSCGKSA-N	240.391	2.269	70	20	BEID	
C[C@@H]1CCC[C@H](OCC(=O)NC2CC=CC2)C1	161013706	QGZRUCSBBKMQJU-YPMHNXCESA-N	237.343	2.417	70	20	BEID	
C[C@H](NCC1CCOCC1)c1cscn1	161180487	NMHIWMUCUAZDAS-VIFPVBQESA-N	226.345	2.220	70	20	BEID	
CCN(Cc1ccccn1)[C@@H](C)c1nnc(C)o1	161202907	PJOXIGFBYBEVQL-JTQLQIEISA-N	246.314	2.356	70	20	BEID	
CC(C)(COC(C)(C)C)CS(=O)(=O)Cl	114433403	ABVCJBMMNAXCJL-UHFFFAOYSA-N	242.768	2.396	70	20	BEID	
CCCCOCC(=O)N[C@H]1CCC[C@@H]1CC	159750343	XZKYMTQOJDKJCP-RYUDHWBXSA-N	227.348	2.498	70	20	BEID	
CN(Cc1cnc2ccccn12)CC(F)F	159781041	YRTQFVZWZPOVOR-UHFFFAOYSA-N	225.242	2.031	70	20	BEID	
CCNCCNCc1ccc(CC)s1	161298313	DVBRVNDMRSLQDR-UHFFFAOYSA-N	212.362	2.010	70	20	BEID	
C[C@H](c1ccccc1)N1CCC2(C1)OCCO2	160623484	AWIQMARNBNWTFL-GFCCVEGCSA-N	233.311	2.196	70	20	BEID	
CCC[C@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	161337223	LMTYCKCBLLMSIR-VHSXEESVSA-N	237.347	2.202	70	20	BEID	
O=S(=O)(Cl)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	251591558	ZJDZMVUOIBKMGH-FHNUBNKASA-N	234.748	2.380	70	20	BEID	
Cc1ccc(NC(=O)C2(C)CC2)c(O)c1	160399481	BDWNCKMHRHJZLI-UHFFFAOYSA-N	205.257	2.439	70	20	BEID	
CCC(N)(CC)CNC(=O)CCC1CCC1	160523567	YTOSIKSAGCQBEV-UHFFFAOYSA-N	226.364	2.200	70	20	BEID	
COCCC[C@H](C)C(=O)Nc1cccc(F)n1	160529406	GXGIOAUKXZSYQM-VIFPVBQESA-N	240.278	2.222	70	20	BEID	
Cc1ccnc(N[C@@H]2CCOC(C)(C)C2)n1	160619154	WNYSJICBUZVMQN-SNVBAGLBSA-N	221.304	2.155	70	20	BEID	
CO[C@H]1CCC[C@H](C(=O)OC(C)C)C1	216938194	PJRSEMMNZMZDHB-UWVGGRQHSA-N	200.278	2.143	70	20	BEID	
Cc1nc(CN(C)Cc2cccnc2)cs1	159618079	OVEQDHSKYXRMOC-UHFFFAOYSA-N	233.340	2.479	70	20	BEID	
CCc1noc(C)c1CSCCOC	159693029	DZTSDDBWEDQLEZ-UHFFFAOYSA-N	215.318	2.425	70	20	BEID	
CCN(CCc1ccccc1)Cc1nccn1C	160799529	BCFIRTMMBBNCPU-UHFFFAOYSA-N	243.354	2.485	70	20	BEID	
CC(C)(C)NCCNCCc1cccs1	161441422	NRWHUKXWLULGEX-UHFFFAOYSA-N	226.389	2.268	70	20	BEID	
C[C@@H]1CC[C@@H](C)[C@@H](S(=O)(=O)Cl)C1	222386881	ILHLYXWWEDBIHU-PRJMDXOYSA-N	210.726	2.380	70	20	BEID	
CC[C@@H](NC(=O)c1ccon1)c1c(C)noc1C	160133375	CYJBYWZHBUYFCS-SECBINFHSA-N	249.270	2.161	70	20	BEID	
CC[C@@H](C(=O)Nc1cccc2[nH]ccc12)N(C)C	160270082	YROOMSFNQIVOJJ-ZDUSSCGKSA-N	245.326	2.447	70	20	BEID	
CN(C(=O)c1ccoc1)c1ccc2c(c1)OCO2	160495872	OSSSGGPMHSGGEA-UHFFFAOYSA-N	245.234	2.285	70	20	BEID	
C[Si](C)(C)c1cccc(S(=O)(=O)Cl)c1	199107672	XNDPMSNNUVDVLH-UHFFFAOYSA-N	248.807	2.159	70	20	BEID	
Cc1ccc(Cl)c(O)c1S(=O)(=O)Cl	217085164	QITXPBXOFNVTOP-UHFFFAOYSA-N	241.095	2.282	70	20	BEID	
C[C@H](C[C@H]1CCCO1)NC(=O)NC1(C)CCC1	160526677	BXUQIYZPJDRCJU-GHMZBOCLSA-N	240.347	2.186	70	20	BEID	
O=C(N[C@H]1CCCc2occc21)[C@@H]1CCCCO1	161464142	SBKXTSCVLFULHF-AAEUAGOBSA-N	249.310	2.342	70	20	BEID	
Cc1cc(NC(=O)C[C@H]2CC[C@@H](C)C2)c[nH]c1=O	159835919	XNCSZMSRDBYVPZ-KOLCDFICSA-N	248.326	2.448	70	20	BEID	
CCCCCOCC(=O)Nc1cccc(F)n1	160740484	SFMYQXBQGAWQRW-UHFFFAOYSA-N	240.278	2.366	70	20	BEID	
COc1ccccc1SCc1nncn1C	161038716	LJHQTEKZWCMLBL-UHFFFAOYSA-N	235.312	2.116	70	20	BEID	
O=C(NCCC1=CCCCC1)C(F)F	218198718	XEWSTJRPUUJPJK-UHFFFAOYSA-N	203.232	2.258	70	20	BEID	
O=C(NCCSc1ccccc1)C(F)F	218688717	XNUDBZASZTZMRN-UHFFFAOYSA-N	231.267	2.160	70	20	BEID	
CCC(C)(C)C(=O)NCCCC(C)(C)CO	160353753	RPFOFLYZRUPNPU-UHFFFAOYSA-N	229.364	2.338	70	20	BEID	
CCc1ncnc(NC[C@H]2CCCCO2)c1F	217990727	KBEDKGORNMDHKJ-SECBINFHSA-N	239.294	2.159	70	20	BEID	
CC(C)(C)CC(C)(C)NC(=O)N[C@@H]1CCOC1	159464227	DSCJNPOIRNNTHO-SNVBAGLBSA-N	242.363	2.289	70	20	BEID	
CCCCCC(=O)NCC1(N)CCCCC1	159553977	FBRZAZHVSZWYJL-UHFFFAOYSA-N	226.364	2.345	70	20	BEID	
Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)ncn1	160279703	DVFIESKFSDEKMP-NEPJUHHUSA-N	233.315	2.155	70	20	BEID	
CCc1ncnc(N2CCc3cnccc32)c1F	160371103	QSOVIOAQDDNKJX-UHFFFAOYSA-N	244.273	2.267	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnn(CC)c1	159750983	XZLOGDALHNDDBN-ZYHUDNBSSA-N	235.331	2.212	70	20	BEID	
C[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C)(C)C1	160341142	MGBLCKIVFKGPLA-MNOVXSKESA-N	225.332	2.060	70	20	BEID	
CCC1(CC)CCN(S(=O)(=O)Cl)CC1	108992567	FRUTWTLCIZKKMM-UHFFFAOYSA-N	239.768	2.372	70	20	BEID	
COCC(=O)N[C@H](C)C1CCCCCC1	160673181	ZAAQXYWEXPLKPD-SNVBAGLBSA-N	213.321	2.108	70	20	BEID	
Cc1c(C(=O)NC2CC=CC2)cnn1C(C)(C)C	160817667	OYTHVFZTMUWWCQ-UHFFFAOYSA-N	247.342	2.395	70	20	BEID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCCN1	159770727	FTMRKTMBMLTEND-RYUDHWBXSA-N	240.391	2.460	70	20	BEID	
Cc1nc(Cn2cnc3c2CCCC3)oc1C	160726591	YXLRLSMAHQDYJD-UHFFFAOYSA-N	231.299	2.415	70	20	BEID	
Cc1cscc1C(=O)N[C@H]1CCC[C@H](N)C1	161269915	RUWFHRLLLLQRQQ-UWVGGRQHSA-N	238.356	2.056	70	20	BEID	
CS[C@@H](C)CNc1nc(C)ns1	161424205	UEYVGWURQHGZKN-YFKPBYRVSA-N	203.336	2.010	70	20	BEID	
Cc1ncc(CS[C@H](C)CO)s1	160743003	JGUIBOHBVRFSMI-ZCFIWIBFSA-N	203.332	2.066	70	20	BEID	
CCn1ccnc1CN(C)[C@@H](C)C1CC1	160854297	CVVLKOMFDHNEPM-JTQLQIEISA-N	207.321	2.133	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)NCC(F)(F)F	160897987	DLUTYDQRRISANV-POYBYMJQSA-N	209.211	2.101	70	20	BEID	
COC[C@@H](NC(=O)N[C@@H](C)CC(C)C)C1CC1	160937398	BZGJXQNOUSEBFC-CMPLNLGQSA-N	242.363	2.145	70	20	BEID	
CC[C@@H](CCO)NC(=O)c1sccc1Cl	218184493	IRUYDUGBWXALGP-ZETCQYMHSA-N	247.747	2.292	70	20	BEID	
O=S(=O)(F)CCc1cccc(Cl)c1	238853760	KSMPIJQAJWAJIK-UHFFFAOYSA-N	222.668	2.182	70	20	BEID	
O=S(=O)(F)Oc1ccc(F)cc1Cl	1887579227	UFZAIYASXJSKPP-UHFFFAOYSA-N	228.603	2.072	70	20	BEID	
CCC(CC)CC(=O)N[C@H]1CCC[C@H](N)C1	161448643	IURRWQHZRVLHMT-RYUDHWBXSA-N	226.364	2.199	70	20	BEID	
c1nc2c(c(N[C@H]3CCSC3)n1)CCCC2	217809284	FRHLYVVYJXYPGH-VIFPVBQESA-N	235.356	2.273	70	20	BEID	
CCCC[C@@H](CC)CC(=O)NCC(C)(C)N	160006068	QQDNCYOWQWRPLW-LLVKDONJSA-N	228.380	2.446	70	20	BEID	
Cc1ccccc1CN(C)Cc1csnn1	160526738	GASLWDQHVHEQRU-UHFFFAOYSA-N	233.340	2.479	70	20	BEID	
Cc1nc(Cn2cnc(C(C)C)cc2=O)cs1	160790041	UQPVVZKKESGIFX-UHFFFAOYSA-N	249.339	2.180	70	20	BEID	
CC(C)(C)[C@@H]1CCN(C(=O)c2ncccc2O)C1	160191547	LQQRRFZRDWGNDR-SNVBAGLBSA-N	248.326	2.295	70	20	BEID	
c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)nc1	160410288	QLPXFSRXOQBGSU-RYUDHWBXSA-N	218.300	2.451	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)C[C@H]1CC[C@@H](C)C1	161154426	XCWXOCQRWOXING-AGIUHOORSA-N	241.375	2.336	70	20	BEID	
CC[C@H](CSC)NCC1(O)CCCC1	217329804	OJMWJPNYPNNKIX-SNVBAGLBSA-N	217.378	2.023	70	20	BEID	
Cc1noc(C)c1CNC(=O)NC1(C)CCC1	160009534	BRLFKCFSCCUQKK-UHFFFAOYSA-N	237.303	2.033	70	20	BEID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)C1CCCC1)CC2	160535830	QWJNMKXZFDEWMH-GWCFXTLKSA-N	248.374	2.070	70	20	BEID	
CN(C)Cc1ccnc(NC(=O)[C@@H]2CC2(C)C)c1	160874236	BWHLECOMMBRYIL-NSHDSACASA-N	247.342	2.128	70	20	BEID	
CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F	159409779	VRNWEXFNAUEDNE-RKDXNWHRSA-N	241.237	2.138	70	20	BEID	
CN(CCc1ccccc1)CCn1ccnc1	161421056	ZQQWEBPVSNEXGG-UHFFFAOYSA-N	229.327	2.058	70	20	BEID	
CC(C)CNC(=S)N1CC[C@@H](C)[C@@H](C)C1	160867465	RBMBNEHKHIJFQS-MNOVXSKESA-N	228.405	2.495	70	20	BEID	
CCCNC(=S)N[C@@H](C)CC(C)C	159572788	PIOFYZILQOPJFC-VIFPVBQESA-N	202.367	2.295	70	20	BEID	
CCN(CCn1ccnc1)C1CCCC1	159750945	RNOXKMGIEGXYGJ-UHFFFAOYSA-N	207.321	2.148	70	20	BEID	
C[C@]1(Nc2ncnc3ccsc23)CCOC1	160078509	GQAJGNNAHGICOT-NSHDSACASA-N	235.312	2.282	70	20	BEID	
NC[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1	217594372	FUJWUMLXLMECTG-CMUBDUJZSA-N	244.338	2.040	70	20	BEID	
CCCNC(=O)C1(CCOCC)CCC1	160652037	NFAQAAJXOYXKQJ-UHFFFAOYSA-N	213.321	2.110	70	20	BEID	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCCN	160907712	WJDKTSQJFJUBQJ-JSGCOSHPSA-N	246.354	2.130	70	20	BEID	
O=S(=O)(Cl)[C@@H]1C=CCCCCC1	307977632	KCMRPQGMBORELC-MRVPVSSYSA-N	208.710	2.444	70	20	BEID	
CC(C)(C)CC(C)(C)NC(=O)N[C@H]1CCOC1	159464351	DSCJNPOIRNNTHO-JTQLQIEISA-N	242.363	2.289	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)CCOC(C)C	159601805	YUANXJSFELECOF-VXGBXAGGSA-N	227.348	2.496	70	20	BEID	
CCC(CC)(CC)NC(=O)[C@@H](C)OC	160656032	YOQLFPXQSXXZIX-SECBINFHSA-N	201.310	2.106	70	20	BEID	
CCO[C@@H](C)C(=O)NCCCSCC(C)C	160751100	VSODTZIDSUPKDW-NSHDSACASA-N	247.404	2.307	70	20	BEID	
C[C@@H]1CCCN1Cc1cnc2ccccn12	160891815	GIJZDODSLPCNJY-LLVKDONJSA-N	215.300	2.319	70	20	BEID	
C[C@H]1CC[C@@H](C)N1C(=O)[C@@H](C)OCC1CC1	161482965	CMWXXPQYDHQPNX-OUAUKWLOSA-N	225.332	2.201	70	20	BEID	
COc1ccc2c(S(=O)(=O)Cl)c[nH]c2c1	106958779	ZVCUQAMEODBQFG-UHFFFAOYSA-N	245.687	2.104	70	20	BEID	
Cc1cc(C)c(C(=O)NCC2(N)CCCCC2)[nH]1	159646073	ZHQOBRZESNDASU-UHFFFAOYSA-N	249.358	2.023	70	20	BEID	
COc1cccnc1NC[C@H]1CCCCO1	160220921	IBPIJZGAZWFIPE-SNVBAGLBSA-N	222.288	2.071	70	20	BEID	
CC[C@H](CC(=O)N(C)[C@@H](C)CO)c1ccccc1	160450005	RNJISYKGJXTUHP-QWHCGFSZSA-N	249.354	2.410	70	20	BEID	
CC(C)[C@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1	160893760	KYDXVOMPPKTLMN-DYEKYZERSA-N	248.370	2.278	70	20	BEID	
O=C(NCCCCc1ccccc1)NC1CC1	217304167	JUZZJVVTCNHBCI-UHFFFAOYSA-N	232.327	2.471	70	20	BEID	
C[C@@H]1CCC[C@@H](OCCS(=O)(=O)Cl)C1	112356663	IBMBGEOCXQGXSH-RKDXNWHRSA-N	240.752	2.150	70	20	BEID	
CC(C)CCCNC(=O)N1CCO[C@H](C)[C@H]1C	159615173	ABZCMOWMLLNUHA-VXGBXAGGSA-N	242.363	2.241	70	20	BEID	
Cn1cccc1CN[C@H]1[C@H]2CCO[C@@H]2C12CCC2	159641622	HSKFYXDNTJFDAP-RDBSUJKOSA-N	246.354	2.072	70	20	BEID	
COc1cccnc1NCCc1ccco1	160213181	BGSBVAHGVPJMMX-UHFFFAOYSA-N	218.256	2.338	70	20	BEID	
COc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cn1	218747764	QQYUUDBSNVQEFT-RYUDHWBXSA-N	244.294	2.023	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccc(C)c1	160477840	GRIULAMFDGYARQ-LLVKDONJSA-N	249.310	2.067	70	20	BEID	
Cc1cc(NCCCc2cn[nH]c2C)ccn1	160916532	XLRTUBSNTCSOLH-UHFFFAOYSA-N	230.315	2.466	70	20	BEID	
O=S(=O)(Cl)C[C@H]1CCOc2ccccc21	97971562	CUJKEOZAJINFRT-MRVPVSSYSA-N	246.715	2.121	70	20	BEID	
CC(C)CNC(=S)N1CC[C@H](C)[C@@H](C)C1	160867585	RBMBNEHKHIJFQS-QWRGUYRKSA-N	228.405	2.495	70	20	BEID	
C[C@@H]1CN(C(=O)NCC(F)(F)F)CC[C@H]1C	160046959	LEAJGPZEEHYJPW-HTQZYQBOSA-N	238.253	2.236	70	20	BEID	
CCC[C@H](C(=O)NC[C@@H](C)CCO)C(C)C	160055034	MCYAJWYGXVYXIP-RYUDHWBXSA-N	229.364	2.193	70	20	BEID	
CN(CC(F)(F)F)C(=O)NCC(C)(C)C	216680665	ZSTUFAHDIHORCF-UHFFFAOYSA-N	226.242	2.236	70	20	BEID	
CC[C@@H](C)[C@@H](C)NC(=O)c1ccncc1F	161400468	CFZJRIWVMKHBQR-RKDXNWHRSA-N	224.279	2.385	70	20	BEID	
CC[C@H](CC(=O)N(C)[C@H](C)CO)c1ccccc1	160450276	RNJISYKGJXTUHP-CHWSQXEVSA-N	249.354	2.410	70	20	BEID	
C[C@@H](c1ccccc1)N1CCC2(C1)OCCO2	160623348	AWIQMARNBNWTFL-LBPRGKRZSA-N	233.311	2.196	70	20	BEID	
C[C@@H](NCC1CCOCC1)c1cscn1	161180600	NMHIWMUCUAZDAS-SECBINFHSA-N	226.345	2.220	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc[nH]c1	159841179	HVRFDAKEAPSILA-KOLCDFICSA-N	206.289	2.323	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)NCC(F)(F)F	160897735	DLUTYDQRRISANV-HTRCEHHLSA-N	209.211	2.101	70	20	BEID	
CCOc1ccc(F)cc1S(=O)(=O)Cl	103569648	XCPZPUYEHPEEEN-UHFFFAOYSA-N	238.667	2.152	70	20	BEID	
O=S(=O)(Cl)c1cc(CCl)ccc1F	133899797	JHSJVIHMWWFVPN-UHFFFAOYSA-N	243.086	2.492	70	20	BEID	
Cc1cc(C)cc(N(C)Cc2nncn2C)c1	160823317	GSQWPUUHAARITK-UHFFFAOYSA-N	230.315	2.068	70	20	BEID	
C[C@H](N)C(=O)N[C@H](C)CCC1CCCCC1	160914082	SZFLCAHTFIWDDR-MNOVXSKESA-N	226.364	2.199	70	20	BEID	
Cc1noc(NC(=O)[C@@H]2CCC[C@@H](C)C2)n1	161248842	RRVYANUWEZOWRB-VXNVDRBHSA-N	223.276	2.143	70	20	BEID	
Cc1cnccc1CNCc1ccco1	160598736	SCBLDEHKHVAHIJ-UHFFFAOYSA-N	202.257	2.273	70	20	BEID	
CCC[C@@H](C(=O)NC[C@@H]1CCCO1)C(C)C	160640831	METDLHGOSVOPRG-NWDGAFQWSA-N	227.348	2.354	70	20	BEID	
Cc1ccc2c(c1)C[C@@H](S(=O)(=O)Cl)CC2	536953782	POOKDUAHOKSYTI-NSHDSACASA-N	244.743	2.421	70	20	BEID	
CNC(=O)NOCc1ccc(C(F)(F)F)cc1	161086768	VGAJHUXVQAFMPV-UHFFFAOYSA-N	248.204	2.066	70	20	BEID	
Cc1cc(CS(=O)(=O)Cl)cc(Cl)n1	307291400	NLBFUTPESPTSSX-UHFFFAOYSA-N	240.111	2.112	70	20	BEID	
COc1ccc(CN(C)Cc2c[nH]nc2C)cc1	159873677	SXJZOIMTZYMNSV-UHFFFAOYSA-N	245.326	2.359	70	20	BEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc[nH]c1	160203957	XGQNZMIFSUYUOO-LBPRGKRZSA-N	248.326	2.236	70	20	BEID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)s1	161419593	BRKJBLPAFQKTBV-VHSXEESVSA-N	238.356	2.056	70	20	BEID	
Cc1cc(CNC(=O)c2cccc(C)c2F)no1	161479275	HSFACOLBRSHSOI-UHFFFAOYSA-N	248.257	2.361	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(C(N)=O)c1	159773517	BPSAPRZOIDISKA-FZMZJTMJSA-N	246.310	2.160	70	20	BEID	
CCc1nnc(CN2CC[C@@H]3CCCC[C@@H]32)o1	160549456	FQYGWAFASUPBHF-QWRGUYRKSA-N	235.331	2.397	70	20	BEID	
Cc1cnccc1CNC(=O)C(C)(C)C	160680762	LWAFEZYZHMDUQT-UHFFFAOYSA-N	206.289	2.052	70	20	BEID	
CC(C)NCCC(=O)N1C[C@H](C)CCC[C@H]1C	160935423	DJYYUVFOMLTIOJ-CHWSQXEVSA-N	240.391	2.412	70	20	BEID	
O=C(NCC1(C2CC2)CC1)c1ccoc1	160059793	HRPAYBUYAZMHIF-UHFFFAOYSA-N	205.257	2.200	70	20	BEID	
C[C@H](C[C@@H]1CCCO1)NC(=O)NC1(C)CCC1	160526445	BXUQIYZPJDRCJU-MNOVXSKESA-N	240.347	2.186	70	20	BEID	
CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F	159410204	VRNWEXFNAUEDNE-IUCAKERBSA-N	241.237	2.138	70	20	BEID	
CCC(C)(CC)C(=O)NCC1(OC)CCC1	159459139	RKMCJWALOYMROW-UHFFFAOYSA-N	227.348	2.498	70	20	BEID	
Cc1ccnc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160282303	YGWYEVJNGAPNMX-NWDGAFQWSA-N	233.315	2.155	70	20	BEID	
COCC(C)(C)C(=O)Oc1ccccc1	160492139	GHTFXFCNUDKQAE-UHFFFAOYSA-N	208.257	2.265	70	20	BEID	
CC(C)(C)CCNC(=O)c1cccc(F)n1	160695594	QZGQPGCGFFKPRN-UHFFFAOYSA-N	224.279	2.387	70	20	BEID	
C[C@H](CCN(C)C)N[C@H](C)c1cscn1	161178573	YBSZRLQZLWKSLI-NXEZZACHSA-N	227.377	2.134	70	20	BEID	
C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccoc1	160764294	PTJUKFWMJQEYDX-MFKMUULPSA-N	244.294	2.157	70	20	BEID	
CC(C)(C)CC(=O)NOCc1cccnc1	160829178	ZNIIWUAMVAUJLV-UHFFFAOYSA-N	222.288	2.066	70	20	BEID	
C[C@@H](Cc1ccccc1F)S(=O)(=O)Cl	103906884	GDNVCAQQELVYDZ-ZETCQYMHSA-N	236.695	2.325	70	20	BEID	
C[C@@H](NCCC(C)(C)O)[C@@H]1COc2ccccc21	160154797	QETSCAFKHHMBQT-YPMHNXCESA-N	249.354	2.302	70	20	BEID	
CCCc1cc(N(C)[C@H](C)CC)n2ncnc2n1	160440372	OVVQMBRTXYMEFN-SNVBAGLBSA-N	247.346	2.312	70	20	BEID	
CO[C@](C)(C(=O)NC1CC=CC1)c1ccccc1	161011473	KMJAPTPSHIHVQG-HNNXBMFYSA-N	245.322	2.383	70	20	BEID	
CC(C)NC1CCN(CCCOC(C)C)CC1	160499534	QPJFRQSJHQMDBU-UHFFFAOYSA-N	242.407	2.264	70	20	BEID	
CC(C)[C@H](N)C(=O)N[C@@H](C)CCC(C)(C)C	161231745	POEANHZTCQPQJR-QWRGUYRKSA-N	228.380	2.301	70	20	BEID	
CCn1ccnc1CN1CCc2ccccc2C1	160668121	UOYYNDNIBYKVDD-UHFFFAOYSA-N	241.338	2.461	70	20	BEID	
O=C(NCC1CC1)c1ccnc(Cl)c1F	161304341	ZHVSDCBQDQYYHY-UHFFFAOYSA-N	228.654	2.014	70	20	BEID	
Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H]2CN)c1	160149173	GKPVHOMTKCDSHN-TZMCWYRMSA-N	246.354	2.048	70	20	BEID	
COc1ccc([C@@H](C)NCCO)c2ccccc12	159687165	TWBJVQLHVQMAGM-LLVKDONJSA-N	245.322	2.491	70	20	BEID	
CC1(NC(=O)NOCc2ccccc2)CCC1	160743736	FWJVPIMZKIXLJU-UHFFFAOYSA-N	234.299	2.360	70	20	BEID	
C[C@@H](CC(=O)NCCC1CC1)c1ccncc1	160886502	KPCFJBVXPMWLAW-NSHDSACASA-N	232.327	2.492	70	20	BEID	
CCc1ncsc1NC(=O)C(C)(C)COC	160987119	WMXWGRZIQPOIDF-UHFFFAOYSA-N	242.344	2.317	70	20	BEID	
CC1(NC(=O)c2ccncc2F)CCCC1	161402791	JOPPPAJYLYUNCE-UHFFFAOYSA-N	222.263	2.283	70	20	BEID	
C[C@@H]1CCC[C@H]1NC(=O)c1cccc2[nH]cnc12	159426181	LHVXFMGRVHEITB-MWLCHTKSSA-N	243.310	2.481	70	20	BEID	
CCCN(CC)c1ccc(C(=O)N(C)CC)cn1	159921805	CZWZXWKHMQXLQO-UHFFFAOYSA-N	249.358	2.410	70	20	BEID	
CC1(C)C[C@H]1C(=O)NCCOCc1ccccc1	160007091	LFEPCTPOPKGDKC-ZDUSSCGKSA-N	247.338	2.366	70	20	BEID	
CC1(C)C[C@@H](Nc2cncc(Cl)n2)CCO1	160567365	UKEJBUVRNRDOPC-QMMMGPOBSA-N	241.722	2.500	70	20	BEID	
CC[C@H](C)[C@H](C)NC(=O)c1ccncc1F	161400877	CFZJRIWVMKHBQR-IUCAKERBSA-N	224.279	2.385	70	20	BEID	
CC(=O)NC1CCN(CCC2CCCC2)CC1	159870069	BGAHKPLPLPJMEH-UHFFFAOYSA-N	238.375	2.167	70	20	BEID	
CCCCNC(=S)NC1(C)CCC1	159966328	CKFYAAIBRCTIBZ-UHFFFAOYSA-N	200.351	2.193	70	20	BEID	
COc1ccccc1CN(C)Cc1ccnn1C	160421564	XNBUXKASMPYPGG-UHFFFAOYSA-N	245.326	2.061	70	20	BEID	
Cc1ccc([C@H](C)N(C)Cc2nncn2C)cc1	160796234	BSOPEFOXCJLNIN-LBPRGKRZSA-N	244.342	2.317	70	20	BEID	
CC(C)CNC(=O)c1ccc(C(F)(F)F)cn1	161098150	VXPTYBIHDDCHDK-UHFFFAOYSA-N	246.232	2.486	70	20	BEID	
CCCN(CCOCC1CC1)CC(F)F	159915427	CJYIBUJMPPHNCR-UHFFFAOYSA-N	221.291	2.390	70	20	BEID	
C[C@@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl	161150803	ZJSAIKJCTYHHAW-RNFRBKRXSA-N	244.697	2.004	70	20	BEID	
CCCNCCNCc1ccc(Cl)cc1	161332634	MPZVJDOGNICWDL-UHFFFAOYSA-N	226.751	2.429	70	20	BEID	
CCCOCC(=O)N[C@@H]1CCC[C@@H]1CC	159722481	ABPFKVULXBJUFG-WDEREUQCSA-N	213.321	2.108	70	20	BEID	
Fc1cncc(CNCc2ccco2)c1	160124488	OUPWVUXHRKAXEV-UHFFFAOYSA-N	206.220	2.104	70	20	BEID	
C[C@@H](CCO)NC(=O)N[C@@H](C)CCC(C)(C)C	160417239	PMLYJXKXTKRTCW-QWRGUYRKSA-N	244.379	2.271	70	20	BEID	
CC(C)c1nc(Cn2cnc3c2CCCC3)no1	160725839	NRMHTPHNVFWWOS-UHFFFAOYSA-N	246.314	2.317	70	20	BEID	
CCCNC(=S)N1CC[C@@H](C)[C@H](C)C1	160867096	ODRSKCQKULQVEK-NXEZZACHSA-N	214.378	2.249	70	20	BEID	
COc1cc(C)ccc1CNC(=O)C(C)(C)F	159838479	OCXHBHWUKXKHBL-UHFFFAOYSA-N	239.290	2.368	70	20	BEID	
CC[C@@H](C)N(C)CCN[C@@H](C)CC1CC1	160119418	AWFBXDRQPJOYGL-NWDGAFQWSA-N	212.381	2.495	70	20	BEID	
COc1cccc(CS[C@H](C)CO)c1	160741318	CEJGTTOMMJURIN-SECBINFHSA-N	212.314	2.309	70	20	BEID	
CCC(CC)NC(=O)N[C@@H](CCO)C(C)(C)C	161144071	GFPRPWQVXKAWKA-NSHDSACASA-N	244.379	2.271	70	20	BEID	
COCC(C)(C)C(=O)N[C@@H](C)CC(C)C	161355192	QCOPRKYUSZPGNJ-JTQLQIEISA-N	215.337	2.210	70	20	BEID	
CCOCCCCNC(=O)NC1(C)CCC1	159530924	OAARQWDIPJFLPI-UHFFFAOYSA-N	228.336	2.045	70	20	BEID	
CCCNC(=S)N1CC[C@@H](C)[C@@H](C)C1	160867331	ODRSKCQKULQVEK-ZJUUUORDSA-N	214.378	2.249	70	20	BEID	
CC[C@H](N)C(=O)NC1(c2ccccc2)CCCC1	160049329	XHOQHYOTNBWIAD-ZDUSSCGKSA-N	246.354	2.309	70	20	BEID	
CCC(CC)(CC)NC(=O)[C@H](C)OC	160656159	YOQLFPXQSXXZIX-VIFPVBQESA-N	201.310	2.106	70	20	BEID	
O=C(Nc1cccc2cn[nH]c12)[C@@H]1CCCCO1	160662264	RFWWHGILGXEFSA-NSHDSACASA-N	245.282	2.071	70	20	BEID	
Cc1ccc(OCCCNC(=O)NC2CC2)cc1	217297952	CJVRNVDGLHSCPM-UHFFFAOYSA-N	248.326	2.226	70	20	BEID	
C[C@@H](C[C@H]1CCCO1)NC(=O)NC1(C)CCC1	160526565	BXUQIYZPJDRCJU-WDEREUQCSA-N	240.347	2.186	70	20	BEID	
CS[C@@H](C)CC(=O)N1C[C@H](C)OC(C)(C)C1	161230505	PPHGULOWYPPHMZ-UWVGGRQHSA-N	245.388	2.154	70	20	BEID	
CCC(C)(CC)C(=O)N1CCO[C@@H](C)[C@@H]1C	159479805	PAKOLJWHUWPRES-QWRGUYRKSA-N	227.348	2.449	70	20	BEID	
C[C@H](CCC(C)(C)C)NC(=O)C[C@H]1CCCN1	159774105	RYUOCXPXTWVVEW-VXGBXAGGSA-N	240.391	2.460	70	20	BEID	
O=C(N[C@@H]1CC=CCC1)c1ccncc1F	161404972	KHTJSMHIZMNYRI-SECBINFHSA-N	220.247	2.059	70	20	BEID	
C[C@@H](NC(=O)C(F)F)c1ccc(F)cc1F	217636637	HTSWGVWLIFSITE-RXMQYKEDSA-N	235.180	2.407	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCc2cc(F)ccc2C1	536954750	ZUMJJYIQVSJEFR-SNVBAGLBSA-N	248.706	2.252	70	20	BEID	
CCOC(=O)[C@@H](C)N(C)OCc1ccccc1	159625606	BTCKVRQCKDKZSO-LLVKDONJSA-N	237.299	2.002	70	20	BEID	
C[C@@H]1CCC[C@@H](C(=O)Nc2cn[nH]c2)C1	160398625	OJZGCXSCJVOUML-RKDXNWHRSA-N	207.277	2.175	70	20	BEID	
CC(C)N(C)C(=O)CN1CC[C@@H]2CCCC[C@@H]21	160554271	JSWAUYKHIKMNGT-STQMWFEESA-N	238.375	2.118	70	20	BEID	
CC1(C)CCC[C@H](NC(=O)N[C@@H]2CCOC2)C1	160722902	ZBXSLZXPUUMSEG-WDEREUQCSA-N	240.347	2.043	70	20	BEID	
Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ncn1	161196824	GTRCKTGBWFXMLT-ZMLRMANQSA-N	247.342	2.340	70	20	BEID	
COc1cc(NC2CCN(C)CC2)ccc1F	159938150	RXGHCMFNDKFUSL-UHFFFAOYSA-N	238.306	2.340	70	20	BEID	
CC(C)[C@@H]1C(=O)NCCN1CCC1CCCC1	160451071	HEKZFCJOQSACHN-CYBMUJFWSA-N	238.375	2.023	70	20	BEID	
CCN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	159460960	ZDIURVDBDRBVQU-NSHDSACASA-N	242.363	2.195	70	20	BEID	
COc1ccc(N(C)C(=O)C(C)C)cc1F	159464948	IJGRCOIXDUWJAR-UHFFFAOYSA-N	225.263	2.453	70	20	BEID	
C[C@@H](CCO)SCc1ccc(CO)cc1	159481497	AZZNHZKQZPNUQR-JTQLQIEISA-N	226.341	2.183	70	20	BEID	
CC1(C)C[C@H](NC2CCSCC2)CCO1	160538814	OQDIHADNVZWDAS-LLVKDONJSA-N	229.389	2.429	70	20	BEID	
CC(C)CCNC(=O)N[C@@H](CCO)C(C)(C)C	161126251	OEBVEAHVHGAVDF-NSHDSACASA-N	244.379	2.129	70	20	BEID	
CC[C@@H](C)CS(=O)(=O)Cc1nccs1	161213531	ZPAUPGKIZIDEPV-MRVPVSSYSA-N	233.358	2.104	70	20	BEID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCOC	161296638	KSHKMZSJTKOMJW-NWDGAFQWSA-N	227.348	2.450	70	20	BEID	
CCc1ccc(/C=C/C(=O)N[C@@]2(C)CCOC2)o1	161400388	RHHJHBGWEFXSQA-UZYOAWRESA-N	249.310	2.150	70	20	BEID	
CC(C)OCCC(=O)N1[C@@H](C)CC[C@H]1C	161473211	XLGZDUOHIXPWRS-PHIMTYICSA-N	213.321	2.201	70	20	BEID	
CCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217788628	LLSUOVGMVVMNNX-CKYFFXLPSA-N	245.388	2.141	70	20	BEID	
CCCC(=O)N(CCCO)Cc1ccccc1	218343321	AGADVDCCZYCBRT-UHFFFAOYSA-N	235.327	2.198	70	20	BEID	
CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)Cl	100501550	XFQZDRCVLBYMKO-HTQZYQBOSA-N	227.757	2.369	70	20	BEID	
CC(C)(N)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1	159945486	XNGVITZDUFYWJC-VXGBXAGGSA-N	238.375	2.056	70	20	BEID	
C[C@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1	160298611	NSJLZAUVBWZUQZ-ZETCQYMHSA-N	246.232	2.077	70	20	BEID	
CC1(C)C[C@@H](NC2CCSCC2)CCO1	160538934	OQDIHADNVZWDAS-NSHDSACASA-N	229.389	2.429	70	20	BEID	
CC1(C)C[C@H](Nc2cncc(Cl)n2)CCO1	160567237	UKEJBUVRNRDOPC-MRVPVSSYSA-N	241.722	2.500	70	20	BEID	
COC[C@H](C)CN[C@@H](C)c1cscn1	161168531	VHCTWBWKFQKPOG-BDAKNGLRSA-N	214.334	2.076	70	20	BEID	
COc1ccc(OC(=O)[C@H]2CCCCO2)cc1	159363342	OEYCQEFXDPJNLZ-GFCCVEGCSA-N	236.267	2.170	70	20	BEID	
COc1cccnc1NCc1cscn1	159446150	NDMXCXWPZSLDNH-UHFFFAOYSA-N	221.285	2.159	70	20	BEID	
Cn1cccc(NC(=O)CCC(C)(C)C)c1=O	159917923	GOFCGFYAZVSBRN-UHFFFAOYSA-N	236.315	2.150	70	20	BEID	
CCc1cc(O)nc(CN2C[C@@H](C)C[C@H](C)C2)n1	160478233	FOYYILZLOSPVDQ-QWRGUYRKSA-N	249.358	2.223	70	20	BEID	
Cn1cnnc1CN(CC1CCCCC1)C1CC1	160818270	NIRUKAHYGPRILT-UHFFFAOYSA-N	248.374	2.360	70	20	BEID	
c1cncc(-c2ccnn2Cc2nccs2)c1	161308243	BTNBEBPJHUSHGP-UHFFFAOYSA-N	242.307	2.450	70	20	BEID	
CCc1ncnc(NCCc2cccnc2)c1F	217964923	LWVWRVXHGHTTDZ-UHFFFAOYSA-N	246.289	2.228	70	20	BEID	
c1coc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159521931	SVNSCYHANHXNSE-AVGNSLFASA-N	233.311	2.327	70	20	BEID	
CC(C)(F)C(=O)NCCc1ccc(Cl)nc1	160068804	PPBSBVBZBBRMGB-UHFFFAOYSA-N	244.697	2.142	70	20	BEID	
C[C@@H](NCCC(C)(C)O)[C@H]1COc2ccccc21	160155061	QETSCAFKHHMBQT-DGCLKSJQSA-N	249.354	2.302	70	20	BEID	
CC[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160203553	SKKBEOLTSBOQBG-SSDOTTSWSA-N	248.286	2.358	70	20	BEID	
CNC(=O)c1cccc(OCc2nccs2)c1	161258131	SBWKKUBTCYDVRQ-UHFFFAOYSA-N	248.307	2.082	70	20	BEID	
CC1(C)CN(Cc2cnc(N)s2)CCS1	161287499	DKWPMHJSUNKZBB-UHFFFAOYSA-N	243.401	2.053	70	20	BEID	
CCCn1cc(C(=O)Nc2cccc(F)n2)cn1	160835992	NZIQSTPPSBKYTD-UHFFFAOYSA-N	248.261	2.080	70	20	BEID	
CCNCCNCc1ccc(Cl)cc1F	161307639	RQBHNMXGKKPJTL-UHFFFAOYSA-N	230.714	2.178	70	20	BEID	
Cc1ccc(CCN2CCCC[C@@H]2CO)cc1	159851505	OYBLINXUCLOGST-OAHLLOKOSA-N	233.355	2.384	70	20	BEID	
CCCC(=O)Nc1cc(C2CC2)nc(C)n1	159906595	GIJIAFCYCOTNSC-UHFFFAOYSA-N	219.288	2.401	70	20	BEID	
COCCCNC(=O)c1cc(C)c(F)c(C)c1	161371305	KRNOBNOJBILSIC-UHFFFAOYSA-N	239.290	2.209	70	20	BEID	
CC[C@@H](CSC)Nc1cc(F)ncn1	217437943	LXGTYWAQPMNRSW-ZETCQYMHSA-N	215.297	2.169	70	20	BEID	
CCOCC(=O)N(C)[C@H]1CCCC[C@@H]1CC	161091159	DWZFCGPPSAYPQB-RYUDHWBXSA-N	227.348	2.450	70	20	BEID	
Cc1cc(N[C@@H]2CCN3CCCC[C@@H]23)nc(C)n1	217362767	XVCYZSTXYMINCH-OLZOCXBDSA-N	246.358	2.132	70	20	BEID	
CS[C@@H](C)CNc1nc(C)cc(C)n1	160437494	GMPBBZBYPCCNTQ-VIFPVBQESA-N	211.334	2.257	70	20	BEID	
CN(C)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F	159815497	XHYWGAZXCQVLIO-IUCAKERBSA-N	225.238	2.157	70	20	BEID	
Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)N)cc1	159912439	OTBCGZLXTKVIKI-OCCSQVGLSA-N	246.354	2.396	70	20	BEID	
Cc1cnc(NC2CCSCC2)nc1	160424637	GPKLWGLBQIXDIW-UHFFFAOYSA-N	209.318	2.093	70	20	BEID	
Cc1cccc2c1OCC(S(=O)(=O)Cl)=C2	100645314	PYIDLGJPLFVUBJ-UHFFFAOYSA-N	244.699	2.297	70	20	BEID	
C[C@H](Nc1cn[nH]c(=O)c1Cl)C1CCC1	160069531	PWRRVOWJZGMPPK-LURJTMIESA-N	227.695	2.024	70	20	BEID	
CC1(C)CCC(CN2CCC[C@H]2C(N)=O)CC1	160336426	YJVJYXTZVVVDEV-LBPRGKRZSA-N	238.375	2.153	70	20	BEID	
CC(C)C[C@H](C)NC(=O)NC1CC=CC1	160355763	IQRVOQLYMRCPNJ-JTQLQIEISA-N	210.321	2.439	70	20	BEID	
CC(C)C[C@@H]1CCCCCN1C(=O)CCN	161297411	MIDCLLZSURRSKV-LBPRGKRZSA-N	226.364	2.153	70	20	BEID	
Cc1c(F)cccc1NC(=O)N[C@H]1CCOC1	159393723	JSGLJGBZFLGQBB-VIFPVBQESA-N	238.262	2.045	70	20	BEID	
C[C@H](NCc1ccc(CO)o1)C1CCC1	160180338	WKTBYBJWWIARDL-VIFPVBQESA-N	209.289	2.050	70	20	BEID	
CN(Cc1cccn1C)C(=O)CC1CCC1	160580270	GIOVCOQPWJRSPD-UHFFFAOYSA-N	220.316	2.174	70	20	BEID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)C	160653738	TYWRQWKIBYUDJA-BDAKNGLRSA-N	209.314	2.248	70	20	BEID	
CO[C@H]1CCCC[C@H]1NC[C@@H](O)c1ccccc1	218011512	RZRZBYPIWJSVLN-KFWWJZLASA-N	249.354	2.267	70	20	BEID	
C[C@H](c1ccc2c(c1)OCO2)S(=O)(=O)Cl	259293651	MYAQMYJAAAAGNB-ZCFIWIBFSA-N	248.687	2.045	70	20	BEID	
C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cl	88251273	AYTCJTUADJQNIK-ZCFIWIBFSA-N	249.675	2.224	70	20	BEID	
CC(C)CN(CC(C)C)C(=O)N[C@@H]1CCOC1	159472808	FRKDUAHPEIVOIU-GFCCVEGCSA-N	242.363	2.099	70	20	BEID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)C1CC1	160771280	HXIZDUHHBSSYDD-GFCCVEGCSA-N	237.343	2.395	70	20	BEID	
Cc1cccc(N(C)Cc2nncn2C)c1C	160823118	YZOUZMLKOYNJQD-UHFFFAOYSA-N	230.315	2.068	70	20	BEID	
CC(C)[C@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1	160893894	KYDXVOMPPKTLMN-BZPMIXESSA-N	248.370	2.278	70	20	BEID	
C[C@H](NC(=O)[C@@H](C)N)c1ccc(F)cc1Cl	161150679	ZJSAIKJCTYHHAW-RQJHMYQMSA-N	244.697	2.004	70	20	BEID	
CC[C@H](C)C[C@H](CC)N[C@@H](C)CC(N)=O	160680871	QLMCZMAEBMTMPP-DCAQKATOSA-N	214.353	2.055	70	20	BEID	
CCCCN(CC)C(=O)c1cc(C)ncn1	161198761	UWKDPABRDGHCLZ-UHFFFAOYSA-N	221.304	2.047	70	20	BEID	
CNC(=O)[C@H](Cc1ccccc1)C(C)C	159410958	IKDIVTONCAQLBY-GFCCVEGCSA-N	205.301	2.247	70	20	BEID	
CCONC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	159592775	XKQHLWPADYCPPO-BDAKNGLRSA-N	241.237	2.136	70	20	BEID	
C[C@@H]1CN(Cc2cnc3ccccn23)CCS1	159795747	ZVVNXPMWNODKDI-LLVKDONJSA-N	247.367	2.272	70	20	BEID	
O=C(Nc1cccc2cn[nH]c12)[C@H]1CCCCO1	160662412	RFWWHGILGXEFSA-LLVKDONJSA-N	245.282	2.071	70	20	BEID	
CCOC(=O)CCCN1CCC[C@H](CC)C1	160963853	SPGBZIHPPUOWRR-LBPRGKRZSA-N	227.348	2.452	70	20	BEID	
CC(C)(N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159714082	ZFGDNDLAJQBGGF-QWHCGFSZSA-N	246.354	2.176	70	20	BEID	
C[C@@H]1CCC[C@@H](C(=O)N2CCOC(C)(C)C2)C1	160355277	QYXHOUFIPNIESB-VXGBXAGGSA-N	239.359	2.450	70	20	BEID	
C[C@@H]1CN(C(=S)NC2CC2)CC[C@H]1C	160871340	FKXAEDPMSUBNFY-RKDXNWHRSA-N	212.362	2.001	70	20	BEID	
O=S(=O)(Cl)CCc1cc(F)cc(F)c1	104669726	NNKZPQPCBCWYEV-UHFFFAOYSA-N	240.658	2.076	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc(C)nn1C	159598185	UAKZUTSGWNDHPZ-WDEREUQCSA-N	235.331	2.037	70	20	BEID	
CCc1ccccc1C(=O)NCCN(CC)CC	160553075	HCGYGLKJMODZBN-UHFFFAOYSA-N	248.370	2.321	70	20	BEID	
CCCOCC(=O)NCCCSCC(C)C	160877330	QJIZBGXKVGEVGQ-UHFFFAOYSA-N	247.404	2.309	70	20	BEID	
CC[C@H](NC(=O)N[C@H]1CCOC1)c1ccccc1	159372521	CJTBDRXKEMOAEC-STQMWFEESA-N	248.326	2.226	70	20	BEID	
C[C@@H](NC(=O)c1ccc(F)nc1)C1CCC1	160202319	UXGARFFZRGOLAN-MRVPVSSYSA-N	222.263	2.139	70	20	BEID	
CCCC1(CNC(=O)[C@H](C(C)C)N(C)C)CC1	160570776	UUVFZNAOTSQBKT-LBPRGKRZSA-N	240.391	2.269	70	20	BEID	
CC1(NC(=O)OCC(F)(F)F)CCC1	159969595	QGQFWWZHJIUMCZ-UHFFFAOYSA-N	211.183	2.218	70	20	BEID	
CCCC1(CNC(=O)[C@@H](C)OCC)CC1	160577966	WAQCCAXPSCOPDB-SNVBAGLBSA-N	213.321	2.108	70	20	BEID	
Cc1nc(C)c([C@@H](C)S(=O)(=O)Cl)s1	111208143	RJWZUQNSUODWJR-RXMQYKEDSA-N	239.749	2.390	70	20	BEID	
O=C(OCCCc1ccncc1)[C@H]1CCCCO1	159650493	NGZFVWOOMFUPIN-CYBMUJFWSA-N	249.310	2.127	70	20	BEID	
CN(CCNC(=O)C1=CCCC1)c1ccccc1	160183408	MTSWXQSUGXJHOK-UHFFFAOYSA-N	244.338	2.349	70	20	BEID	
CC[C@H](SC)c1nc(COC)no1	161317846	SBGGWLNOBZBPFQ-LURJTMIESA-N	202.279	2.030	70	20	BEID	
CCC[C@H](C(=O)NC[C@H]1CCCO1)C(C)C	160640944	METDLHGOSVOPRG-NEPJUHHUSA-N	227.348	2.354	70	20	BEID	
CCC[C@@H](C)N(C)C(=O)c1ccncc1F	161390122	KJROQTSOCRBLNA-SECBINFHSA-N	224.279	2.481	70	20	BEID	
CCCOCC(=O)N[C@@H]1CCC[C@H]1CC	159722744	ABPFKVULXBJUFG-GHMZBOCLSA-N	213.321	2.108	70	20	BEID	
C[C@@H]1CCN(C(=O)NCC(F)(F)F)C[C@@H]1C	160046701	LEAJGPZEEHYJPW-SFYZADRCSA-N	238.253	2.236	70	20	BEID	
CC(C)C[C@H](N)c1nc([C@H]2C[C@@H]2C)no1	161007117	OQJBGNULXCEAPZ-CIUDSAMLSA-N	209.293	2.239	70	20	BEID	
CCC[C@@H]1C[C@H]1NC(=O)Nc1cnc(CC)nc1	161148878	LJVHKUIMZWGWGY-MWLCHTKSSA-N	248.330	2.349	70	20	BEID	
CC[C@@H](O)CCNc1ccnc(Cl)c1	217818563	PEZSKVQANFALPJ-SECBINFHSA-N	214.696	2.308	70	20	BEID	
CS[C@H](C)CC(=O)N(C)C[C@@H]1CCCCO1	160782638	CLEOUUKHRMVRAX-MNOVXSKESA-N	245.388	2.156	70	20	BEID	
CSCC[C@@H](C)N(C)Cc1cnc(N)s1	161289595	BBSRFUBHQVZVSA-MRVPVSSYSA-N	245.417	2.299	70	20	BEID	
CCc1ccccc1CS(=O)(=O)Cl	107022746	LXUVRLOSDMHVEU-UHFFFAOYSA-N	218.705	2.318	70	20	BEID	
CCOc1ccc(NC[C@H](C)O)cc1F	159840094	LGONRSOUQYQOIQ-QMMMGPOBSA-N	213.252	2.017	70	20	BEID	
CCCn1c(C)nnc1CN1CC[C@@H](CC)C1	160942065	ABOUCLSILMEQHW-GFCCVEGCSA-N	236.363	2.228	70	20	BEID	
C[C@H](CCC(C)(C)C)NC(=O)C(C)(C)N	161229171	LSNLSKHJTZFRNE-SECBINFHSA-N	214.353	2.055	70	20	BEID	
CCC[C@@H](O)CNc1ncnc(Cl)c1CC	218146035	FJFPKGZDNQWSEN-MRVPVSSYSA-N	243.738	2.265	70	20	BEID	
COC[C@H](C)NC(=S)NCC(C)(C)C(C)C	218745940	NATASXKJMPWJKD-JTQLQIEISA-N	246.420	2.168	70	20	BEID	
O=C(Nc1cc(F)ccc1F)[C@@H]1CCCCO1	159463426	WOQBNEAVZBNKGY-NSHDSACASA-N	241.237	2.472	70	20	BEID	
CCCC[C@@H](S[C@H](C)CCO)C(=O)OC	160692252	QTFITKWKLLFRAB-NXEZZACHSA-N	234.361	2.222	70	20	BEID	
CCOC(=O)c1ccc(NC(=O)C(F)F)cc1	217614403	SAECKNUWPQKOAJ-UHFFFAOYSA-N	243.209	2.067	70	20	BEID	
C[C@@H]1CCN([C@H](C)C(=O)OC(C)(C)C)C1	217728906	RUDIPSKEEWHZES-NXEZZACHSA-N	213.321	2.058	70	20	BEID	
C[C@@H]1CC(NC(=O)Nc2cccnc2)C[C@@H](C)O1	159504260	AMELPXWPXXHLAQ-NXEZZACHSA-N	249.314	2.159	70	20	BEID	
FC(F)(F)c1ncc(CNC2CC2)s1	159600660	DMSVIEBSHMHRPI-UHFFFAOYSA-N	222.235	2.414	70	20	BEID	
c1cncc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159661435	FUKRSAMWHQDBHZ-RDBSUJKOSA-N	244.338	2.129	70	20	BEID	
CC[C@H](C)OCC(=O)N(CC)C(C)C	159903455	SAKALGWYZTURMV-JTQLQIEISA-N	201.310	2.058	70	20	BEID	
Cc1cnccc1CN[C@@H]1CCCSC1	160594224	VUAXGTUEFGZODE-GFCCVEGCSA-N	222.357	2.375	70	20	BEID	
CC(C)C[C@@H]1CCCCCN1C(=O)[C@H](C)N	161297271	OCAQFAGJNMPXTD-RYUDHWBXSA-N	226.364	2.151	70	20	BEID	
CC1(C)C[C@H]1NCc1cc(O)cc(F)c1	159598002	MNBWLECASBVGKA-LLVKDONJSA-N	209.264	2.419	70	20	BEID	
CCCCCN1C(=O)N[C@H](CCCC)C1=O	159635880	AKWVHVVCCNJREN-SNVBAGLBSA-N	226.320	2.287	70	20	BEID	
C[C@H](Nc1ccnc(C(=O)N(C)C)c1)C1CCC1	159989189	VNJWWYQOTXLXKV-JTQLQIEISA-N	247.342	2.384	70	20	BEID	
CCCC[C@H](Sc1ncccn1)C(=O)OC	160593262	OCDBCPNSKQMRHQ-VIFPVBQESA-N	240.328	2.301	70	20	BEID	
C[C@H]1CCC[C@](F)(CS(=O)(=O)Cl)C1	1537958967	QLLPZFMVTRBZDR-JGVFFNPUSA-N	228.716	2.473	70	20	BEID	
CCOC[C@@H](C)N[C@H](C)c1cscn1	161186993	OCMNTTUSPKLXKG-RKDXNWHRSA-N	214.334	2.219	70	20	BEID	
O=S(=O)(Cl)C[C@]1(F)C[C@H]2CC[C@H]1C2	1537958648	HYRINHHDHIVXIN-BIIVOSGPSA-N	226.700	2.083	70	20	BEID	
CS[C@H](C)CNC(=O)c1cccc(C)c1O	159530736	DHYGUIIVGPQVFI-SECBINFHSA-N	239.340	2.182	70	20	BEID	
CC(=O)c1csc(NC(=O)C2=CCCC2)n1	159971112	LKTTUHPIUKZUMA-UHFFFAOYSA-N	236.296	2.395	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(OC)nc1	160808278	GGBGHJWFEBUQSF-BXUZGUMPSA-N	248.326	2.143	70	20	BEID	
CNc1ccc(C(=O)N[C@H]2CCC(C)(C)C2)cn1	159740901	YEHYUKWCFORILR-NSHDSACASA-N	247.342	2.432	70	20	BEID	
C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CC=CC1	160970113	XNSLKXLCXDNUAI-YPMHNXCESA-N	237.343	2.417	70	20	BEID	
O=C(NC12CC3CC(CC(C3)C1)C2)C(F)F	217585518	YNZKEPHHHHFIIS-UHFFFAOYSA-N	229.270	2.337	70	20	BEID	
O=C(OCc1ccccc1)[C@@H]1CCCCO1	159406615	WUMMYIJNLDSKPL-LBPRGKRZSA-N	220.268	2.299	70	20	BEID	
CCCNC(=S)N[C@H](C)CC(C)C	159572928	PIOFYZILQOPJFC-SECBINFHSA-N	202.367	2.295	70	20	BEID	
NC(=O)c1ccc(CSc2ccncc2)cc1	159907257	VLVUSEVOEGKKNB-UHFFFAOYSA-N	244.319	2.473	70	20	BEID	
CCCC[C@H](C(=O)OC)N(C)CC1CCC1	160799717	BUXTYNXHHGFDAN-GFCCVEGCSA-N	227.348	2.450	70	20	BEID	
CC(C)CNC(=S)N1CC[C@@H](C)[C@H](C)C1	160867719	RBMBNEHKHIJFQS-GHMZBOCLSA-N	228.405	2.495	70	20	BEID	
Cc1cc(NC(=O)c2ccc(O)cc2F)no1	161506394	KLMXTASMNRFPCY-UHFFFAOYSA-N	236.202	2.080	70	20	BEID	
C[C@H](CCC(C)(C)C)NC(=O)C[C@@H]1CCCN1	159773819	RYUOCXPXTWVVEW-NEPJUHHUSA-N	240.391	2.460	70	20	BEID	
CC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2C)C1	159814918	YBRIYVHEYDHPHI-JSGCOSHPSA-N	246.354	2.266	70	20	BEID	
Cc1nccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	160053615	WFPODJAIOWQGJC-UHTWSYAYSA-N	245.326	2.155	70	20	BEID	
CCNC(=O)N[C@H]1[C@H]2CCc3ccccc3[C@@H]21	161050830	HJPMLWFUOOUKLV-AVGNSLFASA-N	230.311	2.034	70	20	BEID	
Cn1nccc1CSc1ncc2ccccn12	161267378	DBKATVJBWRIUSW-UHFFFAOYSA-N	244.323	2.360	70	20	BEID	
O=S(=O)(Cl)c1ccc(Cl)c(F)c1O	238856363	VTZJOPXDRGUZJG-UHFFFAOYSA-N	245.058	2.112	70	20	BEID	
Cc1cc(C[C@H](C)NC(=O)CC(C)(C)C)n[nH]1	161068544	NRGOASBSQAPMRG-VIFPVBQESA-N	237.347	2.202	70	20	BEID	
CSCCNC(=O)c1cccc(C)c1F	161408422	GPGZYQNXIHMSRX-UHFFFAOYSA-N	227.304	2.227	70	20	BEID	
c1nc2c(c(N[C@@H]3CCSC3)n1)CCCC2	217809205	FRHLYVVYJXYPGH-SECBINFHSA-N	235.356	2.273	70	20	BEID	
Cc1cnc(C)c(N[C@@H]2CCOC(C)(C)C2)n1	159998022	XIEJEWUGZBQCKY-LLVKDONJSA-N	235.331	2.463	70	20	BEID	
CC(C)NC(=S)N[C@H](C)C1CCC1	160037913	YZXKMJPYBDZXHX-MRVPVSSYSA-N	200.351	2.048	70	20	BEID	
CC[C@H](CC(=O)NC[C@H](C)CO)c1ccccc1	160432339	NBVHLZNMMHPWLS-QWHCGFSZSA-N	249.354	2.315	70	20	BEID	
Cc1ccc(CCNC(=O)NC2(C)CCC2)cn1	161144723	GIHKCVRUPMZBLN-UHFFFAOYSA-N	247.342	2.174	70	20	BEID	
CC(C)CNC(=S)N[C@@H]1CCOC(C)(C)C1	159749284	UMUDUAQOXVRMJY-SNVBAGLBSA-N	244.404	2.064	70	20	BEID	
CCCC1(CNC(=O)CCCOCC)CC1	160663034	HUJMYGOXZUUMBS-UHFFFAOYSA-N	227.348	2.500	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[C@H](C)C1	160903099	MZOWHBSEEBZWSK-XQQFMLRXSA-N	241.375	2.336	70	20	BEID	
CS[C@H]1CCCCN(C(=O)NC(C)C)C1	161128578	MIVFONBAPGUILH-JTQLQIEISA-N	230.377	2.322	70	20	BEID	
CCc1ncc(NC(=O)N(C)[C@@H](C)CC)cn1	161174542	KKCDKDVQABOVHW-VIFPVBQESA-N	236.319	2.301	70	20	BEID	
CC[C@H]1CCCN(CCn2ccnc2)C1	159722294	UGZDMSKAZIVUNB-LBPRGKRZSA-N	207.321	2.005	70	20	BEID	
COc1ccc(CN(C)Cc2csnn2)cc1	159867986	JLOOQMQPIYLMSY-UHFFFAOYSA-N	249.339	2.179	70	20	BEID	
CCCC1(CNC(=O)COCC2CC2)CC1	160454339	KEWIOKLFJCWAAU-UHFFFAOYSA-N	225.332	2.110	70	20	BEID	
CCc1cc(O)nc(CN2CCCCCC2)n1	160460961	CESPSMLDZVMDRR-UHFFFAOYSA-N	235.331	2.121	70	20	BEID	
CC[C@@H]1CCCN1Cc1ccc(CO)o1	161165950	QDCSIIAXJWKJAN-SNVBAGLBSA-N	209.289	2.146	70	20	BEID	
O=C(OCC1CC1)c1cnccc1Cl	161405845	BBFQSAMKZXJRSC-UHFFFAOYSA-N	211.648	2.302	70	20	BEID	
C[C@@H]1CCC[C@@H](C)C1S(=O)(=O)Cl	88251651	XYQZHSYYMNCZQP-RNFRBKRXSA-N	210.726	2.380	70	20	BEID	
COc1ccc(N(C)C(C)=O)cc1Cl	160103446	RRMQWNYOQJETRR-UHFFFAOYSA-N	213.664	2.331	70	20	BEID	
CCc1cc(O)nc(CN(CC(C)C)C2CC2)n1	160755896	NWTZSLWTHQOMJW-UHFFFAOYSA-N	249.358	2.365	70	20	BEID	
Cc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)c(C)c1	160974811	YHGHGJGHTMWOEP-STQMWFEESA-N	246.354	2.303	70	20	BEID	
CCOCCC(=O)OCc1nc(C)sc1C	161117343	SFMCONZBJCKCTM-UHFFFAOYSA-N	243.328	2.230	70	20	BEID	
C[C@@H]1C[C@H](Nc2cccc(F)n2)CCO1	161308553	JNXWIPGIFBALCY-RKDXNWHRSA-N	210.252	2.200	70	20	BEID	
Fc1cccc(NC[C@H]2CCN(C3CC3)C2)n1	218120390	JHOWHEKVKYZABI-SNVBAGLBSA-N	235.306	2.117	70	20	BEID	
C[C@H](N)CN[C@H](C)Cc1ccc(Cl)cc1	218296550	ABVMWXJPTFRJHL-VHSXEESVSA-N	226.751	2.208	70	20	BEID	
CC[C@H](CCO)CN[C@@H](C)c1cscn1	161221316	YEMOIERIDUNENU-VHSXEESVSA-N	228.361	2.202	70	20	BEID	
CC(C)(C)[C@](C)(F)CS(=O)(=O)Cl	1537958754	JBVOSAWYOZPYLD-SSDOTTSWSA-N	216.705	2.329	70	20	BEID	
CCc1nc(CN[C@@H](C)C2CCCCC2)n[nH]1	160288238	PKBKYDFLWBUUSY-JTQLQIEISA-N	236.363	2.426	70	20	BEID	
Cc1cccc([C@@H](C)NCC(=O)NC(C)C)c1C	160922767	YEERGSQJCPEUSY-CYBMUJFWSA-N	248.370	2.479	70	20	BEID	
CCCNC(=O)c1ccc(C(F)(F)F)cn1	161097238	BDGWHJZFJKMSEB-UHFFFAOYSA-N	232.205	2.240	70	20	BEID	
Cc1ccnc(N[C@@H]2CCN(C)[C@H](C)C2)c1	161183984	UIFIFYRFPFHOTL-VXGBXAGGSA-N	219.332	2.285	70	20	BEID	
Cc1ccc(C[C@@H](NCCN)C(C)C)cc1	218278298	NPQOWTVRAUZBBW-CQSZACIVSA-N	220.360	2.110	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCCCOC	159551422	INBRLGFTLZFZNP-NEPJUHHUSA-N	227.348	2.498	70	20	BEID	
CC(C)c1ccc(CCCNC(=O)[C@H](C)N)cc1	159607365	ODOYEMBGERAECT-LBPRGKRZSA-N	248.370	2.206	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)CC(CC)CC	160715379	OVBHBGHXSRREAL-SNVBAGLBSA-N	243.347	2.271	70	20	BEID	
CCC(CC)NC[C@@](C)(O)C(F)(F)F	217043870	MZPGWAPPNCZIFI-MRVPVSSYSA-N	213.243	2.078	70	20	BEID	
NC1(C(=O)N2CCC3(CCC3)C2)CCCCC1	160627067	VTOZDDVANPKDNJ-UHFFFAOYSA-N	236.359	2.051	70	20	BEID	
C[C@H](CN(C)C)Nc1cccc(C(F)(F)F)n1	161115962	DNDVXIDEYCDFCR-MRVPVSSYSA-N	247.264	2.462	70	20	BEID	
C[C@@H](O)CN(C)C(=O)C[C@@H]1CCCCC1(C)C	160090837	XOEOBQAGHJMHSK-NEPJUHHUSA-N	241.375	2.432	70	20	BEID	
C[C@@H](CO)N(C)C(=O)C[C@@H](C)C1CCCCC1	160415892	IOHMSPMTNSYIGW-NEPJUHHUSA-N	241.375	2.432	70	20	BEID	
COC[C@@H](C)Nc1cccc(OCCF)c1	160885523	ATYRBTPYUZXOKJ-SNVBAGLBSA-N	227.279	2.482	70	20	BEID	
Cc1nc(CN(C)CCOCC2CC2)cs1	159721171	ZUPRASKUWVHJBF-UHFFFAOYSA-N	240.372	2.310	70	20	BEID	
c1ccc([C@H]2CCN(CCn3ccnc3)C2)cc1	159783767	KECQYCBUTQAQNZ-HNNXBMFYSA-N	241.338	2.373	70	20	BEID	
Cc1ccccc1[C@@H](C)CC(=O)N(C)[C@@H](C)CO	160451401	SINMUQCRCGZMQB-STQMWFEESA-N	249.354	2.328	70	20	BEID	
CCCC[C@H](CC)CC(=O)N(C)[C@@H](C)CO	160479325	IFEKUNXPVYAVIF-RYUDHWBXSA-N	229.364	2.432	70	20	BEID	
C[C@H](NC(N)=O)c1ncc(-c2ccccc2)o1	160814572	YZAPTGJFKKCVGM-QMMMGPOBSA-N	231.255	2.071	70	20	BEID	
CC[C@@H](CS(=O)(=O)Cl)C(C)(F)F	721840994	LADNCSIDJCMLKT-YFKPBYRVSA-N	220.668	2.236	70	20	BEID	
CCC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1	161443530	MBRSIGKDYHQFAM-CHWSQXEVSA-N	238.375	2.167	70	20	BEID	
C[C@@H](NC[C@H]1CCCOC1)c1cscn1	161160342	SBMABHBEKLGUGY-NXEZZACHSA-N	226.345	2.220	70	20	BEID	
CCO[C@@H](C)c1nccn1C[C@@H]1CCOC1	161467594	BSTYDNJFWZYYLH-QWRGUYRKSA-N	224.304	2.017	70	20	BEID	
CN1CCC[C@@H](CN(C)C2CCCC2)C1	161321251	OWAMQNRFBQNQKB-GFCCVEGCSA-N	210.365	2.203	70	20	BEID	
Cc1cc(C[C@H](C)NC(=O)C2CCCCC2)n[nH]1	161332411	UJRRGVHNZXQOPA-JTQLQIEISA-N	249.358	2.346	70	20	BEID	
CCc1cc(C#N)c(NC(=O)CCl)s1	34428584	SGIIHSYLBNTONC-UHFFFAOYSA-N	228.704	2.359	70	20	BEID	
COC[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)C(C)C	161105320	GAFVXZXCPXCIJJ-RDBSUJKOSA-N	242.407	2.120	70	20	BEID	
COC[C@H](C)Nc1ccn(CCC(C)C)n1	159928441	VJPBBMZASHQNJD-NSHDSACASA-N	225.336	2.376	70	20	BEID	
C[C@@H](CCO)CNC/C=C\c1ccccc1	218033241	YYRLVSBLRXHPSE-UJZCVKTISA-N	219.328	2.308	70	20	BEID	
O=S(=O)(Cl)[C@H]1CCCCC1(F)F	585672694	QFAAPYGYOXQYDL-YFKPBYRVSA-N	218.652	2.133	70	20	BEID	
CCCC[C@@H](C(=O)OC)N(C)CC(C)C	160798522	IOIASFWPFBKLKY-NSHDSACASA-N	215.337	2.306	70	20	BEID	
C[C@@H]1C[C@@H](Nc2cccc(F)n2)CCO1	161308783	JNXWIPGIFBALCY-BDAKNGLRSA-N	210.252	2.200	70	20	BEID	
C[C@@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1	160300927	NSJLZAUVBWZUQZ-SSDOTTSWSA-N	246.232	2.077	70	20	BEID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@@]1(C)CC	160484346	JPDQPDTTXZRNEY-CMPLNLGQSA-N	226.364	2.056	70	20	BEID	
Cc1ccccc1CN(C)Cc1ccnn1C	160524816	GOAAYKFTZFJUBK-UHFFFAOYSA-N	229.327	2.361	70	20	BEID	
COC[C@@H](C)CN[C@@H](C)c1cscn1	161168415	VHCTWBWKFQKPOG-IUCAKERBSA-N	214.334	2.076	70	20	BEID	
NC[C@@H]1CCCN(C/C=C\c2ccccc2)C1	217542523	DZPCSYAGAXXUTP-UVCVVPOWSA-N	230.355	2.371	70	20	BEID	
CCc1nc(CN2CC[C@H](C)C[C@H](C)C2)n[nH]1	159472379	VOFCUFXRBUUVOB-QWRGUYRKSA-N	236.363	2.235	70	20	BEID	
CC(C)C[C@@H](CO)NC(=O)C[C@@H]1CC[C@@H](C)C1	161154663	XCWXOCQRWOXING-UPJWGTAASA-N	241.375	2.336	70	20	BEID	
O=S(=O)(Cl)Cc1ccc(Cl)s1	105281505	VZEZXKFXNDMYSN-UHFFFAOYSA-N	231.125	2.470	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCOC1	159545715	SZENNIUJPRHNGM-TUAOUCFPSA-N	225.332	2.108	70	20	BEID	
Cc1ccc(C(=O)N[C@]2(C)CCOC2)c(F)c1	160210883	ANFUPMDOOUEUEG-CYBMUJFWSA-N	237.274	2.043	70	20	BEID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@]1(C)CC	160484463	JPDQPDTTXZRNEY-JQWIXIFHSA-N	226.364	2.056	70	20	BEID	
CN(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12	159405391	OYCGORYKQQPRJP-UHFFFAOYSA-N	236.702	2.452	70	20	BEID	
CCCCCOc1nnc2ccccn12	159596605	NPYAFHUPPVJDJN-UHFFFAOYSA-N	205.261	2.298	70	20	BEID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)C1CC1	160771420	HXIZDUHHBSSYDD-LBPRGKRZSA-N	237.343	2.395	70	20	BEID	
CCn1ccnc1CN(C)[C@H](C)C1CC1	160854404	CVVLKOMFDHNEPM-SNVBAGLBSA-N	207.321	2.133	70	20	BEID	
CCCCC(=O)N(C)[C@H](CO)Cc1ccccc1	216911258	QKHQEZBRVQJVKM-AWEZNQCLSA-N	249.354	2.239	70	20	BEID	
Cc1cccc([C@@H](C)C(=O)Nc2cn[nH]c2)c1	159773883	HAZHKEBRMSQQKE-SNVBAGLBSA-N	229.283	2.460	70	20	BEID	
Cc1nc(SCc2nnc(C)n2C)oc1C	161018973	LYZDTENIJVMFLZ-UHFFFAOYSA-N	238.316	2.021	70	20	BEID	
CC[C@@H](CSC)Nc1cc(NC)ncn1	217567553	UHRUVWSRILHFBX-QMMMGPOBSA-N	226.349	2.072	70	20	BEID	
COC(=O)c1ccc(N2CCC[C@@H]2C)nc1C	160193530	BEZQQEASWRZXCM-VIFPVBQESA-N	234.299	2.165	70	20	BEID	
CCOCC(=O)N[C@H](C)C1CCCCCC1	160672929	XYFQCRYRSIUDLY-LLVKDONJSA-N	227.348	2.498	70	20	BEID	
CCCn1nc(C)c(C(=O)NC2CC=CC2)c1C	161039838	MEIBPANTZOYKSD-UHFFFAOYSA-N	247.342	2.358	70	20	BEID	
CCNCCNCc1ccc(Cl)cc1	161286571	BFJJZKWAHSNYJI-UHFFFAOYSA-N	212.724	2.039	70	20	BEID	
Oc1ccc(CNc2cncc(Cl)n2)cc1	217480577	AXFIOWIVGHVKKB-UHFFFAOYSA-N	235.674	2.448	70	20	BEID	
CCc1ncnc(N[C@H]2CCCSC2)c1F	218057643	ZOCJBRYTJHSEEY-QMMMGPOBSA-N	241.335	2.486	70	20	BEID	
C[C@H]1CCN(Cc2cc(O)cc(F)c2)C1	159822494	LVZKDJMRQADJPO-VIFPVBQESA-N	209.264	2.373	70	20	BEID	
CC(=O)NC1CCC(NCCCC(C)C)CC1	161254059	XDKXWVMTWMNTEC-UHFFFAOYSA-N	240.391	2.460	70	20	BEID	
CC(C)[C@@H](N)CNC1C2CC3CC(C2)CC1C3	216840509	ZRRMHLIFGIZAHV-BPHCLYMKSA-N	236.403	2.384	70	20	BEID	
CCc1ncnc(NC[C@@H](C)SC)c1F	218077432	PPPWZGPOVZUNIR-SSDOTTSWSA-N	229.324	2.342	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCCCC[C@H]1F	238833329	APFQILICRAHSBO-RNFRBKRXSA-N	214.689	2.226	70	20	BEID	in-vitro
C[C@@H](CCO)Nc1nnc(C(C)(C)C)s1	160658937	LQOAPGUDVVTGPV-ZETCQYMHSA-N	229.349	2.018	70	20	BEID	
CC(C)NC(=O)Nc1cc(Cl)ccn1	217312830	UMIXXTLVUJNBGE-UHFFFAOYSA-N	213.668	2.265	70	20	BEID	
COc1ccc(N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cn1	217903787	KYXPJSARERREHK-DMDPSCGWSA-N	249.358	2.231	70	20	BEID	
c1ccc(NCCCOCC2CC2)nc1	218647706	AAWZGOKKYQUART-UHFFFAOYSA-N	206.289	2.310	70	20	BEID	
CCOCCCC(=O)N[C@H]1CCC[C@@H]1CC	159769161	ALRZCZXORXIVHS-RYUDHWBXSA-N	227.348	2.498	70	20	BEID	
CS[C@H](C)C(=O)NCC1(C2CC2)CC1	159973296	HFGPDFRCVHMXQM-MRVPVSSYSA-N	213.346	2.044	70	20	BEID	
CCCCCCC(=O)N(CC)CCCO	160302484	XQUQONGYJKHCSI-UHFFFAOYSA-N	215.337	2.188	70	20	BEID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(OC)nc1	160808685	GGBGHJWFEBUQSF-FZMZJTMJSA-N	248.326	2.143	70	20	BEID	
CCOC(C)(C)CNc1nnc(C)s1	159528553	SKLFXWBTWDNTSV-UHFFFAOYSA-N	215.322	2.074	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc[nH]c1	159841313	HVRFDAKEAPSILA-ONGXEEELSA-N	206.289	2.323	70	20	BEID	
CC(C)C(=O)NCCCN[C@@H](C)c1ccccc1	159975528	IFFKLRYSPSLXCS-ZDUSSCGKSA-N	248.370	2.500	70	20	BEID	
C[C@@H](CO)N(C)C(=O)C[C@@H]1CCC[C@@H](C)C1	160367017	TUJGWMXIRMJREP-GRYCIOLGSA-N	227.348	2.042	70	20	BEID	
C[C@H](NCc1cccnc1)c1cscn1	161130297	JWIMFUAYBTWSGC-VIFPVBQESA-N	219.313	2.389	70	20	BEID	
C[C@@H](NCC(C)(C)N(C)C)c1cscn1	161135704	RWBXHIWQIQUUPA-SECBINFHSA-N	227.377	2.134	70	20	BEID	
CC(C)OC(=O)c1cc(F)cc(N)c1F	217923540	DFLCARMLUFBCHF-UHFFFAOYSA-N	215.199	2.112	70	20	BEID	
CS[C@@H](C)CNC(=O)c1cc(F)ccc1O	159529661	UJHDJRGHNKOBNI-ZETCQYMHSA-N	243.303	2.013	70	20	BEID	
Cc1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159590625	LSRZHBNRSXVDPZ-UHFFFAOYSA-N	242.278	2.244	70	20	BEID	
c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1	159621121	HCQALCFCCICVSB-MJBXVCDLSA-N	244.338	2.129	70	20	BEID	
CN(CCC(C)(C)C)Cc1cnn(C)c1	161038447	LSSWSVSBZFSDGL-UHFFFAOYSA-N	209.337	2.288	70	20	BEID	
COC(CN1C[C@H](c2ccccc2)C[C@H]1C)OC	161129019	GIBINJGIGLOFIE-TZMCWYRMSA-N	249.354	2.483	70	20	BEID	
CCOc1ccc(CNC(=O)NC2CC2)cc1	217300989	GVFMLRNICYABCJ-UHFFFAOYSA-N	234.299	2.047	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)COCC1CC1	159808045	DVBDMZVZQBCSMQ-NWDGAFQWSA-N	225.332	2.108	70	20	BEID	
C[C@@]1(Nc2nc3ccccc3o2)CCOC1	160075864	WIUVOLXHXSMQPD-GFCCVEGCSA-N	218.256	2.419	70	20	BEID	
CC1=CCN(C(=O)c2ccnc(F)c2)CC1	160173241	SDVIESCGXDJMLQ-UHFFFAOYSA-N	220.247	2.013	70	20	BEID	
CCC(CC)(CC)NC(=O)N[C@H]1CCOC1	159562299	IACDFPDXKWBAKM-JTQLQIEISA-N	228.336	2.043	70	20	BEID	
CN(Cc1cccc(F)c1)Cc1ccnn1C	160466872	JAQNIXYELQHXIN-UHFFFAOYSA-N	233.290	2.191	70	20	BEID	
CCNc1nc(C(=O)NC2CC=CC2)cs1	161383459	WAFZGFZPUVVBBJ-UHFFFAOYSA-N	237.328	2.023	70	20	BEID	
CCCOC(=O)c1cc(F)cc(N)c1F	217925045	RMBUUSCOJORWAY-UHFFFAOYSA-N	215.199	2.114	70	20	BEID	
C[C@@H](CC(=O)N(C)[C@@H](C)CO)C1CCCCC1	160415799	IOHMSPMTNSYIGW-RYUDHWBXSA-N	241.375	2.432	70	20	BEID	
CC[C@@]1(C)CNc2ccccc2C(=O)N1	216637387	OYIWZNSNGTYLPD-LBPRGKRZSA-N	204.273	2.011	70	20	BEID	in-vitro
CCC(CC)NC[C@](C)(O)C(F)(F)F	217043836	MZPGWAPPNCZIFI-QMMMGPOBSA-N	213.243	2.078	70	20	BEID	
CC(C)COCCCCS(=O)(=O)Cl	114257726	GIJRORCBLHNANW-UHFFFAOYSA-N	228.741	2.008	70	20	BEID	
CONC(=O)NCc1ccc(Cl)c(C)c1	159660718	RSFGKTYMQQADAY-UHFFFAOYSA-N	228.679	2.009	70	20	BEID	
CN(C(=O)C1CC=CC1)c1ccc2c(c1)OCO2	160441040	GJHWLEXVBYIQQZ-UHFFFAOYSA-N	245.278	2.344	70	20	BEID	
C[C@H](c1cccs1)N(C)Cc1nncn1C	160800070	WMDNORGGHKFCRA-SECBINFHSA-N	236.344	2.070	70	20	BEID	
CCCNC(=S)N1CC[C@H](C)[C@H](C)C1	160866933	ODRSKCQKULQVEK-VHSXEESVSA-N	214.378	2.249	70	20	BEID	
C[C@H]1CC[C@H](NC(=O)c2c(O)cccc2O)C1	218086863	HDONWMFSBJDDJF-IUCAKERBSA-N	235.283	2.016	70	20	BEID	
CCC(=O)N[C@H]1CCOC2(CCCC2)C1	159926435	ZLHLUAMJLACYSX-JTQLQIEISA-N	211.305	2.004	70	20	BEID	
CCS(=O)(=O)N[C@H](C)C1CCCCCC1	160676411	WBXNEOXNMFRVMY-SNVBAGLBSA-N	233.377	2.285	70	20	BEID	
CN(Cc1cccn1C)C(=O)[C@@H]1CC=CCC1	160851076	ULQPSOQLZQRTLX-GFCCVEGCSA-N	232.327	2.340	70	20	BEID	
CCc1ncc(NC(=O)N(C)CCC2CC2)cn1	161132098	LRMVFXPRUWDVPB-UHFFFAOYSA-N	248.330	2.303	70	20	BEID	
CCN(C)C(=O)c1cc(F)cc2cccnc12	159806177	AFXOSMONUQKELF-UHFFFAOYSA-N	232.258	2.466	70	20	BEID	
CC[C@@H](C)OCC(=O)N(CC)C(C)C	159903325	SAKALGWYZTURMV-SNVBAGLBSA-N	201.310	2.058	70	20	BEID	
CCn1ccnc1CN[C@H](C)C1CCC1	160175965	CVPNYKYBXKOPIE-SNVBAGLBSA-N	207.321	2.181	70	20	BEID	
CCN1CC[C@@H](NCc2ccc(C)nc2)[C@H](C)C1	161278805	JEIPPBRCHRQRJN-IUODEOHRSA-N	247.386	2.210	70	20	BEID	
Cc1cc(C(=O)N[C@H](C)CCC(C)C)ncn1	161409906	UYFKMUCKQIPYGX-SNVBAGLBSA-N	235.331	2.340	70	20	BEID	
CCc1ncnc(NC[C@H]2CCCOC2)c1F	217983551	MHILGZNYQGEMAZ-SECBINFHSA-N	239.294	2.017	70	20	BEID	
CC(C)S(=O)(=O)CCCN1CCCC[C@@H]1C	160497040	AANOHBVRWCPZOM-LBPRGKRZSA-N	247.404	2.074	70	20	BEID	
CC[C@@H]1CCCN(CCn2ccnc2)C1	159722171	UGZDMSKAZIVUNB-GFCCVEGCSA-N	207.321	2.005	70	20	BEID	
CCn1nccc1CNCCCC(C)C	160203935	LCHKYBBVLMTPJW-UHFFFAOYSA-N	209.337	2.429	70	20	BEID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@]1(C)CC	160484231	JPDQPDTTXZRNEY-PWSUYJOCSA-N	226.364	2.056	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnn(CC)c1	159750836	XZLOGDALHNDDBN-JQWIXIFHSA-N	235.331	2.212	70	20	BEID	
CS[C@@H](C)CNC(=O)N[C@H]1C=CCCC1	160273551	JLSKGVFYFFQINR-UWVGGRQHSA-N	228.361	2.146	70	20	BEID	
COCCCn1c(C)nc2c1CCCC2	160734470	WQVQHLWFVLINIV-UHFFFAOYSA-N	208.305	2.107	70	20	BEID	
Cc1ccc(C)c(N(C)Cc2nncn2C)c1	160822682	DURJXOCIYUNPKU-UHFFFAOYSA-N	230.315	2.068	70	20	BEID	
O=S(=O)(Cl)[C@H]1C=CCCCCC1	307977633	KCMRPQGMBORELC-QMMMGPOBSA-N	208.710	2.444	70	20	BEID	
O=C(Nc1ccc(Cl)nc1)[C@H]1CCCCO1	160734185	NAUJAOYNNYLXHB-SECBINFHSA-N	240.690	2.243	70	20	BEID	
CC(C)NC(=O)c1ccc(C(C)C)nc1	160959731	WLKPTRJKVAKQOQ-UHFFFAOYSA-N	206.289	2.343	70	20	BEID	
C[C@H](O)CNC1CCC2(CCCC2)CC1	161362750	JEVRRFSHOYEJET-NSHDSACASA-N	211.349	2.460	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCOC1	159538194	XFEHXZWPLNEHQX-JHJVBQTASA-N	239.359	2.498	70	20	BEID	
CCNC(=O)c1cccc(CN[C@@H](C)CC)c1	160188571	ZLLWESUFZQURSP-NSHDSACASA-N	234.343	2.324	70	20	BEID	
CC(C)CCN(C)C(=O)c1ccncc1F	161388917	LIRZVPQUYXQMPO-UHFFFAOYSA-N	224.279	2.339	70	20	BEID	
COc1cccnc1NCc1ccncc1	159445421	MNOUBVMRYRSATH-UHFFFAOYSA-N	215.256	2.097	70	20	BEID	
CCOCCCC(=O)N[C@H]1CCC[C@H]1CC	159769018	ALRZCZXORXIVHS-NEPJUHHUSA-N	227.348	2.498	70	20	BEID	
CCCC1(CNC(=O)[C@@H]2CCCOC2)CC1	160672735	LAODSQIZLQJEKM-LLVKDONJSA-N	225.332	2.110	70	20	BEID	
CC[C@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCOC1	159538065	XFEHXZWPLNEHQX-AGIUHOORSA-N	239.359	2.498	70	20	BEID	
CCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160759598	PJCNFXDZYNGTJI-LLVKDONJSA-N	225.332	2.395	70	20	BEID	
CCC[C@@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1	160892849	BFBPXSJJVGGNAM-MBNYWOFBSA-N	248.370	2.422	70	20	BEID	
CN(Cc1cccc(F)c1)C(=O)C(F)F	217595173	DFSWMZNPYPUNRB-UHFFFAOYSA-N	217.190	2.049	70	20	BEID	
O=C(NCC1(C2CC2)CC1)C1CCCC1	159929571	YLTRPLZVCNTMTA-UHFFFAOYSA-N	207.317	2.483	70	20	BEID	
C[C@@H](NCc1ccc(CO)o1)C1CCC1	160180460	WKTBYBJWWIARDL-SECBINFHSA-N	209.289	2.050	70	20	BEID	
COCC[C@H](C)N[C@H](C)c1cscn1	161181457	BBQLAXCODXENAE-DTWKUNHWSA-N	214.334	2.219	70	20	BEID	
C[C@@H]1C[C@@H](C)N(Cc2ccc(CO)o2)C1	161296227	DHHLIJIHLWKXAW-NXEZZACHSA-N	209.289	2.002	70	20	BEID	
Cc1nnc(N[C@@H](CO)CC(C)(C)C)s1	161435722	YIGQHCHNPBFGLL-MRVPVSSYSA-N	229.349	2.056	70	20	BEID	
CCCCOCCNc1ncnc(CC)c1F	217993059	UHHYZADDIAIMSA-UHFFFAOYSA-N	241.310	2.407	70	20	BEID	
CC1=CCN(C(=O)c2ccc(C)cc2O)CC1	160229216	BPQYCLOYYLQYLJ-UHFFFAOYSA-N	231.295	2.493	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCCCC[C@@H]1F	238833328	APFQILICRAHSBO-NKWVEPMBSA-N	214.689	2.226	70	20	BEID	in-vitro
C[C@H](NC(=O)c1ccc(F)nc1)C1CCC1	160202176	UXGARFFZRGOLAN-QMMMGPOBSA-N	222.263	2.139	70	20	BEID	
CCOC(=O)CCCCCS[C@@H](C)CO	160710316	GLOUMVPICMELMA-JTQLQIEISA-N	234.361	2.224	70	20	BEID	
CCOCCC1(C(=O)N[C@H](C)C2CC2)CCC1	160778721	ACJZXBAMUBMTJA-LLVKDONJSA-N	239.359	2.498	70	20	BEID	
CCN(C(=O)NCC1(CCOC)CC1)C(C)C	161057985	ODURVVCFWRWBTN-UHFFFAOYSA-N	242.363	2.243	70	20	BEID	
COC(CN1CC[C@H](c2ccccc2)[C@H]1C)OC	161486800	VJWSJLKWJLBTEK-OCCSQVGLSA-N	249.354	2.483	70	20	BEID	
CCc1ncnc(NCc2ccccn2)c1F	217952392	KBVTTWDJXGJMPX-UHFFFAOYSA-N	232.262	2.185	70	20	BEID	
CC[C@H](CCO)Nc1nnc(Cl)c(C)c1C	218138601	SNXUSKNIVPNDME-SECBINFHSA-N	243.738	2.320	70	20	BEID	
C[C@@H]1CCC[C@H](OCCS(=O)(=O)Cl)C1	112356660	IBMBGEOCXQGXSH-BDAKNGLRSA-N	240.752	2.150	70	20	BEID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(C(N)=O)c1	159773129	BPSAPRZOIDISKA-BXUZGUMPSA-N	246.310	2.160	70	20	BEID	
CCN(C(=O)C[C@H](C)SC)C(C)C	160575161	NJZSTYHUWOGZFL-VIFPVBQESA-N	203.351	2.385	70	20	BEID	
COc1cc(C)nc(NCc2ncccc2C)n1	161090891	JINUGVDHSQTVGT-UHFFFAOYSA-N	244.298	2.109	70	20	BEID	
Cc1noc([C@@H]2CCCN2CCC(F)(F)F)n1	218764299	KEVOCLAQNHXSIZ-QMMMGPOBSA-N	249.236	2.467	70	20	BEID	
C[C@H]1C[C@H](Nc2cccc(F)n2)CCO1	161308664	JNXWIPGIFBALCY-DTWKUNHWSA-N	210.252	2.200	70	20	BEID	
CSC[C@H](C)NC(=O)Nc1ccc(C)nc1	161445346	QGDZVTMJVGHWAU-VIFPVBQESA-N	239.344	2.263	70	20	BEID	
CCN(Cc1ccc(C(=O)N(C)C)cc1)C1CC1	159574543	KTIJFCSGRVPNCP-UHFFFAOYSA-N	246.354	2.373	70	20	BEID	
CSC(C)(C)CN[C@H]1CCCOCC1	161465496	VHQIENRIEQDUKU-JTQLQIEISA-N	217.378	2.287	70	20	BEID	
O=S(=O)(Cl)C[C@@H](F)c1ccccc1F	258355279	VDRLLCMODYLJRQ-MRVPVSSYSA-N	240.658	2.405	70	20	BEID	
O=S(=O)(Cl)c1ccc2cnccc2c1	78278480	KWADYKRPIUHOTO-UHFFFAOYSA-N	227.672	2.162	70	20	BEID	
C[C@@H](c1ccccc1)N(C)S(=O)(=O)Cl	106904275	JVXUYDNLLMHMHS-QMMMGPOBSA-N	233.720	2.163	70	20	BEID	
CSC[C@H](C)NCc1cc(O)cc(F)c1	159616979	LUORFMOHWJKCQQ-QMMMGPOBSA-N	229.320	2.372	70	20	BEID	
CCC(=O)Nc1cccc(OCCF)c1	160668293	JHVSIDWLHSRMSW-UHFFFAOYSA-N	211.236	2.383	70	20	BEID	
C[C@H](NC(=O)C(F)F)c1ccc(F)cc1F	217636729	HTSWGVWLIFSITE-YFKPBYRVSA-N	235.180	2.407	70	20	BEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCOC	161296362	KSHKMZSJTKOMJW-NEPJUHHUSA-N	227.348	2.450	70	20	BEID	
COc1cccnc1NCc1ccco1	159447738	IVADFVWQMKXUGY-UHFFFAOYSA-N	204.229	2.295	70	20	BEID	
CC[C@@H](CC(=O)NC[C@@H](C)CO)c1ccccc1	160432043	NBVHLZNMMHPWLS-OLZOCXBDSA-N	249.354	2.315	70	20	BEID	
CCCc1noc(Cn2cnc3c2CCCC3)n1	160722693	VILBLYMRVHOTMT-UHFFFAOYSA-N	246.314	2.146	70	20	BEID	
CCC[C@@H](CC)NC(=O)N1CCC[C@](C)(O)C1	161251453	SDQNBDIYLLLJKY-YPMHNXCESA-N	242.363	2.122	70	20	BEID	
CCOCCN(C)C(=S)Nc1ccccc1	161487071	JNHKBEBNWNDGCC-UHFFFAOYSA-N	238.356	2.352	70	20	BEID	
Cc1ccc(C[C@H](NCCN)C(C)C)cc1	218278260	NPQOWTVRAUZBBW-AWEZNQCLSA-N	220.360	2.110	70	20	BEID	
CN1CCC[C@@H]1CNC(=O)CCC(C)(C)C	160129178	TUAVOKCYIJYNEJ-LLVKDONJSA-N	226.364	2.023	70	20	BEID	
CC[C@]1(C)CCCN(C(=O)[C@H]2CCCNC2)C1	160777661	QIBKSHTZDOFFON-GXTWGEPZSA-N	238.375	2.025	70	20	BEID	
C[C@@H](c1ccco1)N(C)Cc1nccn1C	160868332	BPCIBZFQKDKCIC-JTQLQIEISA-N	219.288	2.206	70	20	BEID	
C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	160893640	FVMNZLSPRBJULV-NEPJUHHUSA-N	248.326	2.311	70	20	BEID	
CC[C@@H](C)[C@@H](C)NC(=O)/C=C/c1cnn(C)c1C	161058144	NWXPYRNKVBXWKP-QSNNZYTBSA-N	249.358	2.293	70	20	BEID	
CCO[C@H](C)c1nccn1C[C@H]1CCOC1	161467992	BSTYDNJFWZYYLH-GHMZBOCLSA-N	224.304	2.017	70	20	BEID	
CC1(COc2ccc(C(C)(C)O)cc2)COC1	216950476	QPZYFWWVIIEXOI-UHFFFAOYSA-N	236.311	2.329	70	20	BEID	
CCOC(C)(C)CNC(=N)Nc1ccccc1	159501279	LBLCWEXDJSEWCJ-UHFFFAOYSA-N	235.331	2.438	70	20	BEID	
COC(=O)c1ccc([C@@H](C)S[C@@H](C)CO)o1	160725194	NENCVPNVWXAIHD-JGVFFNPUSA-N	244.312	2.241	70	20	BEID	
C[C@H](NC(=O)NC1(C)CCC1)c1nccs1	160887292	ANDWTYMYLHQLQV-QMMMGPOBSA-N	239.344	2.446	70	20	BEID	
C[C@H]1CCCC[C@H]1OCC(=O)NC1CC=CC1	160970504	XNSLKXLCXDNUAI-WCQYABFASA-N	237.343	2.417	70	20	BEID	
CCC[C@H]1CCCN(C(=O)[C@@H](N)CC(C)C)C1	161443403	YBFUMRXUHNHRIJ-STQMWFEESA-N	240.391	2.399	70	20	BEID	
CC[C@H](C)N(C)CCNc1nccs1	217366203	SVZJTPMURQQCFN-VIFPVBQESA-N	213.350	2.285	70	20	BEID	
O=C(Nc1ccc2c(c1)CCC2)C(F)F	217656311	GDFHRCIFIIOBBX-UHFFFAOYSA-N	211.211	2.379	70	20	BEID	
C[C@H]1C[C@H](C)CC[C@H]1S(=O)(=O)Cl	222387119	XCTIARNRCCQAQE-GJMOJQLCSA-N	210.726	2.380	70	20	BEID	
CCOCCCN(C)Cc1csc(C)n1	159723018	FTWPHNJLSONUPI-UHFFFAOYSA-N	228.361	2.310	70	20	BEID	
CCCN(CCC)C(=O)c1cc(C)ncn1	161159261	IJJQORZQKFYUDW-UHFFFAOYSA-N	221.304	2.047	70	20	BEID	
CNc1ncccc1C(=O)N[C@@H](C)C1CCC1	159403918	HWZURWKRWHWDAW-VIFPVBQESA-N	233.315	2.042	70	20	BEID	
C[C@@H](CC(=O)N(C)[C@H](C)CO)c1ccccc1	160394475	NKUBXNKGFBPSRP-NWDGAFQWSA-N	235.327	2.019	70	20	BEID	
c1cncc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159661176	FUKRSAMWHQDBHZ-IHRRRGAJSA-N	244.338	2.129	70	20	BEID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(C)n1	159849471	SMYFFTMVCIRWJG-MNOVXSKESA-N	233.315	2.094	70	20	BEID	
CCC[C@@H](C(=O)N[C@H]1CCC[C@@H]1O)C(C)C	159919228	XRYJEVVXLPBHTE-WOPDTQHZSA-N	227.348	2.088	70	20	BEID	
C[C@H]1CCC[C@H](C(=O)N2CCOC(C)(C)C2)C1	160355138	QYXHOUFIPNIESB-RYUDHWBXSA-N	239.359	2.450	70	20	BEID	
O=S(=O)(Cl)c1ccc2c(c1)C=CC2	114992713	GOXVOINIXLKFAD-UHFFFAOYSA-N	214.673	2.183	70	20	BEID	
Cc1cscc1NC(=O)Nc1cnn(C)c1	159930956	PNOLXRFUHPSPEK-UHFFFAOYSA-N	236.300	2.434	70	20	BEID	
CC(=O)c1csc(NC(=O)C2(C)CC2)n1	159966632	SEOWEUMWWLKAOB-UHFFFAOYSA-N	224.285	2.084	70	20	BEID	
COc1cccnc1N[C@@H](C)[C@@H]1CCCO1	160207073	ZOQVHKJTRNFVGK-UWVGGRQHSA-N	222.288	2.070	70	20	BEID	
C[C@H](C(=O)N(C)Cc1cccn1C)C1CC1	160736987	GRAWIJWQXJIJRP-JTQLQIEISA-N	220.316	2.030	70	20	BEID	
C[C@H](N)c1nc([C@@H]2CCC[C@@H](C)C2)no1	161002803	JASYVVQIGGCVKD-HRDYMLBCSA-N	209.293	2.383	70	20	BEID	
O=c1oc2ccccc2n1Cc1nccs1	161220783	BRWGUEFRRZTPME-UHFFFAOYSA-N	232.264	2.099	70	20	BEID	
O=C(CCc1cccnc1)NCC1(C2CC2)CC1	160202550	MAPVKSYQOTXLEZ-UHFFFAOYSA-N	244.338	2.321	70	20	BEID	
CCOc1cccc(NCc2cn(C)nc2C)n1	161112634	NWVNXVLJEABUKP-UHFFFAOYSA-N	246.314	2.134	70	20	BEID	
CCc1ncnc(NCC2(C)CC2)c1F	218055928	YVYQUPOGIRPIQC-UHFFFAOYSA-N	209.268	2.390	70	20	BEID	
CC(C)(N)CNC(=O)[C@H]1C[C@H]1C1CCCCC1	159945806	XNGVITZDUFYWJC-RYUDHWBXSA-N	238.375	2.056	70	20	BEID	
CS[C@@H](C)CC(=O)N(C)C[C@@H]1CCCCO1	160782550	CLEOUUKHRMVRAX-QWRGUYRKSA-N	245.388	2.156	70	20	BEID	
CCO[C@H]1CCCN(C(=O)C[C@@H](C)SC)C1	161097881	LKGIXIHWXDMVPT-MNOVXSKESA-N	245.388	2.156	70	20	BEID	
CC(C)(C)CCC(=O)N[C@H]1CCC[C@H](N)C1	161454828	KVSILEKEQCTIHE-QWRGUYRKSA-N	226.364	2.199	70	20	BEID	
Cc1ccc(C(=O)N[C@@]2(C)CCOC2)c(F)c1	160210995	ANFUPMDOOUEUEG-ZDUSSCGKSA-N	237.274	2.043	70	20	BEID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)C(C)C	160229193	WQYQXUHQWDMWAB-GHMZBOCLSA-N	243.347	2.127	70	20	BEID	
Cc1cnc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1	160336920	XZYYBECDJNFTJW-NWDGAFQWSA-N	233.315	2.155	70	20	BEID	
CCCC1(CNC(=O)CCOCC)CC1	160829293	GNVNDKWVWQIDKD-UHFFFAOYSA-N	213.321	2.110	70	20	BEID	
C[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2O)C1	161307732	VZHCCDPAKBAXMI-NXEZZACHSA-N	219.284	2.263	70	20	BEID	
COC[C@@H](C)NC(=S)N[C@@H]1CCCC[C@@H]1C	217751523	IFIFWLYJHWXWFM-HBNTYKKESA-N	244.404	2.064	70	20	BEID	
CC(C)NCCC(=O)N1CCCC[C@@H]1C(C)C	160424358	FPNFSZMEQCGHMI-CYBMUJFWSA-N	240.391	2.412	70	20	BEID	
CCCC[C@H](CC)CC(=O)NC[C@@H](C)CO	160493969	IVVJGQMVVAZSMI-NEPJUHHUSA-N	229.364	2.338	70	20	BEID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)C1CCCC1)CC2	160535716	QWJNMKXZFDEWMH-GXFFZTMASA-N	248.374	2.070	70	20	BEID	
CC(C)Cn1ccc(C(=O)OC(C)C)cc1=O	161016295	QBIAHXDKRPFPGW-UHFFFAOYSA-N	237.299	2.070	70	20	BEID	
Cc1cc(C(=O)Nc2ccc(C)c(F)c2)ncn1	161181687	GDQHWXQLBXVZPK-UHFFFAOYSA-N	245.257	2.485	70	20	BEID	
CCN(CC)c1cccc(OS(=O)(=O)F)c1	2088600214	JDGQWNFGQACIAA-UHFFFAOYSA-N	247.291	2.126	70	20	BEID	
CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F	159410066	VRNWEXFNAUEDNE-DTWKUNHWSA-N	241.237	2.138	70	20	BEID	
CCC(C)(CC)C(=O)Nc1c[nH]c(=O)c(C)c1	159510403	XLAPQPHSSHHBCC-UHFFFAOYSA-N	236.315	2.448	70	20	BEID	
Cc1cc(NC(=O)C[C@@H]2CC[C@H](C)C2)c[nH]c1=O	159835501	XNCSZMSRDBYVPZ-GXSJLCMTSA-N	248.326	2.448	70	20	BEID	
CC[C@@H](C)CS(=O)(=O)NCC1(C2CC2)CC1	160168000	JUZCFEAOBNIKKI-SNVBAGLBSA-N	245.388	2.142	70	20	BEID	
CCOCCN(CC)Cc1cnc2ccccn12	160240751	LLUXWKCMQPOGAV-UHFFFAOYSA-N	247.342	2.193	70	20	BEID	
C[C@H]1CCC[C@H]1NC(=O)NC1(C)CCC1	160857294	QHDMDFWAFOISEF-VHSXEESVSA-N	210.321	2.417	70	20	BEID	
CCNC(=O)[C@@H](C)c1c(F)cccc1F	161401790	TVLQLTQZAYPVKW-ZETCQYMHSA-N	213.227	2.204	70	20	BEID	
CCNC(=O)[C@H](C)c1c(F)cccc1F	161401928	TVLQLTQZAYPVKW-SSDOTTSWSA-N	213.227	2.204	70	20	BEID	
COc1cccnc1NCc1cccnc1	159448027	HITFDZDAIFPACC-UHFFFAOYSA-N	215.256	2.097	70	20	BEID	
COC[C@H](NC(=O)Nc1ccsc1)C1CC1	160926963	QTEYUAUVCZTRKM-JTQLQIEISA-N	240.328	2.295	70	20	BEID	
C[C@@H]1SCCN(Cc2cnc(N)s2)[C@@H]1C	161286704	WNMWYWUSLQKLDE-SFYZADRCSA-N	243.401	2.051	70	20	BEID	
CCCNC(=O)Nc1ccn(CCC(C)C)n1	159916732	XXWYEPXAUYIASK-UHFFFAOYSA-N	238.335	2.461	70	20	BEID	
C[C@H]1CCC[C@@H]1NC(=O)NC1(C)CCC1	160857010	QHDMDFWAFOISEF-UWVGGRQHSA-N	210.321	2.417	70	20	BEID	
CC(=O)c1cccc(NC(=O)C(F)F)c1	217623918	VIESIWCSSCHCIU-UHFFFAOYSA-N	213.183	2.093	70	20	BEID	
Cn1ccnc1CSc1ccncc1	160022920	PGMVBVIFWYLSFI-UHFFFAOYSA-N	205.286	2.107	70	20	BEID	
Cc1cccc(C(=O)N(C)Cc2cccn2C)n1	160775576	MCSLYNDCSDGNSN-UHFFFAOYSA-N	243.310	2.001	70	20	BEID	
Cc1cscc1C(=O)N[C@H]1CCC[C@@H](N)C1	161270146	RUWFHRLLLLQRQQ-ZJUUUORDSA-N	238.356	2.056	70	20	BEID	
O=S(=O)(NC1CCC1)c1ccc(Cl)cc1	218629617	NENNPUXNQMDIQU-UHFFFAOYSA-N	245.731	2.171	70	20	BEID	
COCCOCCCCNc1ccncc1C	159395383	BCVXWYPGDQCPEW-UHFFFAOYSA-N	238.331	2.245	70	20	BEID	
CC[C@H]1CN(C(=O)[C@H]2CCC[C@H](C)C2)CCO1	159877335	UPYCSCLRLAQSAV-AVGNSLFASA-N	239.359	2.450	70	20	BEID	
CC1(C)COc2cc(S(=O)(=O)Cl)ccc21	536959149	PGFSWVZXPGOZEI-UHFFFAOYSA-N	246.715	2.284	70	20	BEID	
C[C@@H]1CC[C@@H](C)[C@H](S(=O)(=O)Cl)C1	113260876	ILHLYXWWEDBIHU-BWZBUEFSSA-N	210.726	2.380	70	20	BEID	
COC(=O)CCN1CCC[C@@H]1c1cccc(C)n1	159872365	JOBYGROLACRJMA-CYBMUJFWSA-N	248.326	2.090	70	20	BEID	
O=C(NCC1(C2CC2)CC1)c1ccccn1	160080107	OIOBQPFSQMCECB-UHFFFAOYSA-N	216.284	2.002	70	20	BEID	
CCCC1(CNC(=O)c2ccc[nH]2)CC1	160582579	WHQGXFOGGJIPJZ-UHFFFAOYSA-N	206.289	2.325	70	20	BEID	
CC(C)c1ccccc1OS(C)(=O)=O	218651221	XJOSBGCAYBFLRS-UHFFFAOYSA-N	214.286	2.148	70	20	BEID	
CCc1ccc(S(=O)(=O)F)cc1CC	238850985	DORKPTHPNJEVDU-UHFFFAOYSA-N	216.277	2.470	70	20	BEID	
O=S(=O)(Cl)[C@@H]1CCOC2(CCCC2)C1	125801709	ONRQSZDRIMKGQS-MRVPVSSYSA-N	238.736	2.047	70	20	BEID	
CS[C@H](C)CNC(=O)c1ccc(C)cc1O	159529180	CANAJIAFBZJSTP-SECBINFHSA-N	239.340	2.182	70	20	BEID	
CCCCn1ncc(C(=O)NCCC)c1C	159591119	FXUNBNHGIVAYQV-UHFFFAOYSA-N	223.320	2.131	70	20	BEID	
CNC(=O)Nc1cc(C)nc2ccccc12	159712401	KLORUCDAFIWVRH-UHFFFAOYSA-N	215.256	2.295	70	20	BEID	
CO[C@@H](C)C(=O)Nc1cccc(OCCF)c1	160516028	ITSBXKUIBLNSJE-VIFPVBQESA-N	241.262	2.008	70	20	BEID	
Cc1cc(N[C@@H]2CCOC(C)(C)C2)nc(C)n1	160669676	SFWCLXCQJGIWRO-LLVKDONJSA-N	235.331	2.463	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(OC)nc1	160808547	GGBGHJWFEBUQSF-SMDDNHRTSA-N	248.326	2.143	70	20	BEID	
CCOCC(=O)N(C)[C@H]1CCCC[C@H]1CC	161091032	DWZFCGPPSAYPQB-NEPJUHHUSA-N	227.348	2.450	70	20	BEID	
CCNCCNCc1c(F)cccc1Cl	161320427	MJCPBRWSHMSNAU-UHFFFAOYSA-N	230.714	2.178	70	20	BEID	
CC(C)CN1CCC[C@H](c2nnc3n2CCC3)C1	161395440	DEWBUTGVGKGNGR-LBPRGKRZSA-N	248.374	2.060	70	20	BEID	
Cc1cc(C(=O)N(C)C2CCC(C)CC2)ncn1	161444823	HUQPWWGKJYFKOR-UHFFFAOYSA-N	247.342	2.436	70	20	BEID	
Cc1cccc(CN(C)[C@H](C)[C@H](C)O)c1	216984921	DMFNFYACNRMZHI-NEPJUHHUSA-N	207.317	2.196	70	20	BEID	
CCCCCN1C(=O)N[C@](C)(C(C)C)C1=O	159616056	NQINMHHFMAYYHT-GFCCVEGCSA-N	226.320	2.143	70	20	BEID	
Cc1nnc(N[C@@H]2CCO[C@H](C3CC3)C2)s1	160282976	ZPMHFSREXSGEIT-ZJUUUORDSA-N	239.344	2.216	70	20	BEID	
CCCCC(=O)N1CCCN(CCC)CC1	160357819	CYFQRQZHKMXYIY-UHFFFAOYSA-N	226.364	2.121	70	20	BEID	
C[C@H](CO)N(C)C(=O)CCCC(C)(C)C	160530166	XDYHHUOCCGWODO-SNVBAGLBSA-N	215.337	2.042	70	20	BEID	
CCCn1cc(S(=O)(=O)Cl)c(C2CC2)n1	100997923	KLHGQFWYLOQDHR-UHFFFAOYSA-N	248.735	2.098	70	20	BEID	
CCCCS(=O)(=O)N1CC[C@@H](C)C[C@H](C)C1	159709010	ZJKNJBSTQXRYDH-NEPJUHHUSA-N	247.404	2.484	70	20	BEID	
C[C@H]1CCC[C@@H](C)CN1C(=O)[C@@H]1CCCNC1	160935915	FVGBALZWDWSBJH-FRRDWIJNSA-N	238.375	2.023	70	20	BEID	
C[C@@H](NCC1(O)CCCC1)c1cscn1	161196246	CJJSJKFCGRQYDD-SECBINFHSA-N	226.345	2.099	70	20	BEID	
O=S(=O)(Cl)C[C@@H](F)c1ccsc1	1537958833	NYYGHTWLRPUPHD-ZCFIWIBFSA-N	228.697	2.327	70	20	BEID	
Cc1nc(C(C)C)sc1[C@H](C)NCCO	159683214	JQNIUQGUJLNZQK-QMMMGPOBSA-N	228.361	2.218	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccc[nH]1	159827630	XVIINMHMCHNVTG-VHSXEESVSA-N	206.289	2.323	70	20	BEID	
O=C(Nc1ncc(Cl)s1)[C@H]1CCCCO1	159730503	UWQDPVPJSUAMAS-ZCFIWIBFSA-N	246.719	2.304	70	20	BEID	
CCCCCN1C(=O)C[C@]2(CCSC2)C1=O	159837434	XFLOVZQCRQRIEI-LBPRGKRZSA-N	241.356	2.059	70	20	BEID	
CC[C@@H](C(=O)Nc1ncc(Cl)s1)N(C)C	161246226	IFUHVFGEPCSCSC-LURJTMIESA-N	247.751	2.075	70	20	BEID	
CC(C)c1noc(N[C@@H](CO)CC(C)(C)C)n1	161463908	SFGLQNFBSNJURJ-SECBINFHSA-N	241.335	2.402	70	20	BEID	
CN[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1	160597426	XAOFZDRFZDZWCP-OCCSQVGLSA-N	246.354	2.001	70	20	BEID	
CCC(CC)C(=O)N(C)Cc1cccn1C	160669879	BBHUGURVSJZSJS-UHFFFAOYSA-N	222.332	2.420	70	20	BEID	
CC[C@@H](C)N(C)CCNc1nccnc1Cl	218774964	YQUZWRZGZSEPMK-SECBINFHSA-N	242.754	2.272	70	20	BEID	
Cc1cc(C(=O)N(C)C2CCCCC2)ncn1	161401041	FPPBRUZGRCIIKX-UHFFFAOYSA-N	233.315	2.190	70	20	BEID	
CCS(=O)(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217788714	LLSUOVGMVVMNNX-JFGNBEQYSA-N	245.388	2.141	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1cccn1C	160917648	BQPDGGLUPVGXNB-OCCSQVGLSA-N	234.343	2.420	70	20	BEID	
CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(C)cc1C	216638689	SSWLPGXGVLWYOS-BXUZGUMPSA-N	248.370	2.293	70	20	BEID	
C[C@H](O)CCN1CCC[C@@H]2CCCC[C@H]21	216939783	IYZFMXWPKNFSMW-RWMBFGLXSA-N	211.349	2.412	70	20	BEID	
Cc1nccn1CCCN1CCCCC1	160037778	PHGYUUGEISGDDF-UHFFFAOYSA-N	207.321	2.068	70	20	BEID	
CCC(=O)N[C@@H]1CCc2c(OC)cccc21	160231162	OHWRFXQXJMIKSM-LLVKDONJSA-N	219.284	2.209	70	20	BEID	
CCCn1c(C)nnc1CN1CC[C@@H](C)[C@@H]1C	160605634	ARGPDIJNTXYZQJ-MNOVXSKESA-N	236.363	2.227	70	20	BEID	
COC(=O)c1ccc([C@H](C)S[C@H](C)CO)o1	160725060	NENCVPNVWXAIHD-SFYZADRCSA-N	244.312	2.241	70	20	BEID	
COc1ccc(SCc2nnc(C)n2C)cc1	160991494	YVDYITIWHKDVLH-UHFFFAOYSA-N	249.339	2.424	70	20	BEID	
CCNC(=O)NCCCOc1ccc(C)cc1	217297858	KWQKRZQHKSMJHP-UHFFFAOYSA-N	236.315	2.083	70	20	BEID	
O=S(=O)(Cl)Cc1cc(F)c(F)c(F)c1	104944790	TXFSUBZWKFAUSK-UHFFFAOYSA-N	244.621	2.173	70	20	BEID	
CC(C)COCC(C)(C)CS(=O)(=O)Cl	114433388	VPUHZLILEZUBQK-UHFFFAOYSA-N	242.768	2.254	70	20	BEID	
CC[C@@H](Nc1ccc(F)c(OC)c1)C(=O)OC	160077342	LLHUOEXHRMTLPY-SNVBAGLBSA-N	241.262	2.198	70	20	BEID	
CN(CCC1CCCC1)[C@H]1CCCCNC1=O	160297521	RIGJMMMMJZUFFS-ZDUSSCGKSA-N	238.375	2.167	70	20	BEID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccnn1C	160811726	KFQOSNPVPBCYHD-RYUDHWBXSA-N	249.358	2.461	70	20	BEID	
O=S(=O)(Cl)C[C@H](F)c1ccccc1F	258355281	VDRLLCMODYLJRQ-QMMMGPOBSA-N	240.658	2.405	70	20	BEID	
C[C@@]1(C(=O)N2CCCCC2)C[C@H]1Br	140724559	REFSAERIVPOQOF-PSASIEDQSA-N	246.148	2.172	70	20	BEID	
CC(C)N(C)CCNC(=O)CCC(C)(C)C	160179514	ZDCIXKZNZOJEEI-UHFFFAOYSA-N	228.380	2.269	70	20	BEID	
CNC(=O)CN(c1cc(C)ccc1C)C(C)C	160742287	GYDKUQIDLQKHIR-UHFFFAOYSA-N	234.343	2.264	70	20	BEID	
C[C@H]1CCC[C@@H](OCCS(=O)(=O)Cl)C1	112356665	IBMBGEOCXQGXSH-DTWKUNHWSA-N	240.752	2.150	70	20	BEID	
CCCC1(CCC)NC(=O)N(CC(F)F)C1=O	159522506	NGEFRWRXSBLDCH-UHFFFAOYSA-N	248.273	2.142	70	20	BEID	
CC(C)C[C@H](C)NC(=S)NC1CC1	159572647	LSKJUAFUZDPNOW-QMMMGPOBSA-N	200.351	2.048	70	20	BEID	
CCC[C@@H](C)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160245172	FPZAIJWAXPBKOI-UPJWGTAASA-N	238.375	2.166	70	20	BEID	
C[C@H](O)CN(C)[C@@H]1CCCc2ccccc21	159538587	CSADSUUKONBMHO-SMDDNHRTSA-N	219.328	2.377	70	20	BEID	
COc1ncccc1NC(=O)C[C@H](C)SC	159926515	MQUCBTOMNGJKNH-QMMMGPOBSA-N	240.328	2.170	70	20	BEID	
CC(C)CSCCCNC(=O)c1ccon1	160677310	DLKZVRHOBQVQNF-UHFFFAOYSA-N	242.344	2.184	70	20	BEID	
CCc1ncnc(NCCCSC)c1F	218024695	RLAUGMUCSMUYLH-UHFFFAOYSA-N	229.324	2.343	70	20	BEID	
C[C@@H]1C[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160509764	XTLLWXHTTAQXEQ-PSASIEDQSA-N	233.267	2.034	70	20	BEID	
CC[C@@H](SC)C(=O)Nc1cccc(F)n1	160834732	LKOZBEZDDKVTOZ-SSDOTTSWSA-N	228.292	2.301	70	20	BEID	
COC(=O)[C@@H](NC1CC=CC1)c1ccccc1F	160899264	QOGDCKGNOSCYPC-ZDUSSCGKSA-N	249.285	2.348	70	20	BEID	
CSCC[C@@H](C)N[C@H]1CCCOCC1	161454073	IPRJTBLPGQRKSQ-MNOVXSKESA-N	217.378	2.287	70	20	BEID	
COC(=O)c1ccc(NCC2(C)CC2)nc1C	218055733	DRKINTHGNIEUSN-UHFFFAOYSA-N	234.299	2.389	70	20	BEID	
CCc1ncnc(NC[C@@H]2CCCS2)c1F	218066692	PZFRMRRLRFYUGW-QMMMGPOBSA-N	241.335	2.486	70	20	BEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCC(F)(F)F	160897856	DLUTYDQRRISANV-SVRRBLITSA-N	209.211	2.101	70	20	BEID	
CCN(Cc1ccccc1)C(=O)N[C@H]1CCOC1	159367077	QPXYXDMOIQFPCF-ZDUSSCGKSA-N	248.326	2.007	70	20	BEID	
O=C(CSCc1ccccn1)NC1CC=CC1	160987105	XPZJNNXQFYDNRE-UHFFFAOYSA-N	248.351	2.150	70	20	BEID	
CC(C)C[C@@H](CO)N[C@@H](C)c1cscn1	161163704	ACYHWHWHTWHNBD-UWVGGRQHSA-N	228.361	2.201	70	20	BEID	
C[C@H](N[C@H](C)[C@@H]1CCOC1)c1cscn1	161212488	SUBGUORJTNCTKH-KXUCPTDWSA-N	226.345	2.219	70	20	BEID	
CN(CCOCc1ccccc1)C(=O)C1CCC1	159480447	WTLJROLLSFDUTR-UHFFFAOYSA-N	247.338	2.462	70	20	BEID	
CCc1ccc(O)c(NC(=O)[C@H]2CCCCO2)c1	159854693	WGYRHBQKLKHBCT-CYBMUJFWSA-N	249.310	2.462	70	20	BEID	
CS[C@@H](C)CC(=O)Nc1c(C)n[nH]c1C	159922912	RXZMZDGZVDSKEB-LURJTMIESA-N	227.333	2.107	70	20	BEID	
C[C@@H]1C[C@@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160509537	XTLLWXHTTAQXEQ-SCZZXKLOSA-N	233.267	2.034	70	20	BEID	
CCC[C@@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161336821	LMTYCKCBLLMSIR-ZJUUUORDSA-N	237.347	2.202	70	20	BEID	
COc1cc(C)c(S(=O)(=O)F)cc1Cl	105419394	FJQUAULTSNRRQN-UHFFFAOYSA-N	238.667	2.315	70	20	BEID	
CC[C@H](C(=O)Nc1cccc2[nH]ccc12)N(C)C	160270181	YROOMSFNQIVOJJ-CYBMUJFWSA-N	245.326	2.447	70	20	BEID	
COc1cccc(SCc2nncn2C)c1	161022071	HVFNEAOHPFWRHX-UHFFFAOYSA-N	235.312	2.116	70	20	BEID	
COc1cc(C)nc(N[C@@H](C)c2ccccn2)n1	161089832	XDSAZGCRUSKCTF-JTQLQIEISA-N	244.298	2.362	70	20	BEID	
CN(C(C)(C)C)S(=O)(=O)Cc1ccccc1	218613019	ANGVGOGQNYTWJC-UHFFFAOYSA-N	241.356	2.247	70	20	BEID	
CCCCOCCNC(=O)NC1(C)CCC1	160227640	AWSKGSYNHGNACG-UHFFFAOYSA-N	228.336	2.045	70	20	BEID	
C[C@H]1CCN(C(=O)N2CCCC2)C[C@@H]1C	160858962	MVRKWBHEGWBGBH-QWRGUYRKSA-N	210.321	2.180	70	20	BEID	
CCOc1ccc(CNC(=O)N2CCCC2)cc1	217300858	KOHHCIXNKAYXSW-UHFFFAOYSA-N	248.326	2.391	70	20	BEID	
CC(C)C[C@@H](C)NC(=O)NCCCF	160730691	MQRIWDQEJOMEBX-SECBINFHSA-N	204.289	2.080	70	20	BEID	
Cc1cccc([C@H](C)NCC(=O)NC(C)C)c1C	160922909	YEERGSQJCPEUSY-ZDUSSCGKSA-N	248.370	2.479	70	20	BEID	
C[C@H]1C[C@@]1(N)c1ccc(OC(F)F)cc1	161003778	WMEUFUXXKZHCKI-CPCISQLKSA-N	213.227	2.482	70	20	BEID	
O=C(NC1(CO)CCC1)c1ccc(Cl)s1	161099402	PIQNIXNFLASKIC-UHFFFAOYSA-N	245.731	2.046	70	20	BEID	
CCCN(CC1CC1)C(=O)c1cc(C)ncn1	161200842	KYYWTZMMPGACFQ-UHFFFAOYSA-N	233.315	2.047	70	20	BEID	
Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(C)n1	161423831	HPTAIZSYEXVYAF-LLVKDONJSA-N	237.347	2.302	70	20	BEID	
C[C@@H](Cc1cccs1)S(=O)(=O)Cl	103906857	RYQYYJLJLXBMGH-LURJTMIESA-N	224.734	2.248	70	20	BEID	
C[C@H](O)CN(CCOCC1CC1)c1ccccc1	160155770	YUSUZKDDUIPTQW-ZDUSSCGKSA-N	249.354	2.300	70	20	BEID	
CCCC1(CNC(=O)[C@@H](C)OCC2CC2)CC1	160568294	WHROHJMFMWBHRV-LLVKDONJSA-N	239.359	2.498	70	20	BEID	
CCC[C@@H](O)CNCc1nc(C)c(C)s1	217906697	PJPPDBWQXYWIAR-SNVBAGLBSA-N	228.361	2.011	70	20	BEID	
Cc1noc(CN2CC[C@@H]3CCCC[C@@H]32)n1	159585848	RABNZBMIQCZBBB-QWRGUYRKSA-N	221.304	2.143	70	20	BEID	
CN(CCCNC(=O)C1(C)CC1)c1ccccc1	159617577	NUYUIDXVOCAPCW-UHFFFAOYSA-N	246.354	2.429	70	20	BEID	
CC(C)c1ccc(C(=O)NCc2ccc[nH]2)cn1	159786798	ILDQRAUGUKKYHM-UHFFFAOYSA-N	243.310	2.463	70	20	BEID	
CN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1	160597609	XAOFZDRFZDZWCP-TZMCWYRMSA-N	246.354	2.001	70	20	BEID	
CCCSCC(=O)Nc1cccc(F)n1	160815443	WAEGRAAEGYCCJL-UHFFFAOYSA-N	228.292	2.302	70	20	BEID	
CCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161050729	HJPMLWFUOOUKLV-RWMBFGLXSA-N	230.311	2.034	70	20	BEID	
Cc1ccc(OCc2nccs2)nc1	161369910	SFEIQTOOXZJASR-UHFFFAOYSA-N	206.270	2.426	70	20	BEID	
COCCCCNC(=O)c1cccc(C)c1F	161460652	GCCCXCQBBIBINX-UHFFFAOYSA-N	239.290	2.291	70	20	BEID	
CC(C)[C@H](N)CNC1C2CC3CC(C2)CC1C3	216840477	ZRRMHLIFGIZAHV-DUTNFGBUSA-N	236.403	2.384	70	20	BEID	
O=S(=O)(Cl)C[C@H](F)C1CCCC1	259312256	JFNBXSFVDXHZLO-ZETCQYMHSA-N	214.689	2.083	70	20	BEID	
C[C@]1(Nc2cnc3ccccc3n2)CCOC1	159998855	SCAFIQDBLYYMSU-ZDUSSCGKSA-N	229.283	2.221	70	20	BEID	
COCCCCCNC(=O)NC1(C)CCC1	160303842	NDQWKERXRQFOOW-UHFFFAOYSA-N	228.336	2.045	70	20	BEID	
Cc1ccc(CCC(=O)N(C)[C@H](C)CO)c(C)c1	160463804	LAJIYFNIGDAPMF-CYBMUJFWSA-N	249.354	2.075	70	20	BEID	
C[C@@H](NCc1cccnc1)c1cscn1	161130424	JWIMFUAYBTWSGC-SECBINFHSA-N	219.313	2.389	70	20	BEID	
CC(C)=CCN1CCN(Cc2ccncc2)CC1	161198217	SXSILCPLOMWPBG-UHFFFAOYSA-N	245.370	2.165	70	20	BEID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cccn1	161277029	HNGWBPWGHLJBIS-STQMWFEESA-N	249.358	2.310	70	20	BEID	
COc1ccc(CS(=O)(=O)Cl)cc1C	105294134	VSEMIGACJBBQDM-UHFFFAOYSA-N	234.704	2.072	70	20	BEID	
CCC[C@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159371192	QYUTUQHEFRRWSY-QMMMGPOBSA-N	222.288	2.058	70	20	BEID	
Cc1ccccc1CN(C)C(=O)C(F)F	217596623	UNVYKBVXIGONJR-UHFFFAOYSA-N	213.227	2.219	70	20	BEID	
CCc1ncnc(NC[C@H]2CCCS2)c1F	218066766	PZFRMRRLRFYUGW-MRVPVSSYSA-N	241.335	2.486	70	20	BEID	
CC(C)CN(CC(C)C)C(=O)N[C@H]1CCOC1	159472934	FRKDUAHPEIVOIU-LBPRGKRZSA-N	242.363	2.099	70	20	BEID	
CC[C@]1(C)C[C@H]1C(=O)Nc1cccnc1	160713089	INWWXTNPXLZPTJ-CMPLNLGQSA-N	204.273	2.456	70	20	BEID	
CCOc1ccc(CN(C)C(=O)C(F)F)cc1	217594288	PZBHAQSEKGDTNZ-UHFFFAOYSA-N	243.253	2.309	70	20	BEID	
CC(C)(COC1CCC1)CS(=O)(=O)Cl	114433450	SQLDOORBCTXCOC-UHFFFAOYSA-N	240.752	2.150	70	20	BEID	
CC(C)(N)CNC(=O)C(C)(C)Cc1ccccc1	160004020	KFSFATROZGMLPI-UHFFFAOYSA-N	248.370	2.109	70	20	BEID	
CCC(CC)CNC(=O)N[C@@H](CC)COC	160549753	NYEQWLYPSHMULE-NSHDSACASA-N	230.352	2.147	70	20	BEID	
COCC(C)(C)C(=O)Nc1nc2ccccc2[nH]1	160650340	GCASOYCPRGIJOO-UHFFFAOYSA-N	247.298	2.174	70	20	BEID	
C1COCC[C@H](NCC2CCSCC2)C1	161444844	AFKSLZCDLBIYRH-GFCCVEGCSA-N	229.389	2.288	70	20	BEID	
O=C(CCl)NCCc1cc2ccccc2[nH]1	167238277	SZDWYKDUVQMHMH-UHFFFAOYSA-N	236.702	2.065	70	20	BEID	
CCC[C@H](N)C(=O)N1CC[C@@H](CC(C)C)C1	159611971	CQLICJFRIVETHI-RYUDHWBXSA-N	226.364	2.008	70	20	BEID	
CN(Cc1cccn1C)C(=O)C(C)(C)C	160591595	LXOFIHNPHBSDHY-UHFFFAOYSA-N	208.305	2.030	70	20	BEID	
CN(Cc1nccn1C)c1ccc(F)c(F)c1	160837554	YQATUIANKMCDSH-UHFFFAOYSA-N	237.253	2.335	70	20	BEID	
COCc1noc(-c2cccn2C(C)C)n1	160854873	MHGCXMDVCGGWMY-UHFFFAOYSA-N	221.260	2.265	70	20	BEID	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C(C)(C)N	160903155	DKFMDNXGWFYDQV-WCQYABFASA-N	246.354	2.128	70	20	BEID	
CC[C@@H](CSC)Nc1nc2ccccn2n1	217382248	HMLABLGZWIQDFW-VIFPVBQESA-N	236.344	2.283	70	20	BEID	
C[C@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)Cl	222386988	ILHLYXWWEDBIHU-CSMHCCOUSA-N	210.726	2.380	70	20	BEID	
C[C@@H]1CCC[C@@H](S(=O)(=O)Cl)[C@@H]1C	113260885	PYBCZNMLRBRLMA-BWZBUEFSSA-N	210.726	2.380	70	20	BEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)OCC1CC1	159635439	UGZYMPRVHPFVNJ-RAIGVLPGSA-N	239.359	2.496	70	20	BEID	
Cn1cccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	159641355	HSKFYXDNTJFDAP-IHRRRGAJSA-N	246.354	2.072	70	20	BEID	
CC(C)[C@H](C)CC(=O)NCC1(N)CCCCC1	159763653	LGSALWJFGHOVQY-GFCCVEGCSA-N	240.391	2.446	70	20	BEID	
CC(C)c1ccc(C(=O)Nc2nncs2)cn1	160345721	DRQGTRDPCFNJTH-UHFFFAOYSA-N	248.311	2.309	70	20	BEID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)C	160654129	TYWRQWKIBYUDJA-DTWKUNHWSA-N	209.314	2.248	70	20	BEID	
CCC[C@@H](CC)NC(=O)[C@H]1CCn2ccnc2C1	160874904	MJVUAOOXJIUALC-NWDGAFQWSA-N	249.358	2.140	70	20	BEID	
CCOC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C	216800163	VHNWLPBZIPWUSY-SECBINFHSA-N	245.319	2.195	70	20	BEID	
CC(C)[C@H](N)C(=O)N[C@@H](C)[C@H](C)c1ccccc1	160894035	KYDXVOMPPKTLMN-OBJOEFQTSA-N	248.370	2.278	70	20	BEID	
CCCCOCCNC(=O)C[C@H](C)SC	161403310	ZMHGCWZGXRIYDK-JTQLQIEISA-N	233.377	2.061	70	20	BEID	
C[C@@H](CC(=O)NCC(C)(C)N)C1CCCCC1	160093447	MAQLWNWVWOSRTE-NSHDSACASA-N	240.391	2.446	70	20	BEID	
Cc1cc(C)nc(N[C@@H]2CCOC(C)(C)C2)n1	160670183	KRMJOHRWIAKEBV-LLVKDONJSA-N	235.331	2.463	70	20	BEID	
C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1CO)C(C)(C)C	218007087	WFNHKJXLUSXNSA-QJPTWQEYSA-N	241.375	2.336	70	20	BEID	
CCOCCNC(=O)C(C)(C)C1CCCC1	160011829	YSQJXGVMYJYPHM-UHFFFAOYSA-N	227.348	2.356	70	20	BEID	
CC[C@@H](COC)N[C@H](C)c1cscn1	161206695	GBOSCALCVYZZHM-BDAKNGLRSA-N	214.334	2.219	70	20	BEID	
CC[C@H](C)CS(=O)(=O)Cc1nccs1	161213662	ZPAUPGKIZIDEPV-QMMMGPOBSA-N	233.358	2.104	70	20	BEID	
Cc1ccc(NC(=O)NC[C@@H]2CCCCO2)cn1	161489165	GHUMFTCOZOHBNF-LBPRGKRZSA-N	249.314	2.081	70	20	BEID	
C[C@@H](O)C[C@@H](CNC(=O)C1CC1)c1ccccc1	159600455	BUKNOUBBEXPURH-RISCZKNCSA-N	247.338	2.067	70	20	BEID	
CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC1(C)C	160721585	OMACBLCVWZEPQS-MNOVXSKESA-N	225.332	2.060	70	20	BEID	
CC(C)[C@H](C)N[C@H]1CCN2CCCC[C@@H]12	217674711	VVKIWVAPNZKHNN-AVGNSLFASA-N	210.365	2.247	70	20	BEID	
CC1(CNc2nc(C(C)(C)C)ns2)COC1	159458621	ZQOYHIXCEBVWBP-UHFFFAOYSA-N	241.360	2.284	70	20	BEID	
CC[C@@H](O)CN1CCC[C@@H]1c1cccc(C)n1	159703792	HMDFLBMVRGBPQU-TZMCWYRMSA-N	234.343	2.298	70	20	BEID	
CC[C@H]1CCC[C@H]1NC(=O)CCCn1ccnc1	159846070	PJSZLUDCZVHAMS-QWHCGFSZSA-N	249.358	2.358	70	20	BEID	
C[C@@H](CC1CCCC1)C(=O)N(C)[C@H](C)CO	160451146	VAGPZLIOXFYNKV-WDEREUQCSA-N	227.348	2.042	70	20	BEID	
Cc1ccccc1OCCS[C@H](C)CO	160706439	OCWXIAHIWUAISR-LLVKDONJSA-N	226.341	2.488	70	20	BEID	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)ncn1	161480849	KEDIUODKTBGESE-MWLCHTKSSA-N	233.315	2.094	70	20	BEID	
CNc1snc(C)c1C(=O)OCCC1CC1	217709437	OBAZTBLHFYVNKS-UHFFFAOYSA-N	240.328	2.450	70	20	BEID	
CCc1ncnc(NCCCCCOC)c1F	217997605	MAHMZDORYWIDQQ-UHFFFAOYSA-N	241.310	2.407	70	20	BEID	
CCc1ncnc(S[C@@H](C)[C@H](C)O)c1F	218049131	XHUVUOAYPBTHTK-BQBZGAKWSA-N	230.308	2.040	70	20	BEID	
C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCN	218191247	BYBPKBHEGSDMQW-SECBINFHSA-N	246.276	2.185	70	20	BEID	
CCCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159671150	AINFCGLUBBEXPU-LLVKDONJSA-N	225.332	2.395	70	20	BEID	
Cc1cccc(NCc2cn(C)nc2C)n1	160477069	MBIGIQISJFBJCI-UHFFFAOYSA-N	216.288	2.044	70	20	BEID	
COc1ccc(C)cc1[C@@H](C)NC(=O)C(F)F	218684218	SJFPDEIWFUUXII-MRVPVSSYSA-N	243.253	2.446	70	20	BEID	
O=C(CC1CCOCC1)NCC1(C2CC2)CC1	160208233	YUDJRIGJOWWXRB-UHFFFAOYSA-N	237.343	2.110	70	20	BEID	
O=C(OC[C@@H]1CCCO1)c1cnccc1Cl	161406298	XXGUGPAYQPULBK-QMMMGPOBSA-N	241.674	2.071	70	20	BEID	
C[C@@H]1CCCC[C@H]1OCCS(=O)(=O)Cl	112155167	BBSAUENVZIJLSN-RKDXNWHRSA-N	240.752	2.150	70	20	BEID	
O=C(Nc1ccc(Cl)cn1)[C@H]1CCCCO1	160087210	AAYSGCHBRSLSMV-SECBINFHSA-N	240.690	2.243	70	20	BEID