smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)OC(=O)c1cccc(CBr)n1	118701685	KNINFJIIRCTTJJ-UHFFFAOYSA-N	272.142	2.932	70	20	CFID	
CCOC(=O)[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F	161003873	KXKBFJFSYYCVLW-RNCFNFMXSA-N	271.307	2.957	70	20	CFID	
CSC[C@@](C)(O)CNCc1ccc(C(F)(F)F)cc1	217856178	VEXBZUUDMIZLOO-LBPRGKRZSA-N	293.354	2.909	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)c1cncc(-c2ccccc2)c1	161114299	AUDVKPDAPPTHIY-QGZVFWFLSA-N	298.386	2.885	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1	161357472	RZDWMMNSNAGIDA-BBRMVZONSA-N	292.398	2.605	70	20	CFID	
CC[C@@H]1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1	160078889	HPYGDGOMZGREDS-CQSZACIVSA-N	298.390	2.838	70	20	CFID	
C[C@H](Sc1ccccc1Cl)C(=O)NC[C@@H](C)CO	160427689	VDIPIAMJSAJRSS-ZJUUUORDSA-N	287.812	2.565	70	20	CFID	
CCc1nnc(C[S@@](=O)c2ncc(C(C)(C)C)s2)o1	160487539	OGTJKIPCXGTUCD-IBGZPJMESA-N	299.421	2.694	70	20	CFID	
CCCC1(CNC(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)CC1	160697079	JPPJAHCJPUGPOS-QWHCGFSZSA-N	281.396	2.662	70	20	CFID	
CCc1oc2ccccc2c1CN(C)Cc1nncn1C	160719893	VKFFKUIEVNFNMQ-UHFFFAOYSA-N	284.363	2.756	70	20	CFID	
CC(C)NC(=O)CN[C@@H]1c2cccc(F)c2CC[C@H]1C	160914948	FCUCKEVGLNOIOF-BZNIZROVSA-N	278.371	2.563	70	20	CFID	
COC(C)(C)C[C@H](C)NC(=O)[C@H](C)[C@H](N)c1ccccc1	160966548	KPFSLHDREJERLQ-GUTXKFCHSA-N	292.423	2.642	70	20	CFID	
C[C@@H](NC(=O)C[C@H]1CCCN1)c1ccc(F)cc1Cl	159630801	YNRQCVQSBDAMBF-MWLCHTKSSA-N	284.762	2.798	70	20	CFID	
Cc1nccc(NC(=O)NCCC2CC2)c1Cl	159917225	SKVXKFMWVVOGPV-UHFFFAOYSA-N	253.733	2.965	70	20	CFID	
Cc1ncc([C@H](C)N[C@@H]2CCCSC2)c(C)n1	159562445	RCDLUEWKRDQYKV-CMPLNLGQSA-N	251.399	2.640	70	20	CFID	
C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)N1CCCC1	159715067	CDIPJRHWPQQINT-OBJOEFQTSA-N	276.380	2.504	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1cc2ccc(F)cc2s1	218050575	NMZUHLMDSHXKEY-ZYHUDNBSSA-N	293.363	2.931	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)S(=O)(=O)Cl	103906942	AVLLFDQORICNAI-ZETCQYMHSA-N	253.150	2.840	70	20	CFID	
CCCc1cc(C(=O)N[C@H]2CCc3c(OC)cccc32)[nH]n1	160058711	CAQDSMSTMRSFGQ-AWEZNQCLSA-N	299.374	2.788	70	20	CFID	
COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCCO1	160217691	NKPWLOLRVLEVOA-DOMZBBRYSA-N	277.364	2.750	70	20	CFID	
Cc1nc(COC(=O)c2scnc2C)c(C)s1	160262129	YLRCLHGVMMHYNP-UHFFFAOYSA-N	268.363	2.882	70	20	CFID	
Cc1ccc([C@@H](C)NCCN2CCC(N(C)C)CC2)cc1	160279446	PYCXVOQZFAZUJQ-MRXNPFEDSA-N	289.467	2.672	70	20	CFID	
CCSCC[C@H](C)Nc1nc2ccccn2n1	160331491	PUYWPPBVEQVYAS-JTQLQIEISA-N	250.371	2.673	70	20	CFID	
Cc1ccc(CC(=O)Nc2cccc(OCCF)c2)cn1	160527539	AQFYLYAOPSHNPX-UHFFFAOYSA-N	288.322	2.920	70	20	CFID	
CCc1nc(CN[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n[nH]1	160545698	MSMQTEBSCDJIQB-XQQFMLRXSA-N	264.417	2.918	70	20	CFID	
CCN(C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H](C)C(C)C	160758382	MPMATAHIOSAYOW-ZFWWWQNUSA-N	281.444	2.547	70	20	CFID	
CC/C=C(/C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160786318	LWMWDQCBOWWPDQ-YHYXMXQVSA-N	299.367	2.665	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCCN(C(C)=O)C1	160799596	QSTKHAOHGISXDK-BZUAXINKSA-N	294.439	2.672	70	20	CFID	
CC(C)CNC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	160974758	OAQANXZYJVPIMX-OAHLLOKOSA-N	292.423	2.744	70	20	CFID	
C[C@@H](CCO)CNC(=O)[C@H](C)Cc1ccccc1Cl	159607048	PMUCXEXQGUHXNU-NWDGAFQWSA-N	283.799	2.653	70	20	CFID	
Cc1cc(NC(=O)C(C)(C)c2ccccc2)c[nH]c1=O	159620603	JSBZFOCYZQVYJF-UHFFFAOYSA-N	270.332	2.600	70	20	CFID	
CN(C)c1cccc([C@@H]2CCCN2CCn2ccnc2)c1	159851147	WIXHDPNMSWZNFA-KRWDZBQOSA-N	284.407	2.786	70	20	CFID	
CCCCOc1ccccc1NC(=O)C[C@@H]1COC(=O)C1	159463366	GMZGVWPVECOHKB-LBPRGKRZSA-N	291.347	2.757	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N[C@H](C)Cc1ccc(C)s1	159663939	OZVILQXQBHIUML-WDEREUQCSA-N	289.466	2.953	70	20	CFID	
CC(C)=CCOc1ccc(CC[C@H](C)NCCO)cc1	159680537	GLBMNTCXVMJEGN-HNNXBMFYSA-N	277.408	2.935	70	20	CFID	
COC(=O)c1ccc(N2Cc3ccccc3C2)nc1C	159552199	AEVPSWDXAJEUIS-UHFFFAOYSA-N	268.316	2.697	70	20	CFID	
CSc1ccc(Cl)c(C(=O)N(C)[C@H](CN)C2CC2)c1	159867419	SUNFLRZCZJHNEH-CYBMUJFWSA-N	298.839	2.871	70	20	CFID	
CCSCC[C@H](C)NC[C@H](O)COc1ccccc1C	160147154	UJJJNQLFGREYHH-GJZGRUSLSA-N	297.464	2.856	70	20	CFID	
COc1ccc2c(c1)[C@H](NCC1(CO)CCCC1)CC2	160115194	FBKUTCKAZMNIJK-MRXNPFEDSA-N	275.392	2.825	70	20	CFID	
C=CCCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1338400179	HLJAWYCLDCWFNN-NSHDSACASA-N	299.367	2.819	70	20	CFID	
CCO[C@H](C)C(=O)N[C@@H]1CCCc2sccc21	160141072	OARHZMKQJDGOSP-MWLCHTKSSA-N	253.367	2.667	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)c1ccc(F)cc1	160279249	AXHFPIQVWAUXNV-NWDGAFQWSA-N	295.354	2.777	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)c1ccc2nncn2c1	160457839	JESQSLRGVOTXDY-GFCCVEGCSA-N	298.371	2.598	70	20	CFID	
CN(C)c1ccnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1	160660860	XOVQQALBXJXSRF-LSDHHAIUSA-N	298.390	2.875	70	20	CFID	
CCn1ccnc1CN1C[C@@H](C)O[C@H](c2ccccc2)C1	160850834	FYUOQVVRVWMFBW-ZBFHGGJFSA-N	285.391	2.865	70	20	CFID	
COc1ccc(NC(C)=O)c(NC(=O)C[C@H](C)SC)c1	160883730	JBKCZJYIXNINFY-VIFPVBQESA-N	296.392	2.734	70	20	CFID	
Cn1cc(Cl)cc1C(=O)NCC1(C2CC2)CC1	159835704	SQRIQIMYNMPVSN-UHFFFAOYSA-N	252.745	2.599	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)Nc2cccc(NC(N)=O)c2)C1	159502494	WTNHBKNWQZICQL-QWRGUYRKSA-N	275.352	2.942	70	20	CFID	
O=C(Cc1ccc(F)cc1)N[C@@H]1CCOC2(CCCC2)C1	159921651	SJMQUDAOPIDZAV-OAHLLOKOSA-N	291.366	2.976	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(-c2ccco2)on1	159939214	SYRNKLPQAJWHMF-UHFFFAOYSA-N	272.304	2.855	70	20	CFID	
COCCNC(=O)Nc1cccc(N2CCC(C)CC2)c1	159742751	FDPNADPSLAIDLE-UHFFFAOYSA-N	291.395	2.691	70	20	CFID	
CC[C@H](NCCCN1CCCC1=O)c1ccccc1	159492277	PZIHUXVLQOSYFB-HNNXBMFYSA-N	260.381	2.740	70	20	CFID	
COc1cc(NCc2c(C)nn(C)c2C)ccc1F	160061337	DUOKBHDAYYGQPO-UHFFFAOYSA-N	263.316	2.797	70	20	CFID	
CC(C)CO[C@@H]1C[C@H](NCC2(CO)CCCC2)C1(C)C	160106443	CMVOORDXYHSJQC-LSDHHAIUSA-N	283.456	2.968	70	20	CFID	
NCCN1CCC(c2ccccc2Br)CC1	217245054	DGMJEKNUVXNHBL-UHFFFAOYSA-N	283.213	2.587	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	864239065	UUSXXNZBDZMLHI-GFCCVEGCSA-N	299.367	2.750	70	20	CFID	
CC1(C)CC[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241175	MEVBSALUYGGBHQ-LLVKDONJSA-N	299.367	2.653	70	20	CFID	
CC[C@H](C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318684	WGKUYPPQFQDFCK-QMMMGPOBSA-N	291.319	2.610	70	20	CFID	
C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CC(C)(C)O1	160485668	WPJBNIIQIWGFIN-JTQLQIEISA-N	275.339	2.838	70	20	CFID	
COc1ccc(NCc2nnc3n2CCCC3)c(C)c1	217319025	XCAAZUAQWDXCJD-UHFFFAOYSA-N	272.352	2.544	70	20	CFID	
CC1CCC(OCCCCS(=O)(=O)Cl)CC1	114257661	DFBXZXHDBDTAOK-UHFFFAOYSA-N	268.806	2.931	70	20	CFID	
CC[C@@H](N[C@H](CCO)c1ccccc1)[C@@H]1CCOC1	161067825	VIOZBXJLDJHQIX-BZUAXINKSA-N	263.381	2.515	70	20	CFID	
CCOC(=O)c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1	160342211	DDSKPGXFCSOFGT-UONOGXRCSA-N	290.363	2.628	70	20	CFID	
CC1=C(C(=O)NCCCN(C)c2ccccc2)CCCO1	160354130	YHDYVSZNBGTTGY-UHFFFAOYSA-N	288.391	2.714	70	20	CFID	
CC[C@@H](N[C@H](C(N)=O)C(C)C)c1ccc(F)cc1F	160897308	SMKCYINFONRYFN-OLZOCXBDSA-N	270.323	2.515	70	20	CFID	
CSc1cc(C(=O)N2CCOCC2(C)C)ccc1F	159604388	MWUQPKKLHFHWIU-UHFFFAOYSA-N	283.368	2.799	70	20	CFID	
CCOCCCCNC(=O)Nc1ccn(CCC(C)C)n1	159812905	UTOZKPNYMYQMLU-UHFFFAOYSA-N	296.415	2.867	70	20	CFID	
CCN(CC)CCNC(=O)N[C@H](C)c1cccc(F)c1F	159645230	ODXGKXSGSOPORD-LLVKDONJSA-N	299.365	2.667	70	20	CFID	
CC[C@@H](COC)NC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C	159856933	URVNBDALMXAQTQ-ZDEQEGDKSA-N	256.390	2.535	70	20	CFID	
CO[C@@H](C(=O)N1C[C@H](C)Oc2ncccc21)c1ccccc1	159686012	ZLMAKROHPGVKCM-SWLSCSKDSA-N	298.342	2.583	70	20	CFID	
CCC(C)(CC)C(=O)Nc1ccc(CNC(N)=O)cc1	159512017	VGAIPDOFSLMNIF-UHFFFAOYSA-N	277.368	2.620	70	20	CFID	
CC[C@@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	159959787	PEFIJAKMAQNJGL-BHYGNILZSA-N	286.419	2.923	70	20	CFID	
C[C@@H]1Cc2ccc(F)cc2[C@H]1NCCCN1CCCC1=O	159590072	DPPWIWQERBZFTL-PXAZEXFGSA-N	290.382	2.661	70	20	CFID	
O=C(NCc1cccc(O)c1)NCC1(C2CC2)CCC1	159593555	HHNQSFOVEJIAFT-UHFFFAOYSA-N	274.364	2.772	70	20	CFID	
Cc1ccc(SCC(=O)NCC2(N)CCCCC2)cc1	159457919	PLLHFEXFDNCXSJ-UHFFFAOYSA-N	292.448	2.865	70	20	CFID	
C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nncn1C	160758806	ZKIOEUUULCCMEU-JTQLQIEISA-N	264.760	2.662	70	20	CFID	
CCC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)F)c1	1338259659	FFIXVCGUHXYMAX-LLVKDONJSA-N	287.356	2.653	70	20	CFID	
O=C(Oc1ccc(Cl)cc1F)[C@@H]1CCCCO1	160031009	ZYEWHCWSGZXQPS-NSHDSACASA-N	258.676	2.954	70	20	CFID	
CSC[C@@](C)(O)CNC(=O)c1ccc(C(C)C)cc1	217630247	FNXLTSKTVKSMLX-HNNXBMFYSA-N	281.421	2.654	70	20	CFID	
CC[C@H](N[C@H](CCO)c1ccccc1)[C@@H]1CCOC1	161067710	VIOZBXJLDJHQIX-OWCLPIDISA-N	263.381	2.515	70	20	CFID	
Cc1nnc(C(=O)N[C@H]2CCCc3sccc32)s1	161169900	HIGOSVZTFSYINA-VIFPVBQESA-N	279.390	2.715	70	20	CFID	
Cc1noc(NC(=O)CCc2c[nH]c3c(C)cccc23)n1	161248348	IRVFAQDXMDDQQU-UHFFFAOYSA-N	284.319	2.739	70	20	CFID	
CC(=O)NC1CCC(NCC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1	161369543	MKRDAUCISFWAAX-ZXDRNQKISA-N	278.440	2.850	70	20	CFID	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@@H]1CCCN1	161385551	XRBMSHORXHVCBE-IRXDYDNUSA-N	288.435	2.917	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N(C)C[C@H](O)C1CC1	161466772	HDWRLFSHODRCSJ-OCCSQVGLSA-N	270.417	2.615	70	20	CFID	
Cc1cc(C)c(C(=O)NC[C@H]2CCCN2CC(C)C)o1	160516189	RIGMRUAVYAKEGQ-CQSZACIVSA-N	278.396	2.747	70	20	CFID	
CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCCC1(C)C	159606160	GBFNVCNWBMUFLV-AWEZNQCLSA-N	283.460	2.937	70	20	CFID	
C[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(F)cc1F	159626416	GTDOVYMQWCLAHA-MEBBXXQBSA-N	298.333	2.582	70	20	CFID	
CC(C)[C@@H](O)C(C)(C)CNC(=O)NCC1(C(C)C)CC1	159648295	WWWMJLBKQZLPHN-CYBMUJFWSA-N	284.444	2.765	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H](C)C2CC2)cc1F	159363206	VMMWMVZWDFXBES-VIFPVBQESA-N	251.301	2.843	70	20	CFID	
CC[C@@H](NCCN(C)CCOC)c1ccc(F)cc1F	159376251	IGAIOCUFQMCWHS-OAHLLOKOSA-N	286.366	2.584	70	20	CFID	
Cc1ccc(Cl)c(S(=O)(=O)NCc2ccncc2)c1	159563407	OVQCJDAMACDRBM-UHFFFAOYSA-N	296.779	2.522	70	20	CFID	
CCCn1nccc1CNc1ccc2c(c1)OCCO2	159964633	PDPIIMOVBSMBKJ-UHFFFAOYSA-N	273.336	2.676	70	20	CFID	
CCn1nccc1CN[C@H](C)Cc1ccccc1F	160108507	YHNHLMHOHYACQC-GFCCVEGCSA-N	261.344	2.763	70	20	CFID	
CCn1nc(C)c(CN[C@@H]2CCOC(C)(C)C2)c1C	160560398	VJXRHPYSULDDOV-CYBMUJFWSA-N	265.401	2.567	70	20	CFID	
Cc1ccccc1CNC(=O)NCCc1ccc(O)cc1	217313724	MZQSHDHGOWRENE-UHFFFAOYSA-N	284.359	2.743	70	20	CFID	
CCCCCCNC(=O)c1cccc(S(=O)(=O)F)c1	1262673471	OOIUTSGWNPQBBG-UHFFFAOYSA-N	287.356	2.655	70	20	CFID	
Cc1cc([C@H](C)NCC(=O)NC(C)C)cc(C)c1F	161002209	JILLFFXRIWBQFU-LBPRGKRZSA-N	266.360	2.618	70	20	CFID	
CCc1ncc(NC(=O)N(C2CC2)[C@H](C)C2CC2)cn1	161187433	OQAUVNXTUWYMTF-SNVBAGLBSA-N	274.368	2.834	70	20	CFID	
CCO[C@@H](CCNC(=O)Nc1ccc(C)nc1)C(C)C	161325975	AQIUXHLXQOVWFX-AWEZNQCLSA-N	279.384	2.963	70	20	CFID	
C[C@@H]1C[C@@H](NCCOc2cccc(Cl)c2)CCN1C	160251210	IDSVQEDFPVHUIS-OCCSQVGLSA-N	282.815	2.791	70	20	CFID	
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccn(C)c1	160294018	SNBLGBLSOXKCMX-OAHLLOKOSA-N	289.423	2.959	70	20	CFID	
O=C(NCC1(CO)CCCC1)[C@@H]1CCCc2ccccc21	160297639	AIJSLLLXASHWHE-MRXNPFEDSA-N	287.403	2.775	70	20	CFID	
CC[C@H](C)NCc1ccc(CN2CCN(CC)CC2)cc1	160323915	ZYEYTMYYAJDJNI-INIZCTEOSA-N	289.467	2.712	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C)n(C2CC2)c1C	160537703	JFLTYOLVZPCQEG-JTQLQIEISA-N	292.379	2.511	70	20	CFID	
Cc1ccc(C)c([C@@H](C)NCCNC(=O)c2ccco2)c1	160712214	SYVZSYZYCGUMBI-CQSZACIVSA-N	286.375	2.977	70	20	CFID	
CCn1ccnc1CN1CCN(c2cccc(C)c2)CC1	160726202	OUSAAJDYOIFKCV-UHFFFAOYSA-N	284.407	2.534	70	20	CFID	
CC[C@H](C)OCC(=O)N(C)c1ccc(F)c(F)c1	160743147	VUUTYJMGMLMCDX-VIFPVBQESA-N	257.280	2.743	70	20	CFID	
COc1cccc([C@@H](CNC(=O)C2=CCCC2)N(C)C)c1	159649257	QLBMVDLZERXARA-MRXNPFEDSA-N	288.391	2.524	70	20	CFID	
Cc1cc(C)c(C(=O)NCCCN2CCCCCC2)[nH]1	159658124	FGTSPZNUVYXKFM-UHFFFAOYSA-N	277.412	2.627	70	20	CFID	
Cc1ccccc1[C@H](NC(=O)[C@@H]1CCCNC1)C(C)C	159689974	JXDMYDOHMFEQBZ-GDBMZVCRSA-N	274.408	2.808	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159716567	LDNIMBRCQPPYDU-QLFBSQMISA-N	292.448	2.519	70	20	CFID	
Cc1nc(NC(=O)c2ccsc2)cc(C2CC2)n1	159922963	ISCHPINGTIKBRN-UHFFFAOYSA-N	259.334	2.976	70	20	CFID	
C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccn1	159391211	QOBWZCSANSFBAD-XJKSGUPXSA-N	281.359	2.538	70	20	CFID	
COc1ccc(C(=O)NN2[C@H](C)CCC[C@H]2C)c(F)c1	218441923	IMUQDNNMLIREDR-GHMZBOCLSA-N	280.343	2.742	70	20	CFID	
CCSCc1ccc(C(=O)NC[C@H](C)CCO)cc1	161015632	VOJLFTFYTKTOMY-GFCCVEGCSA-N	281.421	2.688	70	20	CFID	
CCOCCCCNC(=O)C[C@@H](C)c1ccncc1	160139839	CDAMSWSCXVDOHB-CYBMUJFWSA-N	264.369	2.508	70	20	CFID	
NC(=O)CC[C@@H]1CCCN(CCC2CCCC2)C1	160329701	JSCJDKSENJERPS-AWEZNQCLSA-N	252.402	2.544	70	20	CFID	
CC[C@@H](CN[C@H](CC)COC)Oc1ccccc1F	160334846	WFGJNLSADLUECE-OLZOCXBDSA-N	269.360	2.998	70	20	CFID	
CCCN1CCCN(C(=O)c2ccc3ncccc3c2)CC1	160373116	SCJFJIQEOGEFTK-UHFFFAOYSA-N	297.402	2.793	70	20	CFID	
C[C@H]1C[C@H](NC[C@@H](C2CCCCC2)N(C)C)CCN1C	160392062	DFZNPADUUZNZCQ-UAGQMJEPSA-N	281.488	2.569	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H](C)CC1CCCC1	160462644	ONUMBDCUOFWJIM-GFCCVEGCSA-N	254.418	2.837	70	20	CFID	
CN(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CCCCC1	160539010	HIWINWYMXDSHPI-UKRRQHHQSA-N	280.412	2.918	70	20	CFID	
CC[C@@H](C)OCC(=O)N1C[C@H](C)Oc2cc(C)ccc21	160744144	ZWPWQCVHMLLBOL-OLZOCXBDSA-N	277.364	2.924	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)on1	160768266	KQDSPOCUCSREOJ-GFCCVEGCSA-N	278.352	2.595	70	20	CFID	
CCn1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cn1	160828002	OIQBMJKDLBUJKR-CQSZACIVSA-N	291.395	2.515	70	20	CFID	
O=C(CC[C@@H]1CCOC1)N[C@H]1CCOC2(CCCCC2)C1	160934213	YVROJERHMKTFBL-CABCVRRESA-N	295.423	2.801	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)CC2CC2)n1	160987793	DHRAJHKOTTUKCE-UHFFFAOYSA-N	270.336	2.773	70	20	CFID	
CCNC(=O)c1ccc(C)c(NC(=O)C[C@H](C)SC)c1	159675021	VHNOZKWFGIWZNQ-NSHDSACASA-N	294.420	2.825	70	20	CFID	
COC(=O)CCCC(=O)O[C@@H](C)c1nc2ccccc2o1	159885901	JXLOTDNMGPTEDJ-JTQLQIEISA-N	291.303	2.775	70	20	CFID	
CCc1ncc(C(=O)NCC2(C3CC3)CC2)s1	159725154	ONIGFEDMTZCPPR-UHFFFAOYSA-N	250.367	2.626	70	20	CFID	
Cc1ccc(CNC(=O)[C@H]2CCC(=O)C[C@@H]2C)c(C)c1	159778379	ZJIBQRVLCCRRGR-BBRMVZONSA-N	273.376	2.925	70	20	CFID	
Cc1ccc(CS(=O)(=O)CCc2c(C)noc2C)cc1	159587252	DCFAIEXVXPBAAV-UHFFFAOYSA-N	293.388	2.757	70	20	CFID	
CO[C@@H](C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159983761	CYYILSQJWQKPGR-BBRMVZONSA-N	284.359	2.631	70	20	CFID	
CC[C@H]1CCN(C(=O)C[C@H]2CNc3ccccc32)C1	159625862	MAFSFZCBMOJINR-STQMWFEESA-N	258.365	2.844	70	20	CFID	
Cc1ccc(NC(=O)N2CCc3ncncc3C2)cc1C	218069018	DZLUWGBDTVWUJQ-UHFFFAOYSA-N	282.347	2.684	70	20	CFID	
CC(C)C(=O)NCCCN[C@H](C)c1ccc(F)cc1	159981359	NJBAEUCFDJLPGL-GFCCVEGCSA-N	266.360	2.639	70	20	CFID	
CCC[C@H](COC(C)(C)C)CS(=O)(=O)Cl	114476596	NHBOJBPFRXGCEV-SECBINFHSA-N	256.795	2.786	70	20	CFID	
CC(C)c1nccc(N[C@@H](CC(N)=O)C2CCCCC2)n1	161410894	DUWMKDIIZWQQIR-ZDUSSCGKSA-N	290.411	2.836	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CC[C@H](N)C1	161414028	QIMODDQJTWDESI-STQMWFEESA-N	272.348	2.519	70	20	CFID	
CC(C)c1ccc(C(=O)NC[C@@]2(C)CCCC[C@H]2O)cn1	160222069	ZINATKPQJCWQQI-NVXWUHKLSA-N	290.407	2.876	70	20	CFID	
CC(C)n1cccc1C(=O)NCc1ccc2c(c1)OCO2	160446470	WVBRVKQDURCYAJ-UHFFFAOYSA-N	286.331	2.728	70	20	CFID	
CCc1ccc(CNC(=O)N2CCO[C@@H](C)[C@H]2C)s1	160473846	RGQOREMAYGOBRW-MNOVXSKESA-N	282.409	2.629	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1CCCS1)c1c(C)noc1C	160517402	RNBQFPCOLCKOHU-GHMZBOCLSA-N	268.382	2.754	70	20	CFID	
Cc1cccc(-n2ccnc2SCc2nnc(C)n2C)c1	160992071	NLUHBRIQLLAKFW-UHFFFAOYSA-N	299.403	2.910	70	20	CFID	
Cc1cc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)ccn1	159923944	BIRYOXHQKQKTGR-UHFFFAOYSA-N	297.358	2.600	70	20	CFID	
C[C@@H](NC(=O)[C@@H]1CCC[C@@H](N)C1)c1ccc(F)cc1	159873691	REFVJHQCXBKCTD-MPKXVKKWSA-N	264.344	2.520	70	20	CFID	
CCCC1(CNC(=O)NCCCC(=O)OCC)CCC1	160536471	JLIOCMXDJDSZJU-UHFFFAOYSA-N	284.400	2.599	70	20	CFID	
O=C1c2ccccc2C(=O)N1CCCSCCCF	161185746	SOAKZVAEXLVALW-UHFFFAOYSA-N	281.352	2.766	70	20	CFID	
O=C(NCCC1CCCCC1)NCc1ccc(CO)cc1	217305261	BEVIBABSQPHQSO-UHFFFAOYSA-N	290.407	2.949	70	20	CFID	
Cc1ccc(NC(=O)C2CC=CC2)cc1S(=O)(=O)F	857675347	KMZARWRKDIGDSZ-UHFFFAOYSA-N	283.324	2.558	70	20	CFID	
CC(C)CCCNC(=O)c1ccc(S(=O)(=O)F)cc1	865205440	LVJHSRMEJPAGHL-UHFFFAOYSA-N	287.356	2.511	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1336921167	OAHHLTCBEAVLCO-GFCCVEGCSA-N	299.367	2.750	70	20	CFID	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC1CCN(C(N)=O)CC1	218159782	XTTBUKHZYMKGOZ-YUELXQCFSA-N	281.444	2.580	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)N[C@H](CO)CC(C)C	160838559	XNGWQBQOMGQGSC-ZFWWWQNUSA-N	285.428	2.638	70	20	CFID	
COC[C@H](O)CCNC(=O)CC1CCC(C(C)(C)C)CC1	161020515	CVDFABICNGBTFB-YMAMQOFZSA-N	299.455	2.743	70	20	CFID	
CCCC[C@H](NC(=O)[C@]1(C)CCCO1)C(=O)OC(C)(C)C	161205642	HRBLRXLTDQZHDV-LRDDRELGSA-N	299.411	2.572	70	20	CFID	
Cc1n[nH]cc1NC(=O)Nc1ccn(CCC(C)C)n1	161279065	WKGRTLWAQRXPIS-UHFFFAOYSA-N	276.344	2.605	70	20	CFID	
CC1=C(C(=O)N2CCc3sccc3C2)CCCO1	161279536	URWLMDHRPUZVHR-UHFFFAOYSA-N	263.362	2.717	70	20	CFID	
CN1CC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1	160101600	UAENLXUOGYQNPS-KGLIPLIRSA-N	266.429	2.661	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)CC2	160321656	KESIIMOMAVDQKX-BBRMVZONSA-N	298.434	2.857	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc2ccccc2n1C	160384022	PWYATTCLTSCDFU-UHFFFAOYSA-N	281.359	2.789	70	20	CFID	
CN(C(=O)c1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2	160413772	IDZWSTBPKYWBQH-UHFFFAOYSA-N	297.310	2.627	70	20	CFID	
Cc1nccc(CNC(=O)C(C)(C)C2CCCC2)n1	160546963	QUEKQXNSVAIBIZ-UHFFFAOYSA-N	261.369	2.618	70	20	CFID	
CCOCCC1(C(=O)NCc2cccs2)CCC1	160652967	PVBPXXORUYGOSI-UHFFFAOYSA-N	267.394	2.961	70	20	CFID	
CN[C@@H]1CCN(C(=O)c2ccccc2SC(C)C)C1	160695289	WNUSCFBMDBJITO-GFCCVEGCSA-N	278.421	2.621	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccccn2)cc1F	159464802	IZWARTZVPLRGGZ-UHFFFAOYSA-N	260.268	2.506	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@@H]1c1ccsc1	161454783	QXVRLTOQLAMUOU-CYBMUJFWSA-N	287.450	2.710	70	20	CFID	
CCN(CCn1ccnc1)Cc1c(F)cccc1F	159790381	NRYLGCCSXWUYJL-UHFFFAOYSA-N	265.307	2.683	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1nnc(C(F)(F)F)s1	161022201	SQWBGCPOXYARTI-CDUCUWFYSA-N	279.287	2.932	70	20	CFID	
Cc1nc(O)ccc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1	161065965	AHYJSDAOVLYYBN-UHFFFAOYSA-N	294.314	2.738	70	20	CFID	
CC[C@H](C(=O)N1CCC2(CCCCC2)C1)N(C)C	161086004	RTBUFNJYGUUYOM-CYBMUJFWSA-N	252.402	2.509	70	20	CFID	
CCCN(Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1	161092651	MLFBAUUISWSWQY-AWEZNQCLSA-N	299.411	2.533	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@@H](C)Oc1ccccc1C	161245306	UDSCDPJVVGWCRY-CQSZACIVSA-N	292.423	2.644	70	20	CFID	
O=C(c1c[nH]nn1)N1CCCC[C@H]1CCCc1ccccc1	161265969	NQRHXFZXWRMCRY-HNNXBMFYSA-N	298.390	2.822	70	20	CFID	
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCn2ccnc2C1	161328730	JNKKZNNALSWPCE-KFWWJZLASA-N	289.423	2.921	70	20	CFID	
CCOCCC1(CNC(=O)N[C@@H](C)CC(C)C)CC1	161342062	PVLVBOHFUGVXFY-ZDUSSCGKSA-N	270.417	2.927	70	20	CFID	
CCN(C(=O)NCCCC(=O)OC(C)C)[C@H](C)C(C)C	160093770	LRIYBDOHSGLKKD-CYBMUJFWSA-N	286.416	2.794	70	20	CFID	
OCC1(CNCc2ccc(-n3cccn3)cc2)CCCC1	160119185	PBXIXBUHUCMTRT-UHFFFAOYSA-N	285.391	2.515	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)o1	160421816	YTPASTQOPFHZDV-VRZZLATASA-N	290.407	2.796	70	20	CFID	
Cc1cc(NC(=O)C[C@H](C)c2ccncc2)ccc1C(N)=O	160435092	DJGXXZPCBMTOGX-NSHDSACASA-N	297.358	2.621	70	20	CFID	
CC(C)CSCCCNC(=O)CC[C@@H]1CCOC1	160733712	YTLWZTLEWLMFNJ-CYBMUJFWSA-N	273.442	2.699	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1	160777790	UZHWYGPDGNDEKL-GZBFAFLISA-N	286.485	2.755	70	20	CFID	
Cc1cccc(F)c1NS(=O)(=O)c1cn(C(C)C)cn1	160835452	MRLDEHWQAHVLNI-UHFFFAOYSA-N	297.355	2.712	70	20	CFID	
Cc1nc2ccc(NC(=O)[C@H]3CCCCO3)cc2o1	160839636	YKTFRYQEWNJMBY-GFCCVEGCSA-N	260.293	2.644	70	20	CFID	
COC(C)(C)C[C@@H](C)NC(=O)COc1cc(C)ccc1F	160901135	ZHIDKFXVCOVVOP-GFCCVEGCSA-N	297.370	2.833	70	20	CFID	
CCC(CC)(CC)CNC(=O)N(C)Cc1cnn(C)c1	159935359	IMSLUZDHYBDPRX-UHFFFAOYSA-N	280.416	2.778	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(CNCC(C)C)n1	159973977	HRGNOWUSYKVMDQ-OAHLLOKOSA-N	289.379	2.941	70	20	CFID	
C[C@@H](c1ccccc1)N1CCN(c2ccncc2)CC1	161353318	JZYBEMTTZPUUAC-HNNXBMFYSA-N	267.376	2.965	70	20	CFID	
Cc1nccc(NC(=O)NCCN(C)C(C)C)c1Cl	159631049	LLABVNMMXGGFPK-UHFFFAOYSA-N	284.791	2.505	70	20	CFID	
COCC[C@H](C)N[C@H](CCCO)c1ccccc1	160874493	SJQZIVRQSJWRPX-DZGCQCFKSA-N	251.370	2.515	70	20	CFID	
CCCn1c(C)nnc1COc1ccccc1NC(C)=O	161186712	WLGQDJRDHKFBQB-UHFFFAOYSA-N	288.351	2.534	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1	161282106	ADZJYZGFBHAASG-WDEREUQCSA-N	293.436	2.896	70	20	CFID	
CCO[C@H](CC)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	161483768	LEWJUAYWSUFTDG-FPCVCCKLSA-N	273.376	2.504	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2CCCOC2)cc1Cl	160179847	SIYKTXIPSOXAGX-JTQLQIEISA-N	283.755	2.738	70	20	CFID	
Cc1nc(Cl)cc(N2CCC[C@@H]2CN2CCCCC2)n1	160445284	UZQYBOSOJDCOBF-CYBMUJFWSA-N	294.830	2.893	70	20	CFID	
COc1ccccc1SCC(=O)NCCc1ccco1	160549433	JJTLQNPTVBVBPJ-UHFFFAOYSA-N	291.372	2.739	70	20	CFID	
CCOc1ccc([C@H]2CCCN2Cc2nncn2C)cc1	160714254	ZWGYEVUGLMNYLU-OAHLLOKOSA-N	286.379	2.551	70	20	CFID	
CCCc1ncc(C(=O)Nc2cccc(F)n2)s1	160743743	JCODXXMBOUKWDA-UHFFFAOYSA-N	265.313	2.882	70	20	CFID	
O=C(C[C@H]1CCCCO1)N[C@@H]1CCOC2(CCCCC2)C1	160744136	SQCJMUNREQZVCA-HUUCEWRRSA-N	295.423	2.944	70	20	CFID	
Cc1nc(SCc2nncn2C)n(CC(C)C)c1C	160996453	DVUYPQTVQKXPGS-UHFFFAOYSA-N	279.413	2.577	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc(C(C)C)nn1C	159831627	APZAACWVMPNMMF-NWDGAFQWSA-N	263.385	2.852	70	20	CFID	
COc1cc(NC(=O)N(C)[C@@H]2CCSC2)cc(OC)c1	159394470	HGYCZSDYWIKFBP-LLVKDONJSA-N	296.392	2.673	70	20	CFID	
C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O	159425750	KRGUFMNNFMHFHE-MFKMUULPSA-N	273.298	2.908	70	20	CFID	
CCCCc1ccc([C@H](C)N[C@H](C)CC(N)=O)cc1	161359515	JRHKFPYIDJDOMM-OLZOCXBDSA-N	262.397	2.944	70	20	CFID	
CN(Cc1ccccc1)CC(C)(C)NCC1=CCCOC1	159397179	MJTPREHEVZUNCW-UHFFFAOYSA-N	288.435	2.833	70	20	CFID	
CC(C)CCO[C@@H]1CCN(CCCN2CCCCC2)C1	161404661	RYFPNSIKVYFEEG-QGZVFWFLSA-N	282.472	2.999	70	20	CFID	
O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)F)cc1	864238553	LVKXZLQFBBOFFT-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1O	161083680	NMOUNGNSBHNARB-SJORKVTESA-N	285.391	2.608	70	20	CFID	
CC[C@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1	161085950	CJXGPJCCYYYRKD-LBPRGKRZSA-N	299.378	2.746	70	20	CFID	
CC(C)Oc1cncc(C(=O)N(C)CC(C)(C)C)c1	161092544	JKVJTJYEBABWRD-UHFFFAOYSA-N	264.369	2.987	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)COc2ccc3ccccc3c2)C1	161188519	GEVHBDIBAQXVFD-HZPDHXFCSA-N	298.386	2.605	70	20	CFID	
CNC[C@H]1CCCN1C(=O)[C@H](C)Sc1ccc(C)cc1	161305273	JXGRJSGMOBKKCS-UONOGXRCSA-N	292.448	2.686	70	20	CFID	
CS[C@H]1CCC[C@@H](NC(=O)NC2(C)CCC2)C1	161342601	PDJMYWYGMADSNU-MNOVXSKESA-N	256.415	2.902	70	20	CFID	
Cn1nccc1CSc1nnc(Cc2cccs2)o1	161366226	CENZSSRPZVSCTQ-UHFFFAOYSA-N	292.389	2.748	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1ccccc1Cl	160005204	MHMSWTKSZBPCBO-LLVKDONJSA-N	297.782	2.731	70	20	CFID	
CCCCNC(=O)c1ccc(CN[C@@H](CC)COC)cc1	160117338	HIXFJBDTIDFUKI-INIZCTEOSA-N	292.423	2.731	70	20	CFID	
CC[C@@H](NCCN(C)Cc1ccc(F)cc1)[C@@H]1CCOC1	160135567	HYINQECMUWEGFT-NVXWUHKLSA-N	294.414	2.662	70	20	CFID	
CC(C)Oc1ccc(C(=O)NCC2(CO)CCCC2)cc1	160290478	WLBLYQBVZYSKMR-UHFFFAOYSA-N	291.391	2.756	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H](C)CC1CCCC1	160462520	ONUMBDCUOFWJIM-LBPRGKRZSA-N	254.418	2.837	70	20	CFID	
C[C@H]1C[C@@H](NC2CCN(C3CCCC3)CC2)[C@H](C)CN1C	160477529	WQFFVTFWECRWJF-RVKKMQEKSA-N	293.499	2.712	70	20	CFID	
Cc1cccc(OCCCC(=O)N[C@H](CCO)C(C)C)c1	160663683	TZHYVBCVPJHQGE-MRXNPFEDSA-N	293.407	2.677	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCC1CCCCC1	160788282	UGNIKCKJAKEMID-GFCCVEGCSA-N	269.385	2.805	70	20	CFID	
Cc1ccncc1NC(=O)c1cccc2[nH]cnc12	159413739	CBVCEKRJYAOSQC-UHFFFAOYSA-N	252.277	2.519	70	20	CFID	
COc1ccsc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159630493	DDEKINWJULUWQB-LLVKDONJSA-N	295.404	2.978	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	159640145	JFYDGEHRRFJFMU-IJLUTSLNSA-N	284.400	2.595	70	20	CFID	
Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)c(C)s1	159709907	HPMPBIDLTDVXKN-UHFFFAOYSA-N	262.334	2.614	70	20	CFID	
CC[C@@H](NC(=O)CCCn1ccnc1)c1c(C)noc1C	159972277	HANXZBUCQBQPFF-CYBMUJFWSA-N	290.367	2.536	70	20	CFID	
COc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159597953	XGHVOCUPRGLLBM-XHSDSOJGSA-N	273.376	2.742	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@H]1c1ccccc1	161319085	XABIRUYGJXMGJK-HNNXBMFYSA-N	281.421	2.648	70	20	CFID	
Cc1ccc(CNC(=O)NCCc2ccc(O)cc2)cc1	217315113	SXRKVJZADFGKFV-UHFFFAOYSA-N	284.359	2.743	70	20	CFID	
Cc1ccc([C@@H](O)Cn2cnc3c2CCCC3)cc1	216923527	YIYQIQNFQCJOMR-INIZCTEOSA-N	256.349	2.804	70	20	CFID	
C[C@H](Nc1nc(C(C)(C)C)ns1)c1cnn(C)c1	159620909	XOHGLIGFSCTKEX-QMMMGPOBSA-N	265.386	2.742	70	20	CFID	
O=C(NCC1CC1)[C@@H]1C[C@H]1c1cccc(F)c1F	159642910	PAEJUQUQWJSKFC-WDEREUQCSA-N	251.276	2.595	70	20	CFID	
CCO[C@H]1C[C@@H](NCc2cnn3ccccc23)C1(C)C	217871331	GGKBAJIKXNLARV-CABCVRRESA-N	273.380	2.628	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCN(C(C)C)CC1	161111220	MVDISTYJVZIEDS-KBPBESRZSA-N	292.448	2.713	70	20	CFID	
CO[C@@H](C)c1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1	161170339	XFHJOAQDTYYEQO-JSGCOSHPSA-N	299.374	2.792	70	20	CFID	
CC(=O)NC1CCC(NCCCC2CCCC2)CC1	161203250	SYKBOHIBCHRHHM-UHFFFAOYSA-N	266.429	2.994	70	20	CFID	
C1CCc2c(Cn3nc(C4CC4)nc3C3CC3)noc2C1	161459438	QLNBPCOHFYSYCD-UHFFFAOYSA-N	284.363	2.948	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)C[C@@H]1COC(=O)C1	160117277	NQJVDPYMSCJFTC-NWDGAFQWSA-N	292.331	2.561	70	20	CFID	
COc1ccc([C@H](C)NCC2(CO)CCCC2)cc1OC	160085236	MROLHIGEPCXAMG-ZDUSSCGKSA-N	293.407	2.907	70	20	CFID	
OCC1(CNCc2cc3ccccc3nc2O)CCCC1	160088791	BLTQZSKGOOUTEA-UHFFFAOYSA-N	286.375	2.583	70	20	CFID	
CCc1nc(CN[C@@H](C)c2cccc(N3CCCC3)c2)n[nH]1	160511537	LCVLSBJRLMEEJB-ZDUSSCGKSA-N	299.422	2.818	70	20	CFID	
Cc1cccnc1NC(=O)c1ccc(C(=O)NC(C)C)cc1	160745947	HGBXGENEFZQVHL-UHFFFAOYSA-N	297.358	2.781	70	20	CFID	
COCC[C@@H](C)N[C@@H](CCCO)c1ccccc1	160874357	SJQZIVRQSJWRPX-HIFRSBDPSA-N	251.370	2.515	70	20	CFID	
CC(C)(CO)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	160915790	RBOGNDVVSVAFFM-AWEZNQCLSA-N	293.407	2.678	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C	159824144	MEJPBNQDUIMAOP-AAEUAGOBSA-N	262.353	2.536	70	20	CFID	
CO[C@H](C(=O)N1C[C@@H](C)Oc2ncccc21)c1ccccc1	159686159	ZLMAKROHPGVKCM-DOMZBBRYSA-N	298.342	2.583	70	20	CFID	
COC[C@H](NC(=O)Nc1ccc(OC)cc1C)C1CC1	159906488	IFFANAQUZVMTQU-AWEZNQCLSA-N	278.352	2.550	70	20	CFID	
CCC(CC)NC(=O)[C@@H](C)Sc1ccncc1	159922653	LSGFEJYKPBNNSR-SNVBAGLBSA-N	252.383	2.867	70	20	CFID	
CCN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(F)c1F	159534456	NITTZVMLKRPZSJ-MNOVXSKESA-N	284.350	2.872	70	20	CFID	
CCc1noc([C@@H](C)N(C)OCc2ccccc2)n1	159631802	MRXTYDCNPPWZHU-LLVKDONJSA-N	261.325	2.757	70	20	CFID	
CCCN(CC)CCNCc1ccc2cc[nH]c2c1	217645178	SQVAAEQNTDZKKQ-UHFFFAOYSA-N	259.397	2.989	70	20	CFID	
O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@@H]1CCCNC1	161071533	AEAJQJPNNBMCCA-CYBMUJFWSA-N	290.411	2.786	70	20	CFID	
Cc1noc([C@@H]2COCCN2Cc2c(C)cccc2C)n1	161149932	ZLEPLBIGGHYXNO-HNNXBMFYSA-N	287.363	2.568	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1Cc1ccc(C)s1	161253927	RISWUFFRRVKLHC-ZDUSSCGKSA-N	267.394	2.974	70	20	CFID	
CCOc1ccc(NC(=O)N2CCC[C@](C)(O)C2)c(C)c1	159606370	PJJWATMONBPGKG-INIZCTEOSA-N	292.379	2.772	70	20	CFID	
CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCNC2)cc1	159608121	LSTCHSURKJXLER-QGZVFWFLSA-N	288.435	2.858	70	20	CFID	
CCOc1cc(N[C@@H]2CCCc3cc(N)ccc32)ncn1	159484920	JPRDZZDTZWNZOD-CQSZACIVSA-N	284.363	2.947	70	20	CFID	
Cc1cc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)ncn1	159561660	WQLPSRPJHVUUHS-INIZCTEOSA-N	298.390	2.652	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@H]2CCCCO2)c1C	159977603	MGCXPXWZKIYVJK-CYBMUJFWSA-N	294.399	2.682	70	20	CFID	
CCCCc1ccc(C(=O)N[C@@H](CC)CCO)cc1	160137046	FOXARYORUHESCT-HNNXBMFYSA-N	263.381	2.920	70	20	CFID	
CCCN(CC)CCN[C@@H](C)Cc1ccc(O)cc1	217659440	UGOSUWWEYGIGLK-AWEZNQCLSA-N	264.413	2.645	70	20	CFID	
CCCN(Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1	161092501	MLFBAUUISWSWQY-CQSZACIVSA-N	299.411	2.533	70	20	CFID	
Cc1cc(C)cc(CS(=O)(=O)Cc2nccs2)c1	161213385	FQWMIZUELCIXBG-UHFFFAOYSA-N	281.402	2.875	70	20	CFID	
O=c1[nH]c(-c2ccc3c(c2)CCO3)nc2ccsc12	160327610	ROGAHYJJJKSWMB-UHFFFAOYSA-N	270.313	2.587	70	20	CFID	
N[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1	160677807	XLJVKWKHANBTSF-DGCLKSJQSA-N	292.354	2.680	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccncc1F	160787812	QTIPLTNAFOKDSY-LBPRGKRZSA-N	292.354	2.832	70	20	CFID	
CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1CCCNC1	160945794	KYIXHUYDMDTUQU-GFCCVEGCSA-N	276.380	2.802	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1	159618249	MFWCRVCWAPRLAI-RISCZKNCSA-N	290.363	2.712	70	20	CFID	
CC(=O)N1CCc2cc(C(=O)NCC3(C4CC4)CC3)ccc21	159673865	YIXWMASBJPIJLM-UHFFFAOYSA-N	298.386	2.516	70	20	CFID	
COc1ccc([C@@H](CCC(C)C)NCCO)cc1	159677929	VUURSZBHQFPDEO-OAHLLOKOSA-N	251.370	2.754	70	20	CFID	
CCCC[C@H](COC)Nc1ccc(C(=O)OC)c(C)n1	159882849	PLGURZKPFIDYLJ-GFCCVEGCSA-N	280.368	2.794	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2ccc(C)s2)[nH]n1	159936324	YOMXTUSMQFJVHR-UHFFFAOYSA-N	299.421	2.923	70	20	CFID	
CC(C)(C)C1=CCN(C(=O)c2ncccc2O)CC1	160991273	BWBSGIVKVWVHLS-UHFFFAOYSA-N	260.337	2.606	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1CC=CCC1	460096992	YOEIECWCIHEZMZ-SNVBAGLBSA-N	283.324	2.640	70	20	CFID	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864239232	DEXCPLXGTQHTRK-GHMZBOCLSA-N	299.367	2.748	70	20	CFID	
O=S(=O)(Cl)[C@@H](c1ccccc1)c1ccncc1	88251408	PLWQYORYXMADSS-LBPRGKRZSA-N	267.737	2.740	70	20	CFID	
Clc1cc(NC[C@@H]2CCN(C3CC3)C2)nc(C2CC2)n1	217970207	VQQOPPUVTVGSQV-JTQLQIEISA-N	292.814	2.904	70	20	CFID	
CC[C@@H](C)NC(=O)C(=O)Nc1sc(C)nc1CC(C)C	161006598	FADAYJMUQBBOFK-SECBINFHSA-N	297.424	2.503	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)o1	161124666	NMIKENYWLHQQQU-NMMOIRBDSA-N	289.375	2.929	70	20	CFID	
Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ncn1	161168106	UWPMKGRPUCZTFQ-UHFFFAOYSA-N	297.236	2.936	70	20	CFID	
COCC(C)(C)C(=O)NCC(C)(C)c1cccc(OC)c1	161291456	DBYPYUNLLKUFSL-UHFFFAOYSA-N	293.407	2.762	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(CC)C(=O)C[C@H]1CCCN1	161437019	ZKLBCSDNXTVLGI-SJORKVTESA-N	288.435	2.998	70	20	CFID	
O=C(C=C1CCC1)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	161475101	JILFSPCLSARNBD-UXLLHSPISA-N	253.345	2.799	70	20	CFID	
O=C(Nc1cccc(OCCF)c1)c1cccnc1	160417948	BNJSHRFAGKHWNS-UHFFFAOYSA-N	260.268	2.682	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@@H](C)C1CCOCC1	160458139	FGULEAKQGWNOSX-RYUDHWBXSA-N	256.390	2.535	70	20	CFID	
CC[C@H](NC(=O)CC[C@H]1CCCO1)c1c(C)noc1C	160595444	GCECGGUFYWOHIK-OLZOCXBDSA-N	280.368	2.818	70	20	CFID	
C[C@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CCN1C	160684089	RSKHMDHQCPNUOX-XIRDDKMYSA-N	276.424	2.573	70	20	CFID	
CNC[C@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C	160721996	SXFYJTIDWSUZOH-BBRMVZONSA-N	274.408	2.822	70	20	CFID	
C[C@H]1CCCC[C@H]1OCC(=O)N(C)Cc1cccn1C	160817519	WOADEMBJTVEJDF-DZGCQCFKSA-N	278.396	2.579	70	20	CFID	
CCOCCC1(CNC(=O)N(C)Cc2ccoc2C)CC1	160831542	GZUHRJRXZONSHM-UHFFFAOYSA-N	294.395	2.936	70	20	CFID	
Cc1cc(NC(=O)c2cc3c(F)cccc3[nH]2)c[nH]c1=O	159621802	LLGRQIQCLLRDAI-UHFFFAOYSA-N	285.278	2.556	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCCCN1	159712551	NUCKGCZHXGUACW-OAGGEKHMSA-N	272.392	2.581	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@H](CC)CCO)c1C	159933485	FEQVWOYKZKHOQA-CYBMUJFWSA-N	296.415	2.522	70	20	CFID	
CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc2[nH]cnc12	159799281	JMLWMQFJWDTMPI-DGCLKSJQSA-N	289.404	2.967	70	20	CFID	
CCC(CC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123131417	OBBZBQKZQFQFCA-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
O=C(c1ccc(C(F)(F)F)cn1)N1CCCCC1	161094915	LNACJIPZZYBWQK-UHFFFAOYSA-N	258.243	2.727	70	20	CFID	
CCc1cc(O)nc(CN2CCC[C@H]3CCCC[C@@H]32)n1	160583736	JXCGOQWREGNEEW-OCCSQVGLSA-N	275.396	2.899	70	20	CFID	
CC[C@H]1CN(C[C@@H](O)c2cc3ccccc3o2)CCO1	216923031	XYRZNYVTCOILBO-UONOGXRCSA-N	275.348	2.577	70	20	CFID	
C[C@@]1(NC(=O)Nc2ccc(Cl)cc2F)CCOC1	159403363	KQZSWYFENQNTTK-GFCCVEGCSA-N	272.707	2.780	70	20	CFID	
Brc1ccc(CCNCc2ncc[nH]2)s1	218239186	QKITUESGJQHILR-UHFFFAOYSA-N	286.198	2.566	70	20	CFID	
O=C(O)c1ccc2scc(S(=O)(=O)Cl)c2c1	384325417	RHULETWWVAJQNX-UHFFFAOYSA-N	276.722	2.527	70	20	CFID	
CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1	161137662	HQFOUCDKZNGQQU-GYSYKLTISA-N	298.814	2.597	70	20	CFID	
Brc1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1	160268363	ZCFPVBCAWHLQTH-MNOVXSKESA-N	298.184	2.609	70	20	CFID	
Cn1c(C(=O)N[C@H](c2ccccc2)C(C)(C)C)cccc1=O	160273233	JWTBAJVUUWUTQX-MRXNPFEDSA-N	298.386	2.903	70	20	CFID	
C/C=C(\C=C\C(=O)NCc1cccc2c1OCO2)CC	160299649	NOOPKXCXNFJOFA-HROVTHNTSA-N	273.332	2.944	70	20	CFID	
Cc1nn(C)c(NC(=O)C[C@@H](C)c2ccncc2)c1C	160473794	DTPHHGGQHNJEGH-SNVBAGLBSA-N	272.352	2.564	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc2oc(=O)ccc2c1	160590665	XSPQCCFOVDYIBG-SECBINFHSA-N	277.345	2.873	70	20	CFID	
CCCNC(=O)c1ccc(N[C@@H]2CCOC(C)(C)C2)nc1	160686076	TVUIFPVWOMRHPD-CYBMUJFWSA-N	291.395	2.591	70	20	CFID	
Cc1c(/C=C/C(=O)N[C@H]2CCc3c(F)cccc32)cnn1C	160973510	GBCLWFVPFBEVIZ-FSNWXROXSA-N	299.349	2.685	70	20	CFID	
CCOc1ccc(NC(=O)N[C@@H](COC)C2CC2)c(C)c1	159382731	DGQXALXPRSDVFC-HNNXBMFYSA-N	292.379	2.940	70	20	CFID	
Cc1ccc(C)c(S(=O)(=O)CCc2c(C)noc2C)c1	159989765	BPQBBYKIYUZCPB-UHFFFAOYSA-N	293.388	2.925	70	20	CFID	
C[C@H]1CC[C@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)O1	159893775	CQEJZVWLGMQLQO-WRWORJQWSA-N	289.253	2.917	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1[C@@H](C)CC[C@H]1C	1121076803	KYHIDCZWZBIDSS-PHIMTYICSA-N	299.367	2.666	70	20	CFID	
C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1337667779	ZYVGAQOFMZDEAM-GXFFZTMASA-N	299.367	2.653	70	20	CFID	
CCc1ccc([C@@H](C)CC(=O)NCC(C)(C)N)cc1	159969212	QIBUNXNZKNQSNP-LBPRGKRZSA-N	262.397	2.596	70	20	CFID	
CCn1cc(S(=O)(=O)Nc2c(C)cccc2Cl)cn1	161073673	HJSXSZTWLIZWGS-UHFFFAOYSA-N	299.783	2.666	70	20	CFID	
C[C@H](NC(=O)NO[C@H]1CCCCO1)c1ccccc1	161120893	HRCNDAUCCUYCDO-AAEUAGOBSA-N	264.325	2.505	70	20	CFID	
COC(=O)c1csc(NC(=O)N(C)C2CCC2)c1	161134762	DZNBPHUUICGBNQ-UHFFFAOYSA-N	268.338	2.551	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccncc2)n1	161171098	QRJZLVBWZVZRQH-UHFFFAOYSA-N	293.330	2.681	70	20	CFID	
CC1=C(C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)CCCO1	160026440	SGMLOPBWHBXYAK-BBWFWOEESA-N	283.371	2.773	70	20	CFID	
CCN(C(=O)c1cnc2c(c1)ncn2C)c1cccc(F)c1	160093191	CHBXXMZKLJYMQT-UHFFFAOYSA-N	298.321	2.774	70	20	CFID	
CC[C@H](NC(=O)CC(F)(F)F)c1c(C)noc1C	160124004	QENAZRLKUBLOAW-QMMMGPOBSA-N	264.247	2.811	70	20	CFID	
N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1	160199190	NBLJXZHRQCQUGC-UPJWGTAASA-N	299.201	2.657	70	20	CFID	
C[C@H]1CCCN([C@@H](C)CNC(=O)N2CCC3(CCC3)C2)C1	160269075	XDAJIIAQWNZBCC-GJZGRUSLSA-N	293.455	2.692	70	20	CFID	
CCOCCC1(C(=O)NCc2ccccc2OC)CCC1	160627209	FYVPTFMUJCTXNZ-UHFFFAOYSA-N	291.391	2.908	70	20	CFID	
COCc1ccccc1NC(=O)N(C)[C@H]1CCSC1	160825691	ACSSNYRGDBSDTD-LBPRGKRZSA-N	280.393	2.802	70	20	CFID	
CCN(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160853243	FMJFIEFLPHJQAK-KGLIPLIRSA-N	262.353	2.568	70	20	CFID	
Cc1noc(Cc2cccc(OC(F)(F)F)c2)n1	160994685	MCSCYXMBZWTFML-UHFFFAOYSA-N	258.199	2.867	70	20	CFID	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1N	159799662	BLMRXYJIVDZQKJ-CUBALJKWSA-N	290.382	2.658	70	20	CFID	
Cc1oc(C)c(C(=O)NCC2(N)CCCCC2)c1C	159665883	PIBYWAKUVDJYQH-UHFFFAOYSA-N	264.369	2.596	70	20	CFID	
CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H](CN)C1CC1	159800965	JHKWVZPIJRYQNY-GFCCVEGCSA-N	286.297	2.515	70	20	CFID	
CCOC[C@H]1CCN(CCC(=O)c2ccc(C)cc2)C1	159987674	DVMVMYSQRYUPIQ-HNNXBMFYSA-N	275.392	2.926	70	20	CFID	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CCC1	460092583	MUQCTAAPCXBUAS-VIFPVBQESA-N	285.340	2.720	70	20	CFID	
CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2C)C1	1262782041	UQAYJGOGRSMMSK-LLVKDONJSA-N	299.367	2.525	70	20	CFID	
Cc1cc2cc(NC(=O)[C@]3(C)CCCNC3)ccc2[nH]1	161334428	LPEZXZZXEONDML-MRXNPFEDSA-N	271.364	2.805	70	20	CFID	
CNC[C@H]1CCCN1C(=O)C[C@H](C)Cc1cccc(F)c1	161357352	RZDWMMNSNAGIDA-CZUORRHYSA-N	292.398	2.605	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(N2CCCC2=O)cc1	161420543	XVIVXDGQQFEWNP-BETUJISGSA-N	286.375	2.826	70	20	CFID	
COc1ccc2c(c1)CN(C(=O)Nc1ccc(C)nc1)CC2	161487733	IMHSOLLMBKIWNL-UHFFFAOYSA-N	297.358	2.989	70	20	CFID	
CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)N	160078024	ATIKFGGYBGUORR-GXFFZTMASA-N	268.788	2.843	70	20	CFID	
CCCC[C@@H](C)NC1CCN(C(=O)c2ccncc2)CC1	160219166	HKOCXXXBMCKFSH-CQSZACIVSA-N	289.423	2.855	70	20	CFID	
CCCNC(=O)CCC(=O)N[C@@H]1CCCc2sccc21	160264646	OFWDKBXMMAIVEE-GFCCVEGCSA-N	294.420	2.548	70	20	CFID	
CC[C@@H](COC)NC(=O)[C@@H](CC)c1ccc(F)cc1	160279681	MAGSPHRCONUJES-KBPBESRZSA-N	267.344	2.861	70	20	CFID	
CC1CCN(C(=O)N2CCC(N3CCCCC3)CC2)CC1	160382210	RQNALZPHUAOZOQ-UHFFFAOYSA-N	293.455	2.789	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1	160397733	QWIBUIJQTPLKQC-IIUITYHTSA-N	289.375	2.785	70	20	CFID	
CCC(N)(CC)CNC(=O)/C=C/C1CCCCC1	160441141	XWWOIDWDEUNMHT-ZHACJKMWSA-N	252.402	2.757	70	20	CFID	
CCOc1ccccc1CCC(=O)NCC(N)(CC)CC	160473956	QIIAVIDAUVSFGN-UHFFFAOYSA-N	292.423	2.652	70	20	CFID	
COc1cc(F)ccc1NC(=O)N(C)[C@H]1CCSC1	160539418	PRMXBLFQGITZTC-JTQLQIEISA-N	284.356	2.804	70	20	CFID	
CS[C@@H](C)CNC(=O)NCc1nc(C(C)C)cs1	160566482	KRPFTSZPYTVKLA-VIFPVBQESA-N	287.454	2.817	70	20	CFID	
CCCC1(CNC(=O)CN(C)C(=O)OC(C)(C)C)CC1	160589382	XVSWELWENXUUHJ-UHFFFAOYSA-N	284.400	2.550	70	20	CFID	
CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	160719962	QAROJSDHSLNLFO-SNVBAGLBSA-N	299.777	2.767	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)no1	160773029	FUIVRHWINNURNC-GFCCVEGCSA-N	278.352	2.595	70	20	CFID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCc2ccccc21	160983858	SCCUSNAMDZZWMG-GDBMZVCRSA-N	286.375	2.716	70	20	CFID	
CCOCCC1(CNC(=O)NCC2(CC)CC2)CC1	159452423	OWVGWQTXRUHHRS-UHFFFAOYSA-N	268.401	2.683	70	20	CFID	
Cc1ccc2cccc(C(=O)Nc3c[nH]c(=O)c(C)c3)c2n1	159479563	VJYIMVQTGRQNTL-UHFFFAOYSA-N	293.326	2.792	70	20	CFID	
Cc1noc(C)c1CCS(=O)(=O)Cc1cccc(F)c1	159569909	KSFPTOVXHAUBLB-UHFFFAOYSA-N	297.351	2.588	70	20	CFID	
O=S(=O)(F)c1ccc(-c2ccc(F)cc2)nc1F	536953364	LJVJQLQWNKFVTG-UHFFFAOYSA-N	273.235	2.685	70	20	CFID	
COc1cc(NC(=O)Cc2ccccc2O)ccc1F	160408689	WOXGZTXBGJLIMB-UHFFFAOYSA-N	275.279	2.721	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N(C)Cc1nccs1	159783363	YQYHMIRBFDBEIT-UHFFFAOYSA-N	281.768	2.772	70	20	CFID	
CC[C@H](NCCCNC(=O)C(C)C)c1ccccc1	159981522	QXVYYGJTFPNNPZ-HNNXBMFYSA-N	262.397	2.890	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NCc1c(C)noc1C	161206298	GQWMNAXVNWVJGD-UHFFFAOYSA-N	279.727	2.578	70	20	CFID	
CN(Cc1cccn1C)C(=O)/C=C/c1ccccc1	160506922	ZPCURWFIVWLJPH-ZHACJKMWSA-N	254.333	2.697	70	20	CFID	
Cc1cc(C)c(CNC(=O)[C@@H]2CCCCO2)c(C)c1	161038824	WAKFASSAUMGXGO-HNNXBMFYSA-N	261.365	2.797	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H]1C=CCCC1	160269134	JXWYYZNUWFRROQ-GWCFXTLKSA-N	277.368	2.803	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCCc2ccco2)n1	160320308	FPBXSVYEFFWKGZ-UHFFFAOYSA-N	290.367	2.886	70	20	CFID	
CCN(CCCO)C(=O)CCSc1ccccc1F	160510698	DOEVXQHAXNSDPO-UHFFFAOYSA-N	285.384	2.539	70	20	CFID	
Cc1csc(CCCCN[C@H]2CCN(C)C[C@@H]2C)n1	160670548	UNMLHDMZHFLPNZ-JSGCOSHPSA-N	281.469	2.704	70	20	CFID	
C[C@@H](NC(=O)Nc1ccn(C)n1)c1cccc(F)c1F	160754662	YYZFBVMQEIOVBG-MRVPVSSYSA-N	280.278	2.581	70	20	CFID	
COc1ccc(C(C)(C)C(=O)N[C@@H](C)[C@H]2CCOC2)cc1	160961279	ORNBVTDSBRQZFX-STQMWFEESA-N	291.391	2.514	70	20	CFID	
COc1ccc(OCCCNC(=O)[C@@H]2CC2(C)C)cc1	160985087	KAROTOCZJIDFIO-AWEZNQCLSA-N	277.364	2.626	70	20	CFID	
CCCCN(C)CCNC(=O)NCC1(C2CC2)CCC1	159836634	BGUVJPKEZGSSID-UHFFFAOYSA-N	281.444	2.598	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@@H]1CCCN1	159445779	HPGXZKHFFMBUMQ-WFASDCNBSA-N	294.826	2.872	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)[nH]n1	159494240	ZSBUITVAFBBEHS-ZFWWWQNUSA-N	299.374	2.616	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccn(-c2ccc(F)cc2)n1	159892867	VWURGAWDGNERPQ-UHFFFAOYSA-N	299.349	2.931	70	20	CFID	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCC1(C2CC2)CC1	159361654	NRFQFBKBIVRSHB-DZGCQCFKSA-N	294.439	2.927	70	20	CFID	
COC(=O)Nc1cccc(C(=O)OCc2cncs2)c1	159571760	HWNCCBDBJUHHPS-UHFFFAOYSA-N	292.316	2.678	70	20	CFID	
COc1ccc([C@@H](CCO)N[C@H](C)c2ccccn2)cc1	159392156	ZZECISNDHDJTDR-CXAGYDPISA-N	286.375	2.865	70	20	CFID	
CCOc1ccccc1N(C)Cc1nc([C@H](C)OC)no1	159397812	NMVWOUDWEFKVOD-NSHDSACASA-N	291.351	2.812	70	20	CFID	
O=C(CCSc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]1O	161096573	WDDSAXZVWMXIJX-CHWSQXEVSA-N	299.823	2.852	70	20	CFID	
Cc1nnc2c(NCCc3ccc(Cl)s3)nccn12	218049563	GQGJYUCBQUTJDP-UHFFFAOYSA-N	293.783	2.802	70	20	CFID	
NCCCNC(=O)c1ccc(C2SCCCS2)cc1	160043261	YSTQNAIVTDNQHC-UHFFFAOYSA-N	296.461	2.634	70	20	CFID	
CC(C)(N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1	161070952	JCISEDDDRGOBQR-UHFFFAOYSA-N	264.373	2.523	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(N(C)C)cc2C)CC1	161079317	ZMCOCERLFWBTQS-UHFFFAOYSA-N	289.423	2.920	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@H]1CCc2ccccc21	161223455	HFKXUSRTGGYQNJ-CQSZACIVSA-N	274.408	2.598	70	20	CFID	
CC(C)(C(=O)NOCc1nccs1)c1ccccc1	161317696	OAGLZNOIWQCBQE-UHFFFAOYSA-N	276.361	2.669	70	20	CFID	
C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2ncn(C)n2)c1	161422458	VNQVTYXYTZUHSV-FZMZJTMJSA-N	299.378	2.792	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160226640	XNEOIVIDPMNIQZ-LKFCYVNXSA-N	274.324	2.748	70	20	CFID	
CCOC(=O)[C@@H](C)Sc1nncc2ccccc12	160237669	VRPAAWSAYHIKFH-SECBINFHSA-N	262.334	2.674	70	20	CFID	
CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccn(C)c1	160243080	SWGLVRIXJNOYFF-CYBMUJFWSA-N	275.739	2.875	70	20	CFID	
CCC1(NC(=O)Nc2ccn(CC(F)(F)F)n2)CCC1	160332404	WOTLRPOFEOLYKV-UHFFFAOYSA-N	290.289	2.900	70	20	CFID	
CN[C@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C1	160491260	BKWURVLOJCWUGW-INIZCTEOSA-N	288.435	2.856	70	20	CFID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C	160560858	HFWFKTLXRUAPQC-RISCZKNCSA-N	294.443	2.732	70	20	CFID	
O[C@@H]1CCCC[C@H]1CNC1CCN(c2ccccc2)CC1	160562688	HDWYWIJISHPBEC-MAUKXSAKSA-N	288.435	2.796	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](CO)CC(C)C	160838925	XNGWQBQOMGQGSC-UKRRQHHQSA-N	285.428	2.638	70	20	CFID	
C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1	160992876	XISVAAHFMXDHAB-ZQNQSHIBSA-N	292.423	2.632	70	20	CFID	
CCSc1nc2ccc(F)cc2c(=O)n1CC	159446128	DMNPVZNVNQCGKF-UHFFFAOYSA-N	252.314	2.668	70	20	CFID	
CCOC(=O)C1(C(=O)N(C)c2ccc(F)cc2)CCC1	159653842	WDHFAPAWPONBLT-UHFFFAOYSA-N	279.311	2.522	70	20	CFID	
CCn1nc(C)c(C(=O)OCc2cncs2)c1Cl	159569426	FHWJRXOPDULXSN-UHFFFAOYSA-N	285.756	2.678	70	20	CFID	
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H]1CCCC1(C)C	159580352	VYEHTZUXZAKYDQ-OLZOCXBDSA-N	284.444	2.907	70	20	CFID	
Oc1ccc(CN[C@@H]2CCc3c(O)cccc32)cc1	161479798	XVQUCBDKXZOJRM-OAHLLOKOSA-N	255.317	2.875	70	20	CFID	
COc1ccc(CN(C)C(=O)OC(C)(C)C)cc1O	159799973	GHRILJZVEOYXLJ-UHFFFAOYSA-N	267.325	2.768	70	20	CFID	
CC[C@H](C)CC(=O)Nc1cccc(S(=O)(=O)F)c1	460094240	RMKUVPRCLQBNRD-VIFPVBQESA-N	273.329	2.720	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864239352	ILDKXMWSDUWBTJ-NXEZZACHSA-N	287.356	2.509	70	20	CFID	
CC[C@H](NC(=O)[C@@H](N)C(C)C)c1ccc(F)cc1F	161210069	BGFKKJSQVLRMIO-STQMWFEESA-N	270.323	2.515	70	20	CFID	
COc1ccc(C)cc1CN[C@H]1CCN2CCCC[C@@H]12	217690210	BUYQETWKZBWRKD-HOTGVXAUSA-N	274.408	2.720	70	20	CFID	
CCN(CCCNCc1cccn1C)C(=O)OC(C)(C)C	217799683	KJPCBSWYVIFUSV-UHFFFAOYSA-N	295.427	2.762	70	20	CFID	
CCCN(CC)CCN[C@H]1CCCc2cccnc21	217704370	DSFAAUMADCDQRL-HNNXBMFYSA-N	261.413	2.781	70	20	CFID	
CO[C@@H]1C[C@H](Nc2ncnc3c2CCCC3)C1(C)C	217813024	GVFRYBFPJLAEBZ-QWHCGFSZSA-N	261.369	2.581	70	20	CFID	
C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1ncnn1C	161247819	KTXADETYHCYFCF-WDEREUQCSA-N	274.393	2.704	70	20	CFID	
CC[C@H](O)CCNC(=O)COc1cc(C)c(Cl)c(C)c1	161280986	YVIFBAQWJZIZSK-LBPRGKRZSA-N	299.798	2.613	70	20	CFID	
COc1ccc(CN(C)CCCN2CCCCC2)cc1O	161408309	JCOFLTXENSPSFK-UHFFFAOYSA-N	292.423	2.709	70	20	CFID	
CCc1noc(C)c1Cn1nc(C2CC2)nc1C1CC1	161478818	LZQSINNNERCVSH-UHFFFAOYSA-N	272.352	2.940	70	20	CFID	
CCCCNc1ccccc1C(=O)NC[C@H](C)CCO	160058610	CIMDDFOBERBRLP-CYBMUJFWSA-N	278.396	2.647	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cnn(-c2ccccc2F)c1	160184379	NHXYKWLEEYYOPR-UHFFFAOYSA-N	299.349	2.931	70	20	CFID	
C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]1CN	160351770	ZHAVJDFJUGCRCE-GHMZBOCLSA-N	298.839	2.770	70	20	CFID	
C/C=C(\C)C(=O)Nc1cccnc1SCCC(=O)OC	160374856	SHPDPUDFIKXMLJ-ONNFQVAWSA-N	294.376	2.642	70	20	CFID	
CCN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CCCC1	160584794	ASUKZUMTOXLQNZ-DZGCQCFKSA-N	280.412	2.918	70	20	CFID	
CCc1nc(CN[C@H](Cc2ccc(F)cc2)C(C)C)n[nH]1	160636728	WBSMBLMPEKDVBH-CQSZACIVSA-N	290.386	2.863	70	20	CFID	
O=C(CCCn1ccnc1)Nc1cccc(OCCF)c1	160654706	BJBVZGSALAJPOQ-UHFFFAOYSA-N	291.326	2.650	70	20	CFID	
CC(C)(C)O[C@@H](C(=O)N[C@H]1CCC[C@@H]1O)c1ccccc1	160826989	NIVYUNLEHUAANB-SOUVJXGZSA-N	291.391	2.572	70	20	CFID	
COc1ccc(N(C)C(=O)C[C@H]2CCCCO2)cc1F	159665373	LQOGJCWHNDXUMA-GFCCVEGCSA-N	281.327	2.756	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Cl)nc1	159666518	JRPWGJMOKNHPTE-GZMMTYOYSA-N	266.728	2.679	70	20	CFID	
CCOCCN(CC(=O)OC)[C@H](CC)c1ccccc1	159671721	QINSRPYKZHESGI-OAHLLOKOSA-N	279.380	2.649	70	20	CFID	
C[C@@]1(NC(=O)Nc2cc(Cl)ccc2F)CCOC1	159689328	CSAWOGPOJDLEDS-GFCCVEGCSA-N	272.707	2.780	70	20	CFID	
O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CC12CCOCC2	159509238	UWJSRCWYNNHVBC-HNNXBMFYSA-N	298.386	2.643	70	20	CFID	
CC[C@H](CCO)NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	160068613	LEJQQODNZXDLSC-OUCADQQQSA-N	279.380	2.613	70	20	CFID	
CCCCNC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160311440	MEXVDYLGAPDANX-JTQLQIEISA-N	268.332	2.551	70	20	CFID	
CC[C@H](NC(=O)C[C@@H]1COC(=O)C1)c1ccc(Cl)cc1	161099761	DKGGDIHHHKSOOK-GWCFXTLKSA-N	295.766	2.861	70	20	CFID	
C[C@@H](NC(=O)Cc1ccc(O)cc1Cl)c1ccccn1	161123050	LNYIOQNUMKRUPU-SNVBAGLBSA-N	290.750	2.861	70	20	CFID	
CC(C)c1ccc(C[C@@H](C)NC(=O)NC[C@@H](C)CO)cc1	160069937	BJPJXMOZMKRSHT-ZIAGYGMSSA-N	292.423	2.669	70	20	CFID	
CN1CCC[C@@H]1CNC(=O)CC/C=C/c1ccccc1	160126988	USRFJUAUBPBLPX-ZWIJEDICSA-N	272.392	2.690	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCCc3sccc32)on1	160130649	QRFJKWLRPMEHSG-JTQLQIEISA-N	262.334	2.852	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)C[C@@H](C)C(C)C)[nH]2)o1	160212203	HVBSMWAIYQTKMO-SECBINFHSA-N	276.340	2.994	70	20	CFID	
Cc1cnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1	160223271	QONXQTKAWRRZHA-HOCLYGCPSA-N	282.391	2.717	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cn1	160238204	XVFFDSVGEKTMBL-LBPRGKRZSA-N	294.782	2.957	70	20	CFID	
Cc1ccccc1C[C@@H](C)NC(=O)/C=C/c1cnn(C)c1C	160325338	DPVFIZYTIJLXFG-ATWMFIQVSA-N	297.402	2.798	70	20	CFID	
Cc1cc(C)n(-c2ccc(C(=O)NC3CC=CC3)cc2)n1	160919367	WWDDLRVZCNPPTA-UHFFFAOYSA-N	281.359	2.938	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)CCOc1ccc(OC)cc1	159887464	ZJXKREMWZMSTSU-WBVHZDCISA-N	291.391	2.969	70	20	CFID	
COCCCCC(=O)NC1CCC(OC(C)C)CC1	159498868	NIPCGZCRWAIWJB-UHFFFAOYSA-N	271.401	2.656	70	20	CFID	
C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1cccnc1	160918121	OMVSSRYJXUBXEX-QEJZJMRPSA-N	278.421	2.787	70	20	CFID	
CCOc1ccc(CNCCN(C)[C@@H](C)CC)cc1OC	217385206	BUECILNWKWZRKQ-AWEZNQCLSA-N	294.439	2.914	70	20	CFID	
CCSCCN1CCN(Cc2ccccc2OC)CC1	160437066	BNBOORULUGWRMU-UHFFFAOYSA-N	294.464	2.566	70	20	CFID	
C[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(S(N)(=O)=O)c2)C1	217995932	YQILCCDQWDAIMY-YRGRVCCFSA-N	296.436	2.563	70	20	CFID	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1ccnc(F)c1F	218391933	JRPFSRNZUYFFNJ-YWVKMMECSA-N	268.307	2.914	70	20	CFID	
CNC(=O)c1ccc(/C=C/C(=O)NCCC2=CCCC2)cc1	160220058	RHKDKLNIJDOLMZ-DHZHZOJOSA-N	298.386	2.676	70	20	CFID	
CNC(=O)Cc1ccc(NCc2cc(F)cc(F)c2)cc1	160577911	ZQHVESSHBPNPQN-UHFFFAOYSA-N	290.313	2.865	70	20	CFID	
CC[C@@H](NC(=O)[C@H](C)SC)c1c(C)noc1C	160597606	UNFZOVKHKQPVTB-VHSXEESVSA-N	256.371	2.610	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cccc2c1OCCO2	160608805	SRWZGGKXWXBNSK-SECBINFHSA-N	267.350	2.538	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)[C@H]1SCCc2sccc21	160703774	ZLRZKFYQRAEQEB-AAEUAGOBSA-N	299.461	2.602	70	20	CFID	
CC[C@@H](N[C@H]1CCCCNC1=O)c1ccc(F)cc1F	160998171	DSKIFRUUDRMCHI-KGLIPLIRSA-N	282.334	2.674	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159492655	AXUNHYXHWCSUHW-ZDUSSCGKSA-N	291.395	2.686	70	20	CFID	
Cc1cc(=O)oc2cc(OC(=O)[C@@H]3CCCCO3)ccc12	159517107	ROFQFJBTKFJBOT-ZDUSSCGKSA-N	288.299	2.576	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)nc1	159921210	HUWPTAFDOQGHNK-LBPRGKRZSA-N	294.782	2.957	70	20	CFID	
CN(CCOCC1CC1)c1nc(C(C)(C)C)ns1	159933632	QXHQJFJMDBYOPX-UHFFFAOYSA-N	269.414	2.698	70	20	CFID	
CCc1cccc(OCCCS(=O)(=O)Cl)c1	104883607	NAZGKMWUBJFYQF-UHFFFAOYSA-N	262.758	2.587	70	20	CFID	
NC1(CNC(=O)Cc2ccc(Cl)cc2)CCCCC1	159734476	AATOZARAROVWHN-UHFFFAOYSA-N	280.799	2.660	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)C1(c2ccccc2)CCC1	160481951	OECGCODBTFANKU-HNNXBMFYSA-N	275.392	2.632	70	20	CFID	
C[C@H](Cc1ccc(O)cc1)NC1CCC2(CC1)OCCO2	161460451	PYAZCVSQNZLEKS-CYBMUJFWSA-N	291.391	2.599	70	20	CFID	
O=C(CCl)N[C@H](c1ccccc1)C(F)(F)F	34395997	YJIDBVMDKNWZKX-SECBINFHSA-N	251.635	2.645	70	20	CFID	
CC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)F)cc1	191950350	LHXQMURTJICOFQ-SECBINFHSA-N	273.329	2.720	70	20	CFID	
CN(C(=O)c1cccc(S(=O)(=O)F)c1)C1CCCCC1	1347809641	MQELXUBQQNBPPV-UHFFFAOYSA-N	299.367	2.750	70	20	CFID	
Cc1nnc2c(NC[C@H]3CCC[C@H](C)C3)nccn12	218050246	BHEOJMUSWNOKBH-JQWIXIFHSA-N	259.357	2.671	70	20	CFID	
CCN(CC1CC1)C(=O)NC[C@H]1CCCCN1CC(C)C	161029093	HPTSLTHSYGQCQJ-MRXNPFEDSA-N	295.471	2.938	70	20	CFID	
C[C@@H](NCC1(CO)CCCC1)c1nc2ccccc2n1C	160096674	WYUUXQOOIPGHRS-CYBMUJFWSA-N	287.407	2.777	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1	160134976	FQKUPUCZFFOBSX-GFCCVEGCSA-N	287.367	2.823	70	20	CFID	
CCO[C@H](CC)C(=O)N[C@@H]1CCc2c(OC)cccc21	160175727	DIRKZKWPWKDYJG-ZIAGYGMSSA-N	277.364	2.614	70	20	CFID	
CC(C)[C@@H]1CCCC[C@@H]1NCCN1CCC(N(C)C)CC1	160202557	YCOMNHSKFDELTQ-ROUUACIJSA-N	295.515	2.817	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1nccs1	160241116	HBKAUCKZVRIISZ-UHFFFAOYSA-N	287.388	2.956	70	20	CFID	
O=C(Nc1cc(Cl)ccc1F)N[C@H]1CC[C@H](O)CC1	160260864	KLJHIKPUIWOBFH-AOOOYVTPSA-N	286.734	2.904	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1coc2ccccc12	160501221	JFHKCJXPWXUZID-JTQLQIEISA-N	275.304	2.504	70	20	CFID	
CC[C@H](NC(=O)Nc1ccc(F)cc1OC)[C@H]1CCCO1	160540929	WXRYZIRSIAQANW-WCQYABFASA-N	296.342	2.913	70	20	CFID	
CCCC1(CNC(=O)c2cnc3c(c2)c(C)nn3C)CC1	160603281	UWEXCTYWDNRATI-UHFFFAOYSA-N	286.379	2.587	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc(-c2ccccc2)no1	160967124	WXASZVBYLZIKIW-UHFFFAOYSA-N	295.342	2.952	70	20	CFID	
C[C@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)c1ccsc1	159401764	TYXXHOMZEGNOSN-DZGCQCFKSA-N	292.448	2.938	70	20	CFID	
CCN(CC)C(=O)[C@H](C)Nc1ccn(CCC(C)C)n1	159951584	CRBAWGQJNLRGMH-ZDUSSCGKSA-N	280.416	2.598	70	20	CFID	
CO[C@]1(C)C[C@@H](NC(=O)CCCn2cccc2)C1(C)C	159769807	DDRJMIXACPDMGQ-CZUORRHYSA-N	278.396	2.588	70	20	CFID	
COC(=O)[C@@H](NC(=O)C1CCC(C)(C)CC1)C(C)C	160506155	OLDMLEYBDBUGMR-LBPRGKRZSA-N	269.385	2.517	70	20	CFID	
CC1(C)CNCCN1C(=O)c1cc2ccc(F)cc2s1	161208455	LMGZLJFXKYEUGQ-UHFFFAOYSA-N	292.379	2.864	70	20	CFID	
CSCC[C@@H](C)N(C)C(=O)[C@@H]1CNc2ccccc21	161260991	MCRIUVINIYSAEQ-DGCLKSJQSA-N	278.421	2.796	70	20	CFID	
CN(C(=S)Nc1ccccc1)[C@H]1CCSC1	160046141	HHCGYVKIUDQJOF-NSHDSACASA-N	252.408	2.821	70	20	CFID	
C[C@H](CN[C@H](C)c1cnn(C)c1)COCc1ccccc1	161299631	FZBSKHREYHZCCD-HUUCEWRRSA-N	287.407	2.924	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864239355	ILDKXMWSDUWBTJ-ZJUUUORDSA-N	287.356	2.509	70	20	CFID	
CC(C)=CCC[C@@H](C)NCCN1CCC(N(C)C)CC1	160188368	KCSNURWBTSZZMG-MRXNPFEDSA-N	281.488	2.737	70	20	CFID	
CCCCc1nnc(NC(=O)C(CC)(CC)CN)s1	161164796	QZZANOWVXVJEJH-UHFFFAOYSA-N	284.429	2.584	70	20	CFID	
Cc1nccn1C[C@@H](C)CNC(=O)[C@@H]1CCC[C@H](C)C1	161175533	WOWLGPZNNFSWLN-KCQAQPDRSA-N	277.412	2.770	70	20	CFID	
CCSCc1cccc(NC(=O)[C@H](N)CCSC)c1	161481687	QZUQZNFILAGNDM-CYBMUJFWSA-N	298.477	2.959	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cccnc1-n1ccnc1C	160166373	AHCDUFXMEUAIBM-SNVBAGLBSA-N	290.392	2.656	70	20	CFID	
CCOc1cc(C)ccc1CNC(=O)NC[C@@H](C)SC	160195763	DMPGYYBJTQSBDB-GFCCVEGCSA-N	296.436	2.944	70	20	CFID	
Cc1cc(CC(=O)N[C@H]2CCCc3sccc32)n[nH]1	160298515	FOJPGEFJULUSQV-LBPRGKRZSA-N	275.377	2.516	70	20	CFID	
CC(C)Oc1cncc(C(=O)N(C)C[C@@H]2CCCCO2)c1	160373873	JFDDVXJMAAPSRP-AWEZNQCLSA-N	292.379	2.510	70	20	CFID	
CN(C(=O)C[C@H]1COC(=O)C1)c1ccc(C(C)(C)C)cc1	160384277	KBFHEXMPFYHVTR-GFCCVEGCSA-N	289.375	2.900	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCC[C@@H]1C(C)C)CC2	160411861	CFPKVAUUKLVPBR-RRFJBIMHSA-N	276.428	2.706	70	20	CFID	
CS[C@@H](C)CC(=O)NCc1ccn(-c2ccccc2)n1	160553251	DDCMKWITSMVQNX-LBPRGKRZSA-N	289.404	2.630	70	20	CFID	
CCC(CC)CNC(=O)NC[C@@](C)(O)[C@H](C)CC	160596033	FSSOWLWTJBHUMR-BXUZGUMPSA-N	258.406	2.519	70	20	CFID	
Cc1ccc([C@H](C)NCCCCN2CCC[C@@H]2CO)s1	160664149	GIBYROAHFPGCSV-LSDHHAIUSA-N	296.480	2.944	70	20	CFID	
Cc1csc(CCCCN[C@H](C)c2cnccn2)n1	160668521	ZJYSTHLEVKYHMG-GFCCVEGCSA-N	276.409	2.915	70	20	CFID	
Cc1csc(CCCCN[C@@H]2CCN(C)C[C@@H]2C)n1	160670414	UNMLHDMZHFLPNZ-GXTWGEPZSA-N	281.469	2.704	70	20	CFID	
CCN(Cc1ccc(Cl)s1)Cc1nncn1C	160698606	BMEWZPNRUBYYLC-UHFFFAOYSA-N	270.789	2.552	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCCc1cnn(-c2ccccc2)c1	160810796	YCQBMCVKOYFROK-FUHWJXTLSA-N	297.402	2.967	70	20	CFID	
COC[C@H](N[C@@H](CCCO)c1ccccc1)C(C)C	160849549	CSNSQXFYAGECPS-HOTGVXAUSA-N	265.397	2.761	70	20	CFID	
CCC[C@H](C(=O)Nc1ccc2[nH]nnc2c1)C(C)C	160956380	QXFBNPIUGSHAAK-NSHDSACASA-N	260.341	2.969	70	20	CFID	
COc1ncc(C)cc1NC(=O)C[C@H]1CSCCS1	159803299	SLYLHWXGFLYHKQ-JTQLQIEISA-N	298.433	2.576	70	20	CFID	
Cc1csc([C@H](NCCC(C)(C)O)C2CC2)n1	159614353	AXJMRGMVPRREKI-LLVKDONJSA-N	254.399	2.653	70	20	CFID	
CN(C)[C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccc(F)cc1	159658120	BFJGICFGRLAHIT-KBPBESRZSA-N	278.371	2.591	70	20	CFID	
O=C(CNc1ccccc1)NCCNC1CCCCCC1	159665865	BBUVYJGMCCCSRJ-UHFFFAOYSA-N	289.423	2.527	70	20	CFID	
CC1(C)C[C@H](NC(=O)c2csnn2)c2ccccc2O1	159938168	DFOCJQNPNMBXKA-JTQLQIEISA-N	289.360	2.570	70	20	CFID	
Cc1ccc(CN2CCC(Cc3nccn3C)CC2)nc1	159967350	BLNBVNMIUWTSFG-UHFFFAOYSA-N	284.407	2.578	70	20	CFID	
CNC[C@@H](C)C(=O)N(C)[C@H](C)c1cc(C)ccc1C	159968052	DHKQWNVVHVGODF-ZIAGYGMSSA-N	262.397	2.678	70	20	CFID	
CCOC1CC(Nc2ccc(C)cc2OCCOC)C1	159369278	WYQBMJBIZGGPCL-UHFFFAOYSA-N	279.380	3.000	70	20	CFID	
C[C@@H]1CCc2sc(C(=O)N3CCC(C)(O)CC3)cc2C1	161295572	KCWCITFDUJOQIW-LLVKDONJSA-N	293.432	2.860	70	20	CFID	
CC[C@@H]1CCCN(C[C@@H](O)c2cc(OC)ccc2OC)C1	217017884	SCGWZIZVNWYMON-CZUORRHYSA-N	293.407	2.859	70	20	CFID	
O=S(=O)(Cl)C[C@@H](F)c1c(F)cccc1F	1537958779	KGOUPVUHHXYMHS-SSDOTTSWSA-N	258.648	2.544	70	20	CFID	
CC(C)[C@H](CCc1ccc(Cl)cc1)NCCO	159710443	DKQRWEXAHCHRNR-AWEZNQCLSA-N	255.789	2.879	70	20	CFID	
CC1(NC(=O)NC[C@@H]2CCOc3ccccc32)CCC1	161016047	BJJDZYGKRASNCO-LBPRGKRZSA-N	274.364	2.795	70	20	CFID	
Cc1cccc([C@@H](NC(=O)c2cocn2)c2ccccn2)c1	160079638	NPFRPWHZVRBCKQ-MRXNPFEDSA-N	293.326	2.897	70	20	CFID	
Cc1nc(Cl)cc(NCCCC(=O)OC(C)C)n1	160260866	AUDKWKFXYWIGCW-UHFFFAOYSA-N	271.748	2.582	70	20	CFID	
CC[C@@H](NC(=O)c1ccccn1)c1c(C)noc1C	160381629	XPQZKLWDJIKREP-LLVKDONJSA-N	259.309	2.568	70	20	CFID	
CCc1nc(CN[C@H](C)[C@H](C)c2ccccc2)n[nH]1	160563697	BICDJGAHAHBNRZ-NWDGAFQWSA-N	258.369	2.649	70	20	CFID	
CC(C)CN(CC(N)=O)C(=O)CCCC1CCCCC1	159802842	HCVZBWOJHNDZSL-UHFFFAOYSA-N	282.428	2.707	70	20	CFID	
Cc1cc(C(=O)Nc2cc(F)ccc2OC(F)F)n(C)n1	159479053	VEUDXCCIBZSYDY-UHFFFAOYSA-N	299.252	2.721	70	20	CFID	
C/C(=C/c1cccc(Cl)c1)C(=O)NC[C@@H]1CCOC1	159875461	NEVHXZSXVPUIOD-YLBKJLTLSA-N	279.767	2.896	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1	159724805	FNAALFJOHLWTIF-CBBWQLFWSA-N	283.412	2.656	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)c1cccs1	159778002	LZIXWRQCYBZXLW-WOPDTQHZSA-N	294.420	2.561	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)c1ccnc(OCC(F)F)c1	159778996	ULJRKDUYUGDRMQ-ZJUUUORDSA-N	286.322	2.890	70	20	CFID	
CCN1CCCN(C(=O)N[C@H]2CCCCC2(C)C)CC1	159976498	DMQHMHFEEFLPBS-AWEZNQCLSA-N	281.444	2.692	70	20	CFID	
CC(C)C(=O)NCCCN[C@H]1CCc2c(F)cc(F)cc21	159976679	PAMKMRNTROHUNC-HNNXBMFYSA-N	296.361	2.704	70	20	CFID	
CO[C@]1(CN[C@@H](c2ccccc2)C(F)(F)F)CCOC1	160279968	MFXUHJJZNVFKJW-STQMWFEESA-N	289.297	2.685	70	20	CFID	
C[C@@H](Cc1ccc(O)cc1)NCC1(N(C)C)CCCC1	160673540	WESPCSLFQNHIOG-AWEZNQCLSA-N	276.424	2.787	70	20	CFID	
CCC(CC)NC(=O)[C@@H](C)n1cnc2ccccc21	161009315	KBWFXWCIACIBQR-LLVKDONJSA-N	259.353	2.902	70	20	CFID	
COc1ccccc1CCN[C@H](C)C(=O)OC(C)(C)C	217766403	SFOSMONHXAAZES-GFCCVEGCSA-N	279.380	2.558	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)c1ccc(C(=O)NC2CC2)cc1	161058002	MUBHPGREAPXWCF-RYUDHWBXSA-N	288.391	2.743	70	20	CFID	
CC(=O)NC1CCC(NCC[C@H]2C[C@H]3CC[C@@H]2C3)CC1	161369932	MKRDAUCISFWAAX-DLXPNOHRSA-N	278.440	2.850	70	20	CFID	
Cc1cccc([C@H]2CCCN2C[C@H](O)COCC(C)C)n1	160111448	GZYOVYZHTVKBKN-DOTOQJQBSA-N	292.423	2.560	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccccc3F)[nH]2)o1	160224051	FXCNHDOLBGBURT-UHFFFAOYSA-N	286.266	2.765	70	20	CFID	
CCc1ccc(-c2ccc(CN3CCC[C@@H]3C(N)=O)o2)cc1	160335752	WQWWDBBFXIUQHT-MRXNPFEDSA-N	298.386	2.959	70	20	CFID	
CC(=O)c1ccc(NC(=O)NCC2(CO)CCCC2)cc1	160338871	WDCHLPYWXBRQFS-UHFFFAOYSA-N	290.363	2.563	70	20	CFID	
COC[C@H]1CCCN(Cc2c(C)nc3ccccn23)C1	160394371	AJLRPFAGACNAQJ-AWEZNQCLSA-N	273.380	2.501	70	20	CFID	
CCN(CC)C(=O)N1CC[C@@H](c2ccccc2OC)C1	160523476	QCSYPLIHIIBKKN-CYBMUJFWSA-N	276.380	2.946	70	20	CFID	
CC(C)S(=O)(=O)CCCN1CCCc2cccc(F)c21	160657103	SAAMVJRWGWFSCC-UHFFFAOYSA-N	299.411	2.792	70	20	CFID	
Cc1conc1NC(=O)c1csc([C@@H]2CCCO2)n1	160781738	ZEXRYSQFDZCSBF-VIFPVBQESA-N	279.321	2.543	70	20	CFID	
CO[C@@](C)(C(=O)N(C)Cc1cccn1C)c1ccccc1	160998844	RJXJQGLSOIXSCS-QGZVFWFLSA-N	286.375	2.545	70	20	CFID	
Cc1cnc(CN2CCO[C@]3(CCc4ccccc43)C2)o1	159630244	HUOLGJOOZXOCSJ-QGZVFWFLSA-N	284.359	2.657	70	20	CFID	
COc1cccc(C[C@H](NCCO)c2ccccc2)c1	159684464	KIEKTUPKWJMEKZ-KRWDZBQOSA-N	271.360	2.561	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)n1	159910113	GJUDPJXTINURSW-BETUJISGSA-N	294.399	2.570	70	20	CFID	
CS[C@@H](C)CC(=O)NCc1ccc(OC(C)C)nc1	159726639	UGNRVUQLDCSPDG-NSHDSACASA-N	282.409	2.627	70	20	CFID	
Cc1noc(C)c1[C@@H](C)NC(=O)CCCn1cccc1	159541987	LVERGIXLPDUFDI-LLVKDONJSA-N	275.352	2.751	70	20	CFID	
CCOC(=O)c1cccnc1N[C@H]1CCOC(C)(C)C1	159995236	FTADYAAOHGSTGW-NSHDSACASA-N	278.352	2.628	70	20	CFID	
COc1cc(N[C@H](C)C(=O)NCCC(C)C)ccc1F	160269743	CGWUSLFNTQVPHW-LLVKDONJSA-N	282.359	2.797	70	20	CFID	
CCCNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	160944155	DXMXYIORLPTFFJ-LBPRGKRZSA-N	296.411	2.550	70	20	CFID	
Cc1noc(C)c1C(=O)NC[C@H]1CCCN1c1ccccc1	217835230	IVSFUFGFVRSQJT-OAHLLOKOSA-N	299.374	2.690	70	20	CFID	
C[C@@H](c1cccc(Cl)c1)N(C)Cc1nncn1C	160814554	KQFDOPRNNRXUDC-JTQLQIEISA-N	264.760	2.662	70	20	CFID	
CCC(C)(C)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1	864242175	XBUXSGDOYVWKQD-UHFFFAOYSA-N	287.356	2.605	70	20	CFID	
CC[C@@](C)(O)CN1CC[C@H](Cc2ccc(F)cc2)C1	161174623	VSVAFZNRDBZCPI-GDBMZVCRSA-N	265.372	2.851	70	20	CFID	
CCN(CCc1ccccc1)C(=O)[C@H]1CCCCO1	161219023	LZCHNAMLQKLIJI-OAHLLOKOSA-N	261.365	2.647	70	20	CFID	
COc1ccc(OC)c(CCN[C@H](C)C(C)C)c1	161414467	XQYQNLMHDGVNNL-GFCCVEGCSA-N	251.370	2.880	70	20	CFID	
O=C(NCCC1CCNCC1)C1C2CC3CC(C2)CC1C3	160118798	BXSBRRHFXJBUAQ-UHFFFAOYSA-N	290.451	2.565	70	20	CFID	
CC1(C)CN(C(=O)c2cc(F)cc3cccnc23)CCO1	160250874	OMOYMNIIJJZTAA-UHFFFAOYSA-N	288.322	2.625	70	20	CFID	
CC(C)OC(=O)CCCNc1ccc(C(F)(F)F)nn1	160262590	JVGQIVNKBWPKIN-UHFFFAOYSA-N	291.273	2.639	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160383169	NLCDGMSNOCDURM-KFWWJZLASA-N	280.412	2.918	70	20	CFID	
CC(C)N(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CC1	160473939	IZZSHXYKJPODII-GXTWGEPZSA-N	266.385	2.526	70	20	CFID	
COC(CN1CCC(c2nc3ccccc3o2)CC1)OC	160508142	AHGHCZKMZRWJTO-UHFFFAOYSA-N	290.363	2.626	70	20	CFID	
CCCC1(CNC(=O)C2(NC(C)=O)CCCCC2)CC1	160655581	ADISPLPUUSIMTH-UHFFFAOYSA-N	280.412	2.522	70	20	CFID	
CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1	160676635	NZIURZZQIUNICW-RCCFBDPRSA-N	294.398	2.764	70	20	CFID	
CCCN(CCC)C(=O)CCC(=O)Nc1cccc(F)n1	160718856	PUBQDJACCIIJIM-UHFFFAOYSA-N	295.358	2.588	70	20	CFID	
O=C(OCc1ccc(Cl)cc1)[C@@H]1CCCCO1	159492894	HOEGGFPUOXFEMR-LBPRGKRZSA-N	254.713	2.952	70	20	CFID	
CCN1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1	159770357	SJWLVQRQELUKBZ-JSGCOSHPSA-N	280.437	2.842	70	20	CFID	
CCN(CC)C[C@H](C)NCc1cccc2c1NCCC2	159402924	LXZCQMIILXCEQA-AWEZNQCLSA-N	275.440	2.865	70	20	CFID	
CC[C@@]1(C(=O)N[C@@H](C)C2CCCCCC2)CCNC1	160639580	GLAYFAOWCUZSOM-XJKSGUPXSA-N	266.429	2.851	70	20	CFID	
CC/C(C)=C/C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673206	VRFLVMWEPONXHO-SOFGYWHQSA-N	289.303	2.779	70	20	CFID	
Nc1ccccc1S(=O)(=O)N1CCC[C@@H]2CCCC[C@H]21	217962877	WYIIVNNSADVTON-GXTWGEPZSA-N	294.420	2.612	70	20	CFID	
CC(C)[C@@H](CNCc1ccnn1C)c1ccccc1	218233919	WNQPFHUOINAYLN-MRXNPFEDSA-N	257.381	2.950	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H](C)CCOC)C1	161022497	ILDMLWFCFJSSPS-GJZGRUSLSA-N	270.461	2.902	70	20	CFID	
COc1ccc2c(c1)CN(C(=O)C[C@H](C)SC)CC2	161072706	RZVVVHRPBSMQSU-NSHDSACASA-N	279.405	2.722	70	20	CFID	
C[C@H](NCC1(c2ccc(F)cc2)CC1)[C@H]1CCOC1	161352545	WDMWLAMCVUTEGO-STQMWFEESA-N	263.356	2.872	70	20	CFID	
CCCCNC(=O)CCN1CCC[C@H]1c1cccc(C)n1	160393485	IDMWQAUJDUIPIY-INIZCTEOSA-N	289.423	2.833	70	20	CFID	
C[C@@H](CC1CC1)NC(=O)NCCOc1ccc(Cl)cn1	160405410	PMIMAWQXODGSJP-JTQLQIEISA-N	297.786	2.602	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)o1	160416071	MFDMYBCGJZEBNH-FTJFNGAWSA-N	290.407	2.654	70	20	CFID	
O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CCCCO1	160430043	AQNFKLAXNGVHDS-HUUCEWRRSA-N	259.349	2.823	70	20	CFID	
CSc1ccc([C@H](C)NCC(C)(C)O)cc1F	160609640	GNCRRGRWROSHBN-VIFPVBQESA-N	257.374	2.969	70	20	CFID	
CCCOCC(=O)NCCc1csc(C(C)(C)C)n1	160749783	XHDMNDDFQOIQQN-UHFFFAOYSA-N	284.425	2.526	70	20	CFID	
CCc1nnc(COc2cccc(NC(=O)C(C)C)c2)o1	160861110	ICOKRIBUBWBOBT-UHFFFAOYSA-N	289.335	2.806	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)N1CCC[C@H](C)C1	159430418	MBGDVBXIGCQVAF-AWEZNQCLSA-N	290.407	2.780	70	20	CFID	
COc1cccc([C@@H](C)C(=O)NCC2(N)CCCCC2)c1	159495356	XAPPGXHFFLGSKY-CYBMUJFWSA-N	290.407	2.577	70	20	CFID	
C[C@H](Sc1ccncc1)C(=O)NCCc1ccccc1	159928057	QGDCPYWJGJWZSW-ZDUSSCGKSA-N	286.400	2.921	70	20	CFID	
NC[C@@H](c1ccccc1)c1nc([C@@H]2CCCS2)no1	160599254	IOLOXROWFOJQME-RYUDHWBXSA-N	275.377	2.728	70	20	CFID	
CCc1nc(CN[C@@H](c2ccc(F)cc2)C2CC2)n[nH]1	160554253	TXEUBTZMGOKCKH-OAHLLOKOSA-N	274.343	2.747	70	20	CFID	
C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@H]1N	161214144	DBWZRCSZXSAZRT-BXKDBHETSA-N	292.379	2.850	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1[C@@H](C)CC[C@@H]1C	1121076804	KYHIDCZWZBIDSS-QWRGUYRKSA-N	299.367	2.666	70	20	CFID	
COC(=O)c1ccc(N[C@H]2CC[C@@H](SC)C2)nc1C	218044910	YKBWHTQLSPCLDN-WDEREUQCSA-N	280.393	2.873	70	20	CFID	
Cc1onc(-c2ccncc2)c1C(=O)N(C)C1CCC1	161142813	BZGINBNECKNLOW-UHFFFAOYSA-N	271.320	2.670	70	20	CFID	
C[C@]1(O)CCCN(C(=O)NCc2cccc3ccccc23)C1	161267515	YPHDOZAEESRQCO-SFHVURJKSA-N	298.386	2.896	70	20	CFID	
Cc1ccc(-c2nnc([C@H](C)N3CCOCC3)o2)cc1C	160472200	KMCSFHIQYLXQAO-ZDUSSCGKSA-N	287.363	2.747	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCc1ccccn1	160520847	ZVRBZKOCXUQFRP-UHFFFAOYSA-N	272.352	2.569	70	20	CFID	
COc1ccc(C)nc1NCc1ccccc1NC(C)=O	160585119	XJZJBIKDQJMBCT-UHFFFAOYSA-N	285.347	2.969	70	20	CFID	
C[C@H](NC(=O)C1CCC(C)(C)CC1)[C@H]1CCOC1	160689844	ACXXSCCWKJBXIL-AAEUAGOBSA-N	253.386	2.744	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H]2CCCSC2)o1	160775356	NYASGIHWNJRURA-AEZGRPFRSA-N	265.378	2.867	70	20	CFID	
CC(C)CSCCCNC(=O)CC(F)(F)F	160830885	QQFWCPCAXTVIFI-UHFFFAOYSA-N	257.321	2.834	70	20	CFID	
COc1cccc([C@@H](C)CC(=O)N[C@@H](CO)CC(C)C)c1	160851140	LRUIXTUZRWXPQA-DZGCQCFKSA-N	293.407	2.712	70	20	CFID	
CCCn1c(C)nnc1CN1CCS[C@@H]2CCCC[C@@H]21	160918401	WSWLBQOCDWSBEN-UONOGXRCSA-N	294.468	2.857	70	20	CFID	
C[C@H](CCc1ccccc1)NC(=O)NOCc1cccnc1	160983244	DRDBGHKUVAWTBF-CQSZACIVSA-N	299.374	2.834	70	20	CFID	
c1cncc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1	159440346	NQYMFJYXZGURCB-SFHVURJKSA-N	280.371	2.756	70	20	CFID	
O=S(=O)(Cc1ccccc1)N1CC[C@@H]2CCCC[C@@H]21	159799079	PPXCIYRSOKJJAX-GJZGRUSLSA-N	279.405	2.781	70	20	CFID	
CN[C@@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1	160651810	ZLHHCYWOIDERDD-CYBMUJFWSA-N	286.400	2.849	70	20	CFID	
Cc1nccc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1	160867589	RNZKLYKKNXOYIK-CZUORRHYSA-N	282.391	2.860	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N1C[C@H](C)OC(C)(C)C1	161469480	CLHGKBYRADVWMF-VIFPVBQESA-N	282.771	2.683	70	20	CFID	
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	864238584	MPERYQOYZXKYRY-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
O[C@@H]1CCCC[C@H]1CN[C@@H]1CCCc2cccnc21	217744770	TZADZTCWOZQMOW-RRFJBIMHSA-N	260.381	2.600	70	20	CFID	
CCCC(C)(C)NC(=O)NCC1(CCOC)CC1	161161493	QPVQFVZIOYVUDD-UHFFFAOYSA-N	256.390	2.681	70	20	CFID	
CCCCn1ncc(C(=O)N(C)Cc2ccncc2)c1C	161189808	ROSYTPALGYNLSM-UHFFFAOYSA-N	286.379	2.659	70	20	CFID	
Cc1ccc(-c2cc(CN3CCC(C)(O)CC3)on2)cc1	161208068	WUUJEKAHICQHHU-UHFFFAOYSA-N	286.375	2.997	70	20	CFID	
COc1cc(CCC(=O)N2CCOC[C@H]2C)ccc1Cl	161230958	YPZOEHCKNPBVMH-LLVKDONJSA-N	297.782	2.529	70	20	CFID	
CCCC(=O)N1CCC[C@@H]1c1ccc(COC)o1	161350204	LIWBKXJOKMFKRQ-GFCCVEGCSA-N	251.326	2.890	70	20	CFID	
CCCn1nccc1CNc1ccc(N2CCCC2)nc1	160029159	RCXCMUOCMCNEIJ-UHFFFAOYSA-N	285.395	2.900	70	20	CFID	
CC(C)(C)c1nsc(N[C@@H]2CCCCC[C@H]2C(N)=O)n1	160034910	XQOCJVVUWYTOMI-NXEZZACHSA-N	296.440	2.682	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1SCC(N)=O	160134588	DCLREUNLAFYDBA-BMIGLBTASA-N	292.404	2.639	70	20	CFID	
COc1ccc(N(C)C(=O)c2cnn(C)c2C)cc1Cl	160162723	GJPGVZOCNQPQHK-UHFFFAOYSA-N	293.754	2.667	70	20	CFID	
CCc1nsc(N2CCC[C@@H]2CN2CCCCC2)n1	160443584	QTRLCDRLFZVJBK-GFCCVEGCSA-N	280.441	2.555	70	20	CFID	
C[C@@H](CO)CNC(=O)C(c1ccccc1)c1ccccc1	160459016	ABKCDIKQDYIIGQ-CQSZACIVSA-N	283.371	2.563	70	20	CFID	
Cc1cccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)n1	159810083	ZPNCZNSTHAAPGG-QGZVFWFLSA-N	295.386	2.826	70	20	CFID	
Cc1cc(N[C@H](C)C(=O)Nc2ccccc2Cl)nn1C	159560517	KOEKXEQOGXBJDW-SNVBAGLBSA-N	292.770	2.821	70	20	CFID	
Cc1nc2ccccn2c1CN1CCC[C@H](n2cccn2)C1	159563149	BYTDXKDZRCUVCO-HNNXBMFYSA-N	295.390	2.676	70	20	CFID	
CCc1ccc([C@H](C)CC(=O)NCC(C)(C)N)cc1	159969330	QIBUNXNZKNQSNP-GFCCVEGCSA-N	262.397	2.596	70	20	CFID	
CCCn1c(C)nnc1CN1CCOc2cc(C)ccc21	159582285	AINGIQIJNHTPPH-UHFFFAOYSA-N	286.379	2.704	70	20	CFID	
C[C@H](N[C@@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)CCO2	218131407	SEBNJRSDKGYVBE-XKQJLSEDSA-N	286.419	2.899	70	20	CFID	
CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675547	RGJWKEAGIYLMLZ-MRVPVSSYSA-N	273.329	2.638	70	20	CFID	
CC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C)c1C	725326584	DEMWBCPLJYJQRT-UHFFFAOYSA-N	296.266	2.734	70	20	CFID	
COCC(C)(C)C(=O)NC1CCC(OC(C)C)CC1	161441253	OAPFEQVDTRSVCK-UHFFFAOYSA-N	271.401	2.511	70	20	CFID	
CC[C@H](N)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1	161011271	HXJPNKXXHWANMM-QWHCGFSZSA-N	298.839	2.694	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCCOC2CCCC2)C1	161172799	PZHMPDSKWNXNHE-OLZOCXBDSA-N	253.386	2.888	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)CC2(N)CCC2)C12CCCCC2	161182384	QVNMFQLHSJATKU-ZIAGYGMSSA-N	294.439	2.502	70	20	CFID	
Cc1cc(CN(C)C(=O)c2ccc(C(C)C)nc2)no1	161228513	DCTPVIZJDSHAGS-UHFFFAOYSA-N	273.336	2.774	70	20	CFID	
CCNC(=O)C(C)(C)CNc1cccc(F)c1C(C)=O	161373429	OVQCDYNUBNJWTM-UHFFFAOYSA-N	280.343	2.603	70	20	CFID	
CCCN(C)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160126776	DQAZNOQKUZRXIZ-AWEZNQCLSA-N	278.352	2.728	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1cc2c(F)cccc2[nH]1	160212497	DINAKPRUGWMLDD-UHFFFAOYSA-N	298.317	2.985	70	20	CFID	
CCCn1nc(C)c(CN[C@@H]2CCOC(C)(C)C2)c1C	160532399	OCRAHFZMVACXQL-CQSZACIVSA-N	279.428	2.957	70	20	CFID	
CCc1ccc(/C=C/C(=O)Nc2nc(C)ns2)o1	160561395	HTOAWSPFKPXQMT-VOTSOKGWSA-N	263.322	2.654	70	20	CFID	
CC(C)OCCCNC(=O)C[C@@H](C)c1ccncc1	160593123	SNLNJLLGESPFRR-CYBMUJFWSA-N	264.369	2.507	70	20	CFID	
CC(C)(CCc1ccccc1)NC(=O)CC[C@H]1CCNC1	160808409	VNEGOBOOWLBDIM-INIZCTEOSA-N	288.435	2.904	70	20	CFID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N(C)C1CCC1	160917747	KKYOWNPMGAJMTP-OAHLLOKOSA-N	281.444	2.691	70	20	CFID	
CCc1ncsc1NC(=O)c1cccc(-n2ccnn2)c1	160986568	ULJGHXBZGNNBOH-UHFFFAOYSA-N	299.359	2.539	70	20	CFID	
CS[C@H](C)CNC(=O)N[C@@H](C)c1ncc(C)s1	159409180	WVJUHUKTGZPFEZ-APPZFPTMSA-N	273.427	2.563	70	20	CFID	
CCOCCC1(CNC(=O)c2sccc2OC)CC1	159422336	CEVDUUCKZNYCJJ-UHFFFAOYSA-N	283.393	2.693	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2CCCSCC2)n1	159622431	FHGVHFAJMAPNOC-UHFFFAOYSA-N	296.440	2.900	70	20	CFID	
O=C(/C=C/c1ccco1)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	159905148	YIWMVBSVZRVRRN-PKEJXYEUSA-N	279.339	2.995	70	20	CFID	
C[C@@H](NCC1(CO)CCCC1)c1ccc2c(c1)OCO2	160094882	QNTRAIVHHNGAOR-GFCCVEGCSA-N	277.364	2.619	70	20	CFID	
CCCCOCCCN[C@@H]1C[C@H](N)c2ccccc21	160227997	GIGORQREQHMUKR-JKSUJKDBSA-N	262.397	2.928	70	20	CFID	
C[C@H](NCc1ccc(Cl)cc1F)C(=O)N1CCCCC1	160780682	JHXYMLVGYGRCDV-NSHDSACASA-N	298.789	2.970	70	20	CFID	
CNC[C@H]1CCCN1C(=O)c1csc2c1CC[C@@H](C)C2	161329016	OZUOPMRWQZVISI-VXGBXAGGSA-N	292.448	2.697	70	20	CFID	
O=C(CC[C@H]1CCOC1)N1CCc2c(F)cccc2C1	161080576	JMSDCWYBRIJZBX-LBPRGKRZSA-N	277.339	2.527	70	20	CFID	
CC[C@@H](C(=O)N1CCO[C@H](C)[C@@H]1C)c1ccc(F)cc1	161184562	XAELQXYSLCMYSC-YWPYICTPSA-N	279.355	2.955	70	20	CFID	
CC(C)c1ccsc1C(=O)N[C@H]1CCC[C@H](N)C1	161291409	CMJSVXMVESCXLW-QWRGUYRKSA-N	266.410	2.871	70	20	CFID	
CC(C)(C)[C@H]1CCc2sc(C(=O)N3CC(O)C3)cc2C1	161447621	NGBWDJBXYKBPPI-NSHDSACASA-N	293.432	2.716	70	20	CFID	
CC(C)(N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl	160042131	OPZVEKOQSWWPHP-UHFFFAOYSA-N	286.778	2.610	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)o1	160057943	SKHXAAVAPTWKSQ-LBPRGKRZSA-N	263.337	2.810	70	20	CFID	
C[C@H](N)C1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1	160198064	NIYYJHUVNXHEMT-WQPVAANYSA-N	290.451	2.645	70	20	CFID	
C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1	160462580	OCYVDJKPCDOJHO-OSRDXIQISA-N	280.412	2.632	70	20	CFID	
CC[C@@H](NCc1ccccc1CN1CCOCC1)C1CC1	160498811	VRFLOKUSQORCIK-GOSISDBHSA-N	288.435	2.797	70	20	CFID	
CCC(N)(CC)CNC(=O)CCOc1cc(C)cc(C)c1	160509912	ZGEUJZIJHTXSFY-UHFFFAOYSA-N	292.423	2.706	70	20	CFID	
Cc1ccc([C@@H](C)NCCCCN2CCC[C@@H]2CO)s1	160664039	GIBYROAHFPGCSV-HUUCEWRRSA-N	296.480	2.944	70	20	CFID	
CCOCCC(=O)NCCc1csc(C(C)(C)C)n1	160751811	CZZHPOCITTXTPE-UHFFFAOYSA-N	284.425	2.526	70	20	CFID	
Cc1c(C(=O)N[C@@H]2CCCc3sccc32)cnn1C	159860735	WZCCMECVAPUMCU-GFCCVEGCSA-N	275.377	2.597	70	20	CFID	
Fc1cc2ncc(N3CCOC[C@H]3C3CC3)nc2cc1F	159678796	DMZPQKKSQVYQTL-AWEZNQCLSA-N	291.301	2.523	70	20	CFID	
OC1(CNCc2cccc3c2NCCC3)CCCCC1	159426362	XAZRSNRHDGGSRN-UHFFFAOYSA-N	274.408	2.830	70	20	CFID	
Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@@H](N)C2)c1	160932062	RXLILQDWEGFLBU-HUUCEWRRSA-N	292.448	2.614	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1	161392906	IHSJYNHIQMSXLB-RYUDHWBXSA-N	286.297	2.705	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCNC(=O)C(C)(C)C	161035264	NOGOPEOUEAIOCU-ZIAGYGMSSA-N	296.455	2.966	70	20	CFID	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC1CCC1	161481502	MHMDGIYKEPKWQJ-GFCCVEGCSA-N	296.411	2.644	70	20	CFID	
COCc1cccc(NC(=O)N(C)[C@@H]2CCSC2)c1	160576969	DLRHPIRIZYXJKM-CYBMUJFWSA-N	280.393	2.802	70	20	CFID	
CN(C(=O)c1cc(Cl)ccn1)c1ccc2c(c1)OCO2	160588735	SLZOUXXUTQAMLA-UHFFFAOYSA-N	290.706	2.740	70	20	CFID	
COC(=O)C1(NC(=O)c2ccc(Cl)cc2C)CCCC1	160668632	UVEKVHDEZGTLCW-UHFFFAOYSA-N	295.766	2.864	70	20	CFID	
Cc1cccc(-n2ccnc2SCc2nncn2C)c1	160992232	LHVGAUQUOLAMFE-UHFFFAOYSA-N	285.376	2.602	70	20	CFID	
CCCCn1ncc(NC(=O)Nc2c[nH]nc2C)c1C	159814183	BRHHHFDDQNWDKX-UHFFFAOYSA-N	276.344	2.667	70	20	CFID	
CCC(CC)(CC)CNC(=O)N(C)CCn1cccn1	159622429	SUGGWWCZTUOOIW-UHFFFAOYSA-N	280.416	2.741	70	20	CFID	
CC(C)COC[C@H](NCCC(C)(C)O)c1ccco1	159652778	SJJJDNPLNKCCNR-ZDUSSCGKSA-N	269.385	2.744	70	20	CFID	
CCOCC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159902084	LMWVTWCIONXNSQ-QGZVFWFLSA-N	284.359	2.632	70	20	CFID	
CCC(C)(C)C(=O)NCc1nc2cccc(C)c2n1C	159785176	OODLQHFIXOFRJJ-UHFFFAOYSA-N	273.380	2.934	70	20	CFID	
CO[C@H](C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159983653	CYYILSQJWQKPGR-CZUORRHYSA-N	284.359	2.631	70	20	CFID	
CCOC1CC(Nc2cccc(N3CCCC3=O)c2)C1	159370956	TVSVJOUTIGBCDD-UHFFFAOYSA-N	274.364	2.793	70	20	CFID	
CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159534091	NITTZVMLKRPZSJ-WDEREUQCSA-N	284.350	2.872	70	20	CFID	
CCOCCCNC(=O)NCC12CC3CC(CC(C3)C1)C2	217276033	GFTCSPPEHSVRGX-UHFFFAOYSA-N	294.439	2.929	70	20	CFID	
CSC[C@](C)(O)CNCc1ccccc1OC(C)C	217847362	HSIZSDCIUOROHI-OAHLLOKOSA-N	283.437	2.677	70	20	CFID	
O=S(=O)(Cl)[C@@H]1CCCC[C@@H]1C(F)(F)F	222044687	XERHFIZAPJCPHO-NTSWFWBYSA-N	250.669	2.676	70	20	CFID	
CC(C)c1ccc(N(C)C(=O)C[C@H]2COC(=O)C2)cc1	161145558	IUCDCZQFHMLLQZ-GFCCVEGCSA-N	275.348	2.726	70	20	CFID	
CCCc1nc(CS[C@H](C)C(=O)OC(C)(C)C)no1	161326503	GUVCWZFSXVXYKW-SECBINFHSA-N	286.397	2.986	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](C)[C@@H]2C)cc1	161342506	FHPIKYNGTCHZRI-RDBSUJKOSA-N	276.380	2.875	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)COc1ccc(F)cc1	161394919	YFTRIZZRBKGQOW-QWRGUYRKSA-N	251.301	2.604	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CC[C@H](N)C1	161413884	QIMODDQJTWDESI-OLZOCXBDSA-N	272.348	2.519	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc2nccnc2c1	160183250	LNNPXLPYOWNBHU-VIFPVBQESA-N	261.350	2.710	70	20	CFID	
C[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)C1CC1	160229204	AKYPVLJFPZQWAW-WCQYABFASA-N	251.370	2.641	70	20	CFID	
CSCCN(C)CC1CCN(C(=O)C(C)(C)C)CC1	160275786	BOZYBSFCVQVUFX-UHFFFAOYSA-N	286.485	2.566	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](Cc1ccccc1)C1CC1)CC2	160321265	PEOHRQBMPNMTSC-IAGOWNOFSA-N	296.418	2.512	70	20	CFID	
COc1ccccc1[C@H](N)C(=O)NCCCC(C)(C)C	160537370	UTBMWSGDBZDHQM-AWEZNQCLSA-N	278.396	2.638	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)Cc1ccc(F)cc1Cl	160888138	LQBRADDCOXTUPN-GFCCVEGCSA-N	287.762	2.545	70	20	CFID	
CCN(Cc1ccccc1C)C(=O)[C@H]1CCn2ccnc2C1	159460238	DQLTVGCYXWXJFK-HNNXBMFYSA-N	297.402	2.803	70	20	CFID	
C[C@@H]1CCC[C@](CNC(=O)NC2(C)CCC2)(N(C)C)C1	159884376	LPPCAKXBEYWUHX-CJNGLKHVSA-N	281.444	2.739	70	20	CFID	
Cc1c([C@@H](NC(=O)[C@@H](C)N)C(C)C)oc2ccccc12	159696193	HEVHRLACGVYTRY-RISCZKNCSA-N	274.364	2.902	70	20	CFID	
CCn1c(S[C@@H](C)COC)nc2ccc(F)cc2c1=O	159594648	LKSLSVDHPMFHAN-VIFPVBQESA-N	296.367	2.683	70	20	CFID	
Cc1ccc(C(=O)CCN2C[C@@H](C)N(C)[C@H](C)C2)cc1	160216538	JFWKVZKUPNJWLK-HUUCEWRRSA-N	274.408	2.592	70	20	CFID	
CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	776367696	CDNXEYOCILDWHB-ZJUUUORDSA-N	287.356	2.966	70	20	CFID	
CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CO	161148859	BKUNSIYVICGFQP-XJKSGUPXSA-N	290.407	2.947	70	20	CFID	
COC(=O)[C@](C)(NC(=O)c1ccc(F)c(Cl)c1)C1CC1	161294101	BEZNSAYFGJLJGR-CQSZACIVSA-N	299.729	2.551	70	20	CFID	
Cc1nc2ccccc2nc1SCc1ccnn1C	161332961	DFLPLOZOGGPGHM-UHFFFAOYSA-N	270.361	2.964	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1	160060115	REXDTCVNZUYRKN-KGLIPLIRSA-N	294.439	2.530	70	20	CFID	
CC[C@@H](CC(=O)N(C)CC[C@H](C)O)c1ccc(OC)cc1	160133868	ZDASINKHOHNGAI-KBPBESRZSA-N	293.407	2.808	70	20	CFID	
O=C(CSc1ccccc1)NCCc1cccc(O)c1	160141561	ZATBBJQEQXBEBF-UHFFFAOYSA-N	287.384	2.843	70	20	CFID	
CC[C@H](C)NC(=O)NC[C@H](C)COc1ccccc1OC	160569279	HVUGJJVFFHWYQM-STQMWFEESA-N	294.395	2.808	70	20	CFID	
CN(Cc1cccn1C)C(=O)Cc1cccc(Cl)c1	160716509	RHQPUCNFSYMCLC-UHFFFAOYSA-N	276.767	2.880	70	20	CFID	
CCC1(CNC(=O)NCc2cc(C)cc(OC)c2)CC1	159452141	INXFKESEZLATIW-UHFFFAOYSA-N	276.380	2.993	70	20	CFID	
CSCCNC(=O)[C@H]1C[C@H]1c1sccc1C	159654691	WEZPYHDILBUWDO-ZJUUUORDSA-N	255.408	2.639	70	20	CFID	
CC(C)NCCC(=O)N[C@H]1CCC[C@H]1c1ccccc1	159718272	PDCSQWHNDWLGFK-HOTGVXAUSA-N	274.408	2.827	70	20	CFID	
CC[C@H](NC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1F	159728178	MLORBGCQOHISPZ-KBPBESRZSA-N	282.334	2.674	70	20	CFID	
COc1ccccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159530344	SKDRELNUAVOTGY-CYBMUJFWSA-N	289.375	2.917	70	20	CFID	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1(C)CC1	159762813	UMQVIKBFXZRBGY-LBPRGKRZSA-N	284.363	2.587	70	20	CFID	
C[C@@H](OCc1ccccc1)C(=O)NCC1(C2CC2)CC1	159772982	LOIRHEBRQDXUEE-CYBMUJFWSA-N	273.376	2.898	70	20	CFID	
CCCn1nccc1CNC[C@H](C(C)C)N1CCCC1	159990205	GUNSAHPQYRFHKN-MRXNPFEDSA-N	278.444	2.503	70	20	CFID	
COc1cccc([C@H]2CCCN2CCn2ccnc2)c1	159692309	CXQBAAXWXSJNKR-MRXNPFEDSA-N	271.364	2.729	70	20	CFID	
Brc1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1O2	159866339	ORWAGTQQZFSWNG-ONOSFVFSSA-N	269.142	2.576	70	20	CFID	
CC(C)=CC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318789	XPVYKBDQBHQGTK-UHFFFAOYSA-N	289.303	2.530	70	20	CFID	
FC1(F)CCC(Nc2nc(Cl)nc3nc[nH]c23)CC1	217606423	MSHDXCPGAXJKEQ-UHFFFAOYSA-N	287.701	2.996	70	20	CFID	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CCCNC1	217822129	BSGUNXXTIPEOHU-KBXIAJHMSA-N	266.429	2.563	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1cnn(C)c1	161060477	RLGUAZPINIDILP-HUUCEWRRSA-N	277.412	2.780	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccsc1	160081598	UYFUMDGLEACTRB-LBPRGKRZSA-N	265.378	2.970	70	20	CFID	
COc1ccc([C@@H](C)N[C@H](CCO)CSC)cc1F	160218738	LWYJXAHKJKWYOI-ZYHUDNBSSA-N	287.400	2.599	70	20	CFID	
CC(C)CCO[C@@H](C)C(=O)NCCc1cccc(O)c1	160251736	PGOQDNNGRDLFFH-ZDUSSCGKSA-N	279.380	2.502	70	20	CFID	
CC[C@@H](COC)NS(=O)(=O)c1ccc([C@H](C)CC)cc1	160319959	XFOZTPYUJQMYFV-OCCSQVGLSA-N	299.436	2.903	70	20	CFID	
COCCOc1ccc(CN[C@H]2CCOC(C)(C)C2)cc1	160526078	AFLPGIQZBHZEAT-HNNXBMFYSA-N	293.407	2.759	70	20	CFID	
CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)C1CCCCC1	160560769	GZLMQGINRIYBSS-CABCVRRESA-N	276.428	2.850	70	20	CFID	
CCOCCC1(CNC(=O)c2cc[nH]c2C)CCC1	160568739	DFZQSCMPHMBUMQ-UHFFFAOYSA-N	264.369	2.650	70	20	CFID	
Cc1nc(C(C)C)sc1[C@@H](C)NCC(C)(C)O	160600268	UETPNLVHIMBUHD-SECBINFHSA-N	256.415	2.996	70	20	CFID	
CCOCCC1(CNC(=O)NC[C@H](C)SC)CCC1	160632127	FUIKOXTYAKUEAQ-LBPRGKRZSA-N	288.457	2.634	70	20	CFID	
COc1cc(C(=O)N(C)c2ccccc2)cc(OC)c1O	160682720	KQTLBTFEIXZQBV-UHFFFAOYSA-N	287.315	2.686	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1c(C)[nH]c2ccccc12	160695514	XGCYRABLIKBVLS-JTQLQIEISA-N	288.347	2.548	70	20	CFID	
Cc1ccc(CNC(=O)N2CCOC3(CCCC3)C2)s1	160881490	FBDKQLKEDCFJOF-UHFFFAOYSA-N	294.420	2.911	70	20	CFID	
COc1ccc(C)cc1NC(=O)N(C)[C@H]1CCSC1	159411656	SZYXRKMRTZIYQR-NSHDSACASA-N	280.393	2.973	70	20	CFID	
CCCN(CC)CCNC(=O)Cc1cccc(CC)c1	159914474	AEOQTZYDPJAINO-UHFFFAOYSA-N	276.424	2.640	70	20	CFID	
Cc1cnc(C(=O)N[C@H]2CCCc3sccc32)cn1	159919959	PBHSYRQFBRLQII-NSHDSACASA-N	273.361	2.654	70	20	CFID	
C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)C[C@@H](C)O	159528744	MEFJTAVOLHTCIH-ZJUUUORDSA-N	295.770	2.764	70	20	CFID	
CC[C@@H](NC1CC(C)(C)NC(C)(C)C1)[C@@H]1CCOC1	159628226	WPAFVXQJDXBCMT-TZMCWYRMSA-N	268.445	2.700	70	20	CFID	
CC[C@]1(C(=O)N[C@H](C)C2CCCCCC2)CCNC1	160664661	GLAYFAOWCUZSOM-CJNGLKHVSA-N	266.429	2.851	70	20	CFID	
O=C(c1ncccc1O)N1CCC[C@H]1c1ccc(F)cc1	217960484	ULPSSKOMXCFIJU-ZDUSSCGKSA-N	286.306	2.904	70	20	CFID	
Cc1cccc(C(=O)NCCOC2CCCC2)c1F	161482356	UDVXZASHOICBCB-UHFFFAOYSA-N	265.328	2.823	70	20	CFID	
CC[C@@H](COCc1cccs1)CS(=O)(=O)Cl	114473111	SMXDCWMHWFSSAO-VIFPVBQESA-N	282.814	2.860	70	20	CFID	
Cc1nc2ccccc2nc1SCc1nnc(C)n1C	161022467	ICROYKXMQZIWHG-UHFFFAOYSA-N	285.376	2.667	70	20	CFID	
COC[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	161149674	GIHYPISAXFJKKU-ZBEGNZNMSA-N	277.364	2.533	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCCCC2	161179132	YXSFAJOTXUTJJU-BFHYXJOUSA-N	296.455	2.604	70	20	CFID	
CCC(CC)(CN)C(=O)N1CCc2c(C)cccc21	161201113	IHWMSKPTNLDIAT-UHFFFAOYSA-N	260.381	2.649	70	20	CFID	
Cc1cc(C)c(C(=O)N(C)CCOc2ccc(F)cc2)[nH]1	160091404	HQFGTFBUEFHSHY-UHFFFAOYSA-N	290.338	2.922	70	20	CFID	
CCCN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1	160395098	MIQBLMQOEMIVIQ-UHFFFAOYSA-N	297.358	2.556	70	20	CFID	
Cc1nc(CCNC(=O)NCC2(C3CC3)CC2)sc1C	160524254	BXTMSMDJXMRTIT-UHFFFAOYSA-N	293.436	2.792	70	20	CFID	
CC(C)=CCC[C@@H](C)NCCCCN1CCC[C@@H]1CO	160689876	AUYKQVOISNYYDW-IAGOWNOFSA-N	282.472	2.948	70	20	CFID	
CCCn1ncc(C(=O)Nc2cccc(F)n2)c1C1CC1	160891756	VAEMXBJKEQIMIN-UHFFFAOYSA-N	288.326	2.957	70	20	CFID	
CCN(C(=O)CS(=O)(=O)C(C)(C)C)c1ccccc1C	160942439	MSLZJFCONCPNFP-UHFFFAOYSA-N	297.420	2.561	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2ccc(F)cc2)[nH]n1	159940012	QJGSRIGYKYBRHS-UHFFFAOYSA-N	297.355	2.692	70	20	CFID	
CC1(O)CCN(CCC(=O)Nc2cccc(Cl)c2)CC1	161190936	VKUPRVLXLAKQBY-UHFFFAOYSA-N	296.798	2.515	70	20	CFID	
CCCCCNC(=O)CN(C)c1ccccc1F	161229114	SAYOKSQRUWQWHH-UHFFFAOYSA-N	252.333	2.568	70	20	CFID	
CC(C)[C@@H](O)CC(=O)NC[C@H](C)c1ccc(F)cc1F	161409344	YSMGSIJRLJFSKC-HZMBPMFUSA-N	285.334	2.592	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC1CCC(NC(C)=O)CC1	161421730	LDEYWDGHBRYSOG-PRLABOORSA-N	266.429	2.992	70	20	CFID	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN(C)[C@@H]1CCSC1	160457452	SXIISDLWKVBOJT-BARDWOONSA-N	296.480	2.603	70	20	CFID	
CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)C1CCCCC1	160561140	GZLMQGINRIYBSS-LSDHHAIUSA-N	276.428	2.850	70	20	CFID	
C[C@H]1[C@H](C)CCN1C(=O)Nc1ccn(CC(F)(F)F)n1	160606034	UGUNCEHINHKTGN-BDAKNGLRSA-N	290.289	2.708	70	20	CFID	
CC(C)CSCCCNC(=O)c1[nH]nc2c1CCCC2	160785366	NZZJTPRLVSSFNU-UHFFFAOYSA-N	295.452	2.798	70	20	CFID	
CC(C)n1nccc1C(=O)N1CCSc2ncccc21	160844859	BSBMHWACWAPZJW-UHFFFAOYSA-N	288.376	2.612	70	20	CFID	
C[C@H](C(=O)N(C)C[C@@H]1CCCOC1)c1ccsc1	159449725	ANYSRWPBGHYVAP-RYUDHWBXSA-N	267.394	2.737	70	20	CFID	
CC(C)CCOCCNC(=O)C[C@H](C)c1ccncc1	159462652	PBNFPCBWPUIHQN-AWEZNQCLSA-N	278.396	2.754	70	20	CFID	
COC[C@@H](NC[C@@H](C)N1CCc2sccc2C1)C1CC1	159885841	LJCXNIRWJPTGIQ-IUODEOHRSA-N	294.464	2.509	70	20	CFID	
CN(C)[C@@H](CNCc1cc(F)cc(F)c1)c1ccco1	159581423	BOBDKNRTQOHCII-AWEZNQCLSA-N	280.318	2.950	70	20	CFID	
C[C@H]1CCc2c(C(=O)NC(C)(C)CCO)csc2C1	161498298	WJAKORJWLUGUAJ-JTQLQIEISA-N	281.421	2.764	70	20	CFID	
CC(C)n1nccc1C(=O)Nc1cc(Cl)ccn1	161168906	YQNUMCVAQDCUBQ-UHFFFAOYSA-N	264.716	2.765	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)NCC1(CCOC)CC1	161139650	JQIDIXWAHRPKCG-CYBMUJFWSA-N	268.401	2.777	70	20	CFID	
C[C@H](C(=O)N[C@H]1CCc2ccccc21)C1CCOCC1	161052454	KPVAPMQHHYCPIN-LRDDRELGSA-N	273.376	2.853	70	20	CFID	
CN(C)C(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCCC(C)(C)C1	161056812	JTXPCKPTGXVRAI-KBPBESRZSA-N	294.439	2.672	70	20	CFID	
C[C@H](NCCc1ccc2c(c1)OCO2)c1ccco1	161144942	JSKCJOVJVOOLFO-NSHDSACASA-N	259.305	2.902	70	20	CFID	
Cc1cscc1NC(=O)c1cccc(-n2ccnn2)c1	161176148	VLZWBYLSOPFASV-UHFFFAOYSA-N	284.344	2.890	70	20	CFID	
CC(C)COc1cccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)c1	161359345	SJBIITWLCSRIIH-HUUCEWRRSA-N	290.407	2.721	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)c1cnn(Cc2ccccc2)c1	161392754	FEMDIVXCIRUGNN-OKILXGFUSA-N	283.375	2.944	70	20	CFID	
C[C@@H](NCC1(CO)CCCC1)c1ccc2c(c1)OCCO2	160080078	DJJHUTTVVVDYKG-CYBMUJFWSA-N	291.391	2.661	70	20	CFID	
C[C@@H](NC[C@H](C1CCCCC1)N(C)C)C1CCOCC1	160425331	CYQPIGQAAMNVPD-RHSMWYFYSA-N	282.472	2.902	70	20	CFID	
O[C@H]1CCCC[C@@H]1CNC1CCN(C2CCCCC2)CC1	160452132	ZEOKALWADUDHBO-QAPCUYQASA-N	294.483	2.924	70	20	CFID	
COc1ccc([C@@H](C)[C@@H](C)NCC(C)(C)O)cc1	160629775	GZZHSZHTEZYIFF-NWDGAFQWSA-N	251.370	2.548	70	20	CFID	
COC(C)(C)C[C@H](C)NC(=O)Cc1nc(C)sc1C	160895943	NCSNLSUQJCOXOS-VIFPVBQESA-N	284.425	2.622	70	20	CFID	
CN(C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CCCCC1	160909858	GEBSJZQDZGCJAG-CQSZACIVSA-N	293.455	2.977	70	20	CFID	
COc1ccc(NC(=O)N2CCOC3(CCC3)C2)c(C)c1	160993038	WZXNJHJVAVXDCA-UHFFFAOYSA-N	290.363	2.790	70	20	CFID	
Cc1nccc(NC(=O)NC[C@@H]2CCC[C@H](O)C2)c1Cl	159829721	GYNYTVOLYFQHSO-MNOVXSKESA-N	297.786	2.716	70	20	CFID	
Cc1cc(C)c2nc(NC(=O)c3cc[nH]c(=O)c3)sc2c1	159741701	LEVYADDUJQQMLF-UHFFFAOYSA-N	299.355	2.854	70	20	CFID	
O=C(NCCc1cc2ccccc2[nH]1)C1[C@H]2CCC[C@H]12	159592416	XHYXLBGAZFICIF-KBPBESRZSA-N	268.360	2.873	70	20	CFID	
COC(=O)c1ccc(OC)cc1OCc1nccs1	161176688	XOSJYCNWYGVCRM-UHFFFAOYSA-N	279.317	2.517	70	20	CFID	
Cc1ccc2c(CC(=O)N[C@@H]3CCC[C@@H]3CO)coc2c1	218042958	BBRJKIYFEIUMNS-IUODEOHRSA-N	287.359	2.561	70	20	CFID	
Cc1cccc(OCCN(C)C[C@H](O)Cc2ccccc2)c1	218763841	NFFRCLXXYQUTLR-GOSISDBHSA-N	299.414	2.909	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(Br)o1	160166017	ISPMCCKGBHJHKM-UHFFFAOYSA-N	284.153	2.962	70	20	CFID	
CCO[C@H]1C[C@H](NC(=O)C(CC)(CC)CN)C12CCCC2	161235234	CPOPBVSPAWYIAW-KBPBESRZSA-N	296.455	2.606	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@H]2CCSC2)o1	161402288	FOCQAKITNMLKLT-MLRMMBSGSA-N	265.378	2.819	70	20	CFID	
Cc1cc(C(=O)NCc2ccc(OC(C)C)cc2)ncn1	161484615	VKBNVCCJTUWZON-UHFFFAOYSA-N	285.347	2.502	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H]2C[C@@H]2C)c1C	160146948	WPSRJRLZRKCLHR-GXSJLCMTSA-N	250.346	2.522	70	20	CFID	
CCc1ccc([C@H](C)CC(=O)NCCN(C)CC)cc1	160148745	ZGTJYWWAJDKHIM-CQSZACIVSA-N	276.424	2.811	70	20	CFID	
CC[C@@H](NCCCN1CCCC[C@@H]1C)c1cnn(C)c1	160259408	GJVQJGGKNZHYOP-GOEBONIOSA-N	278.444	2.725	70	20	CFID	
CN(C(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)OCO2	160428047	NZEOPVWHARGCIG-UHFFFAOYSA-N	295.298	2.568	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(Cl)cc1F	160567652	QKADNEKANQKJFZ-QMMMGPOBSA-N	287.718	2.551	70	20	CFID	
CCO[C@@H]1C[C@H](N(C)Cc2cnc3ccccn23)C1(C)C	160569797	AGFVRXUSVUMGFY-LSDHHAIUSA-N	287.407	2.970	70	20	CFID	
CCc1c(C(=O)NC2CC=CC2)cnn1Cc1ccccc1	160819109	XXTYXCULODIQSD-UHFFFAOYSA-N	295.386	2.942	70	20	CFID	
CC[C@H](O)CCNC(=O)CCc1cc(C)cc(C)c1	159435890	QORVCFKSXJRRKK-HNNXBMFYSA-N	263.381	2.513	70	20	CFID	
Cc1ccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c(F)c1	159634233	DTFHMSNHPHUNML-NSHDSACASA-N	290.342	2.615	70	20	CFID	
Cc1nc(C)c(CCNC(=O)CCCn2cccc2)s1	159463120	SBTPBYRDFAONSW-UHFFFAOYSA-N	291.420	2.701	70	20	CFID	
CC(C)C1(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1	159706894	SNLLBNLDDSLTBJ-VXGBXAGGSA-N	268.401	2.678	70	20	CFID	
CCCOc1cc(F)ccc1NC(=O)c1cc[nH]c(=O)c1	159538173	DYCYOYPKDJETQO-UHFFFAOYSA-N	290.294	2.555	70	20	CFID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)CCC(C)C	159774772	YWHCPQJBIDJVAN-AWEZNQCLSA-N	284.425	2.840	70	20	CFID	
COc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159617163	GEFCQYZJMLABQL-OAGGEKHMSA-N	273.376	2.742	70	20	CFID	
CO[C@]1(CNC2CCC(C(F)(F)F)CC2)CCOC1	160124325	JZXZYCPLMFHACF-MCIGGMRASA-N	281.318	2.503	70	20	CFID	
C1CC[C@H](c2noc(CCC3CCNCC3)n2)SC1	160663284	ARYVTURZPVGBHF-GFCCVEGCSA-N	281.425	2.960	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NC[C@@H](C)CN2CCCC2)C1	161074551	AVMVUJAQPFNJDG-RBSFLKMASA-N	266.429	2.661	70	20	CFID	
C[C@H](C(=O)N1CCc2c(F)cccc2C1)c1cccnc1	161079823	VORNOVLZVAHCMQ-LBPRGKRZSA-N	284.334	2.909	70	20	CFID	
CC(C)c1cccc(OCC(=O)N2CCC(C)(O)CC2)c1	161268781	HDJBHPYRLVNQCN-UHFFFAOYSA-N	291.391	2.562	70	20	CFID	
CCO[C@@H](C(=O)N(C)Cc1cccn1C)c1ccccc1	160387407	IPMNMBGJNUJNAA-MRXNPFEDSA-N	286.375	2.761	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N1CCC[C@@](C)(O)C1	159642315	NLSLPPARLNSFGH-DZGCQCFKSA-N	270.417	2.759	70	20	CFID	
CCC[C@@](C)(NCCC(=O)c1ccc(C)cc1)C(=O)OC	159742454	DWHNMUCRBLSEFT-QGZVFWFLSA-N	291.391	2.889	70	20	CFID	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H]1CCOC1	159364869	CDXHEQUBVWMNOG-ZWNOBZJWSA-N	282.771	2.831	70	20	CFID	
Cc1occc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159952046	NONPFXXUYZHRRP-LBPRGKRZSA-N	263.337	2.810	70	20	CFID	
O=C(c1cccc(C(F)(F)F)c1)N1CC[C@]2(CCNC2)C1	159395964	WSTGUWDYBXYFLK-AWEZNQCLSA-N	298.308	2.531	70	20	CFID	
Cc1c(NCc2cnnn2C)cccc1C(F)(F)F	159429475	QRAIOMATULDKAG-UHFFFAOYSA-N	270.258	2.754	70	20	CFID	
CSCC[C@H](N)C(=O)N1CCCC2(CCCCC2)C1	159859379	VKFVASJERNJAMB-ZDUSSCGKSA-N	284.469	2.640	70	20	CFID	
CCCCC(=O)NC[C@@H]1CCCN1c1ccccc1	217806227	FRHANQQTCORLRA-HNNXBMFYSA-N	260.381	2.962	70	20	CFID	
O=S(=O)(Cc1cccc(Cl)c1)N1[C@H]2C=CC[C@H]1CC2	218759029	VCXGWLWADPBVII-KBPBESRZSA-N	297.807	2.963	70	20	CFID	
CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	813164599	GRTRNZCYWYKVOK-BXKDBHETSA-N	285.340	2.720	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H]1CCCc2cccnc21	217841253	HLYSRKASHSCBQV-UKRRQHHQSA-N	261.413	2.779	70	20	CFID	
CO[C@H]1C[C@H](Nc2ccc(C(F)(F)F)nn2)C1(C)C	218062154	ZTMNRRRIJLYCRJ-IUCAKERBSA-N	275.274	2.721	70	20	CFID	
CCC(=O)c1cccc(NC(=O)NOCC(C)C)c1	161205929	MLRHHTDVWBJVNT-UHFFFAOYSA-N	264.325	2.988	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](COC)C2CC2)c1C	161230828	JVDNHAIAFHVNIZ-CQSZACIVSA-N	294.399	2.538	70	20	CFID	
CC(C)Oc1ccc(CN[C@H](C)c2cnccn2)cn1	160066156	SUDUFJLHUFFZHQ-GFCCVEGCSA-N	272.352	2.510	70	20	CFID	
C[C@@H]1CCCN1[C@@H]1CCCN(c2ccccc2F)C1=O	160096238	VQAFEFRDVVJRMB-IUODEOHRSA-N	276.355	2.805	70	20	CFID	
C[C@H]1C[C@@H](NC[C@@H](C2CCCCC2)N(C)C)CCN1C	160392304	DFZNPADUUZNZCQ-XIRDDKMYSA-N	281.488	2.569	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)Cc1ccc(O)cc1Cl	160405438	JDOQDRHGMDFJHQ-UWVGGRQHSA-N	267.756	2.988	70	20	CFID	
C[C@H](C1CC1)N(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CC1	160451954	GJYGZRAPPKUMLY-XFJVYGCCSA-N	292.423	2.917	70	20	CFID	
CC[C@H](C)OCC(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1	160655866	MOLDSCQZIJJQHK-KKUMJFAQSA-N	298.471	2.674	70	20	CFID	
CCn1ccnc1CN1CCC(C(=O)c2ccccc2)CC1	160736467	MILPJUBUIPHMLI-UHFFFAOYSA-N	297.402	2.998	70	20	CFID	
Cn1cnnc1CN(C1CC1)[C@H]1CCCc2ccccc21	160834947	ANSQISCLKDAYRA-INIZCTEOSA-N	282.391	2.857	70	20	CFID	
C[C@@H](NC(=O)NC1CCCCC1)[C@@H](O)Cc1ccccc1	160959345	LIJAYKYEEDNUPC-CJNGLKHVSA-N	290.407	2.610	70	20	CFID	
CCN(CC(C)C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	160963881	MTSTVVSSSPYXHL-MCIONIFRSA-N	280.412	2.632	70	20	CFID	
O=C([C@@H]1CCCCN1)N1CC[C@@H](c2ccc(Cl)cc2)C1	159805675	JCUCUVITYKVDOO-HIFRSBDPSA-N	292.810	2.798	70	20	CFID	
O=C(Nc1ccccc1OC(F)F)[C@@H]1CCCCO1	159641687	PBYAXWFHIVNITL-NSHDSACASA-N	271.263	2.796	70	20	CFID	
Cc1noc(C)c1CNc1nnc(C2CC2)s1	160474487	QHXBRXLHLWDJHJ-UHFFFAOYSA-N	250.327	2.632	70	20	CFID	
CN(Cc1cn[nH]c1)C(=O)/C=C\c1ccc(Cl)cc1	216667711	DOUOAIZVYOOATM-DAXSKMNVSA-N	275.739	2.735	70	20	CFID	
Cc1ccc(CCNC(=O)NCc2ccc(CO)cc2)cc1	217307932	NMOUIDGOAKNASK-UHFFFAOYSA-N	298.386	2.529	70	20	CFID	
CN(CCOCC1CC1)CCc1ccc(F)cc1	159560173	OTWQMEMQEAHNSP-UHFFFAOYSA-N	251.345	2.727	70	20	CFID	
C[C@H](NCc1cncc(Br)c1)C1CC1	160561087	KDOSIKYUSLVSBU-QMMMGPOBSA-N	255.159	2.732	70	20	CFID	
O=C(NCc1ccc(CO)cc1)Nc1ccc(F)cc1	217268772	BIGRUHXAKVZVGN-UHFFFAOYSA-N	274.295	2.640	70	20	CFID	
Cc1ccc(C)c(NCc2nnc3n2CCCC3)c1	217317762	BIPXSFNSIIQKPS-UHFFFAOYSA-N	256.353	2.843	70	20	CFID	
CCO[C@@H]1C[C@H](NCc2cnn3ccccc23)C1(C)C	217871429	GGKBAJIKXNLARV-LSDHHAIUSA-N	273.380	2.628	70	20	CFID	
O=S(=O)(Cl)CCc1cccc(Cl)c1F	106922708	DODAPCWZLXARQD-UHFFFAOYSA-N	257.113	2.590	70	20	CFID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2	161127379	CQHIRTHDGCOYKD-CFVMTHIKSA-N	290.407	2.939	70	20	CFID	
Cc1ccccc1-n1cnnc1SCc1ccnn1C	161188494	LHDISDPPXLXEDF-UHFFFAOYSA-N	285.376	2.602	70	20	CFID	
CCOCCC1(CNC(=O)C2(C)CCC2)CCC1	161263084	KUVZCFQWRCZVTD-UHFFFAOYSA-N	253.386	2.890	70	20	CFID	
COc1cc(C(=O)N[C@H](C)CCC(C)C)cc(OC)c1O	161286748	CBCWVTYZVXCTIC-LLVKDONJSA-N	295.379	2.964	70	20	CFID	
CS[C@H](C)CNC(=O)C[C@@H](C)c1c(C)noc1C	161311905	HWQDUMUGCWOWGB-RKDXNWHRSA-N	270.398	2.653	70	20	CFID	
CC(C)(C)c1nsc(N2CCC(NC3CC3)CC2)n1	160026647	IMTXAMZRWAUHMZ-UHFFFAOYSA-N	280.441	2.556	70	20	CFID	
CNC(=O)c1ccc(NC(=O)CC(C)C)c(Cl)c1	160328727	PFKHCNBRDFNFNM-UHFFFAOYSA-N	268.744	2.684	70	20	CFID	
CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1	160333233	CRBKIAJGSUKAKZ-CVEARBPZSA-N	284.407	2.951	70	20	CFID	
CC[C@H](C)NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	160460920	GTBVZPXVCVFFEN-QMMMGPOBSA-N	291.317	2.519	70	20	CFID	
CCN(C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCCC1	160641419	TWESKKCYLQXWFF-HNNXBMFYSA-N	293.455	2.835	70	20	CFID	
CCCn1c(C)nnc1CN1C[C@H]2CCCC[C@H]2C1	160703865	CFXKUJUCMXCQOJ-OKILXGFUSA-N	262.401	2.619	70	20	CFID	
Cc1cc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1C	159648160	IXXNRVHUARXAKB-CHWSQXEVSA-N	298.390	2.507	70	20	CFID	
CC(C)[C@H](C)N(C(=O)NCCc1cscn1)C1CC1	159454476	IFZFANLIVGMIDF-NSHDSACASA-N	281.425	2.904	70	20	CFID	
C[C@@]1(NC(=O)Nc2cccc(Cl)c2F)CCOC1	159659952	QJKYASRORNTIOQ-GFCCVEGCSA-N	272.707	2.780	70	20	CFID	
CCCOc1ccc(CN[C@@H](C)C(=O)N2CCCC2)cc1	159702069	BGDVPCBMIHYENB-AWEZNQCLSA-N	290.407	2.576	70	20	CFID	
CC(C)CCn1ccc(N[C@@H](C)C(=O)N(C)C(C)C)n1	159928713	FJNFKKXETQXCQJ-ZDUSSCGKSA-N	280.416	2.596	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@@H](COC)C2CC2)c1	159944106	PMNASOWUKKKWDO-INIZCTEOSA-N	290.407	2.940	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CCOCC(F)(F)F	159562367	OMDSBCBTEALFEW-UWVGGRQHSA-N	267.291	2.650	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1	159384301	QZKGRLWJSVLJOX-CQSZACIVSA-N	259.349	2.908	70	20	CFID	
CN(Cc1cc(-c2cccs2)on1)C[C@@H]1CCC[C@@H]1O	159491340	UBDZRRFEAIZPEN-AAEUAGOBSA-N	292.404	2.996	70	20	CFID	
CCOC1CC(Nc2cccc(N3CCOC3=O)c2)C1	159720437	RGENJDZZMUOIJG-UHFFFAOYSA-N	276.336	2.623	70	20	CFID	
Cc1c(CN[C@@H](C)Cc2ccccc2F)cnn1C	160755638	ODJIXDITUNSDSV-NSHDSACASA-N	261.344	2.588	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1	160966689	SWUQHLTVTBPNKV-VHSXEESVSA-N	287.190	2.993	70	20	CFID	
COc1cc(NC(=O)c2ccnc(F)c2)ccc1F	160237457	BSVKNPNMEVGOMQ-UHFFFAOYSA-N	264.231	2.621	70	20	CFID	
CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	776367693	CDNXEYOCILDWHB-NXEZZACHSA-N	287.356	2.966	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)NC[C@@H]1CCOC1	161104936	IMKYSSFCVNYEDI-QWHCGFSZSA-N	253.386	2.746	70	20	CFID	
CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCC[C@H](N)C1	161226667	DKFGQECWYHXQOJ-DZKIICNBSA-N	290.407	2.539	70	20	CFID	
CC[C@H]1CO[C@@H](C)CN1C(=O)c1cccc(C)c1F	161404752	CORGVWNSJRTQHF-RYUDHWBXSA-N	265.328	2.774	70	20	CFID	
CNC(=O)c1ccc(NC(=O)c2ccc(C)o2)c(Cl)c1	160309571	YXGWEQYTEJVJAB-UHFFFAOYSA-N	292.722	2.853	70	20	CFID	
CC(C)[C@@H]1CCCC[C@@H]1NCc1cc(=O)n2ccccc2n1	160356263	IMRPBCLVHXSQDE-HOTGVXAUSA-N	299.418	2.999	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)o1	160398148	QWIBUIJQTPLKQC-CNQUTIHQSA-N	289.375	2.785	70	20	CFID	
CC[C@@H](COC)NCc1ccc(N2CCC(C)CC2)nc1	160508991	HJDFWSRSIQSJCF-INIZCTEOSA-N	291.439	2.833	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@H](CCO)C2)c1Cl	159817119	AMHZPXWOJJNKLZ-LLVKDONJSA-N	297.786	2.670	70	20	CFID	
C[C@H](NC(=O)C[C@H]1CCCN1)c1ccc(F)cc1Cl	159630668	YNRQCVQSBDAMBF-GXSJLCMTSA-N	284.762	2.798	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N(C)CCOc1ccccc1	159445008	ISDMPHIQTDJQDM-GOEBONIOSA-N	261.365	2.960	70	20	CFID	
Cc1ccc(C)c(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	159693379	IKZNGTAZMNLGCQ-BETUJISGSA-N	262.353	2.728	70	20	CFID	
CN(C(=O)Nc1cc(F)ccc1F)[C@H]1CCSC1	159365695	XXXADIPZKNYKKQ-VIFPVBQESA-N	272.320	2.934	70	20	CFID	
O=C(Oc1ccccc1Br)[C@@H]1CCCCO1	159952222	JNKMFZSHSGUQSU-NSHDSACASA-N	285.137	2.924	70	20	CFID	
CC(C)(C)C[C@H](CO)Nc1ccnc(C(C)(C)C)n1	161456699	DEFZKAJIEFMMFD-LLVKDONJSA-N	265.401	2.983	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1CO)c1cc2c(s1)CCCCC2	218015002	ODQNOXSCGSOTKJ-STQMWFEESA-N	293.432	2.908	70	20	CFID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1cncs1	161048742	KTZRRMJAVHPDAS-UTUOFQBUSA-N	253.415	2.667	70	20	CFID	
CCCn1nc(C)c(C(=O)Nc2ccc(OC)nc2)c1C	161235570	PDVFCTCRZZXMGC-UHFFFAOYSA-N	288.351	2.566	70	20	CFID	
C[C@@H](NC(=O)Nc1cccc2c1OCCO2)C1CCC1	161470370	LDERABNOJWDLGK-SNVBAGLBSA-N	276.336	2.768	70	20	CFID	
C[C@@H]1CN(C(=O)CCc2ccc(F)cc2F)CC(C)(C)O1	161473621	PHMJTKRYNVZRDD-LLVKDONJSA-N	297.345	2.923	70	20	CFID	
CCO[C@H](CCNC(=O)CO[C@H](C)CC)C1CCCC1	160046069	AKQXYPBANCZEKA-UKRRQHHQSA-N	285.428	2.903	70	20	CFID	
C1C[C@H](Nc2nc(C3CC3)ns2)C[C@@H](C2CC2)O1	160387421	ZZCUSLXFWYRBAC-QWRGUYRKSA-N	265.382	2.785	70	20	CFID	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@H](C)CO	160561587	YTINNCFAHGOJLD-CHWSQXEVSA-N	293.407	2.591	70	20	CFID	
Cc1cc(C[C@@H](C)NC(=O)NCC2(C3CC3)CCC2)n[nH]1	160749736	BJDOCYHBZVXAGJ-LLVKDONJSA-N	290.411	2.529	70	20	CFID	
Cc1cc(N[C@@H](C)C(=O)NCCC2=CCCCC2)nn1C	159612790	LKXJQTURPAZKEZ-ZDUSSCGKSA-N	290.411	2.536	70	20	CFID	
C[C@H](C(=O)NCCc1cscn1)c1cccs1	159477539	MTDOAXIBUHTSHL-VIFPVBQESA-N	266.391	2.667	70	20	CFID	
CC(C)[C@@H](NC(=O)Cn1cc(C2CC2)nn1)c1ccccc1	159894912	QHRWRCWQFVFNQM-QGZVFWFLSA-N	298.390	2.669	70	20	CFID	
CC(C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	187236610	COBWWXGICWIQGS-VIFPVBQESA-N	273.329	2.575	70	20	CFID	
CC(C)(C)C[C@@H](O)CNc1ccc(C(F)(F)F)nn1	218022563	VAWFNTMKBJPDNK-MRVPVSSYSA-N	277.290	2.704	70	20	CFID	
CC[C@H](c1ccc(OC)c(OC)c1)S(=O)(=O)Cl	309801453	SEHPIJVQJYIPME-LLVKDONJSA-N	278.757	2.724	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2o1	161300055	FVZWBGZIDIUXNP-LBPRGKRZSA-N	292.766	2.910	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccccn3)[nH]2)C1	161482797	OGPYYEBIRYVPNN-MNOVXSKESA-N	285.351	2.632	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@H]1CCCC[C@H]1C	160104182	WRBXWMQPLYDCJY-KGLIPLIRSA-N	298.427	2.938	70	20	CFID	
C[C@@H](CC(=O)Nc1cccc2c1OCCO2)c1ccncc1	160176421	DJTRSJPTQPPCEQ-LBPRGKRZSA-N	298.342	2.985	70	20	CFID	
C[C@@H](NC[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCOC1	160396648	PZENLXXABSUEQI-BMFZPTHFSA-N	268.445	2.512	70	20	CFID	
CCOC(=O)Cc1csc(NC(=O)[C@@H]2C[C@@]2(C)CC)n1	160406735	OZCBGUHDZNHUSL-IINYFYTJSA-N	296.392	2.623	70	20	CFID	
Cc1cc2c(cc1C)O[C@H](C(=O)N(C)Cc1cccn1C)C2	160499206	GUIJEOHEKOOJHG-KRWDZBQOSA-N	298.386	2.604	70	20	CFID	
CC[C@H]1CN(Cc2c(C)nc3ccccn23)CCS1	160883847	GKBAUUOHISBUPC-ZDUSSCGKSA-N	275.421	2.970	70	20	CFID	
c1cn2c(CN[C@H]3CCCc4sccc43)cnc2cn1	160952383	ZTJYXVBCXJDMGH-ZDUSSCGKSA-N	284.388	2.958	70	20	CFID	
Cc1cc(C)n(-c2ccc(CN3CCCC[C@@H]3CO)cc2)n1	159804714	PKSIBNCFTKAGNZ-GOSISDBHSA-N	299.418	2.836	70	20	CFID	
O=C(CCc1ccccn1)NCCc1cc2ccccc2[nH]1	159626105	ZICLNQIEBMGTHC-UHFFFAOYSA-N	293.370	2.854	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCCOCC(F)(F)F)C1	159727296	OCSNNYLNYZFEBU-VHSXEESVSA-N	267.291	2.508	70	20	CFID	
CCc1nc(C(=O)NC[C@@H](C)c2nc(C)cs2)co1	159769153	JJEOODDKMHVYFY-MRVPVSSYSA-N	279.365	2.535	70	20	CFID	
CCC(CC)(CN)C(=O)Nc1ccc(F)c(OC)c1	160225366	BKIVHFYDLNZXFU-UHFFFAOYSA-N	268.332	2.538	70	20	CFID	
CCNc1ccc(Cl)cc1C(=O)NCCOC(C)C	161211676	OMFSAIGWQLAURI-UHFFFAOYSA-N	284.787	2.927	70	20	CFID	
Cc1cccc(C(=O)N2CCCC3(C2)OCCO3)c1Cl	160338104	BKWVIHKIJYEOCW-UHFFFAOYSA-N	295.766	2.628	70	20	CFID	
COC(=O)c1ccc(CSCc2noc(C)n2)s1	159710130	IVVNJWRQWMVBKV-UHFFFAOYSA-N	284.362	2.660	70	20	CFID	
CCCN(CC)CCNc1ccc(C(F)(F)F)nn1	218054784	OYSAWZRGCOEQMN-UHFFFAOYSA-N	276.306	2.639	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCNC1	161052842	UKBGTONPXNRLFG-TZMCWYRMSA-N	294.826	2.729	70	20	CFID	
CCO[C@@H](CC)C(=O)NCCc1cc2ccccc2[nH]1	161099954	RUSQQECNZNVBHP-HNNXBMFYSA-N	274.364	2.642	70	20	CFID	
C[C@@H](CC(=O)N[C@@H]1CCCSC1)c1ccncc1	161253335	TVXFYOWISSWLJN-WCQYABFASA-N	264.394	2.587	70	20	CFID	
CC(=O)NC1CCC(N[C@@H](C)Cc2ccccc2F)CC1	161343301	MHPXZLJXGQKFFN-JQRITLKVSA-N	292.398	2.794	70	20	CFID	
CCc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1	161458209	MXZCSWQLTRQZSX-UHFFFAOYSA-N	298.268	2.567	70	20	CFID	
Cc1cncc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	160078252	MRDWTTGOPJNEGJ-CQSZACIVSA-N	274.364	2.612	70	20	CFID	
C[C@H](NCCN1CCC(N(C)C)CC1)c1ccccc1F	160150002	XAEOEDYRDMETDD-AWEZNQCLSA-N	293.430	2.502	70	20	CFID	
C[C@H](NC[C@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160403578	RFVJDYOXCIGTAY-XJKSGUPXSA-N	278.444	2.581	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](C)[C@H](C)C1	160531376	CZCCHXSKMWOMNU-ZYHUDNBSSA-N	289.379	2.604	70	20	CFID	
COCc1ccc([S@@](=O)Cc2nccs2)cc1	160684692	HHSHKDIJIPRDMP-QGZVFWFLSA-N	267.375	2.597	70	20	CFID	
C[C@@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1CC1(C)C	160863335	ZBDGPCXFPMHVGA-ONGXEEELSA-N	283.318	2.894	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1	160880918	MRVSOQHJVXSMDZ-LSDHHAIUSA-N	290.382	2.634	70	20	CFID	
COC[C@H]1CCCN1C(=O)CCc1ccc(F)cc1F	160892531	SZKSLFLSLAENAN-CYBMUJFWSA-N	283.318	2.535	70	20	CFID	
Cc1cccc([C@H](C)C(=O)NCCc2cccnc2)c1	159403983	FSAVKDQPXUWHCW-AWEZNQCLSA-N	268.360	2.852	70	20	CFID	
c1ccc2sc(N3CCOC[C@H]3C3CC3)nc2c1	159638575	QASPKRBXJUDGNQ-LBPRGKRZSA-N	260.362	2.912	70	20	CFID	
COCC(C)(C)C(=O)N1CCc2c(F)cc(F)cc2C1	159910738	JGHBXGAQJOZAQJ-UHFFFAOYSA-N	283.318	2.522	70	20	CFID	
CCOC(=O)CCC(=O)Nc1ccc(OCC)c(F)c1	159694468	VJJYYGPZEQKPBZ-UHFFFAOYSA-N	283.299	2.506	70	20	CFID	
CCn1nccc1CNc1ccc(-n2ccnc2)cc1	160069596	OBQGCPMKPNFXEY-UHFFFAOYSA-N	267.336	2.701	70	20	CFID	
CCOCCCN1CCO[C@@H](c2ccccc2F)C1	160369595	KXGWXAVVWPXJGZ-OAHLLOKOSA-N	267.344	2.626	70	20	CFID	
CCc1cc(O)nc(CN(C)[C@H]2CCCC[C@@H]2C)n1	160756901	SKUYTNJXQNWSIB-AAEUAGOBSA-N	263.385	2.755	70	20	CFID	
Cc1nccc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1	160867715	RNZKLYKKNXOYIK-CJNGLKHVSA-N	282.391	2.860	70	20	CFID	
CCN(C(=O)[C@H](C)N)[C@@H](C)c1cccc(C(F)(F)F)c1	161115228	GNTHBRXZKWXSPI-UWVGGRQHSA-N	288.313	2.962	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](N)C(C)C)c1ccc(F)cc1F	161210203	BGFKKJSQVLRMIO-OLZOCXBDSA-N	270.323	2.515	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1	161281975	ADZJYZGFBHAASG-GHMZBOCLSA-N	293.436	2.896	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2	160028497	XOCLJNJROYXWTC-WBMJQRKESA-N	275.348	2.810	70	20	CFID	
COc1ccc(N(C)C(=O)c2cccn2C)cc1Cl	160215041	KFJSGEXFMLLYCL-UHFFFAOYSA-N	278.739	2.964	70	20	CFID	
CC(C)CCN(C)C(=O)Nc1ccn(CC(F)(F)F)n1	160294597	FIMATPJKCDQQIL-UHFFFAOYSA-N	292.305	2.955	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)N1CCC1	160461650	FVMQNVHXCABFJX-GJZGRUSLSA-N	258.365	2.813	70	20	CFID	
O=C(NCC(F)(F)F)Nc1cc(F)c(F)cc1F	160520744	RTEBECVEVTUPPQ-UHFFFAOYSA-N	272.148	2.788	70	20	CFID	
CC(C)(C)c1nc(CCNC(=O)[C@H]2CCCOC2)cs1	160692975	ISIYWBKLQVQVEL-NSHDSACASA-N	296.436	2.526	70	20	CFID	
O=C(NC1CC=CC1)C1(c2cccc(F)c2)CCOCC1	160775267	PLEURSXMTRZPOL-UHFFFAOYSA-N	289.350	2.709	70	20	CFID	
C[C@H]1C[C@H](NCc2ccc(CN(C)C)cc2)[C@H](C)CN1C	160868112	MTKASRLHHGLLJP-VKJFTORMSA-N	289.467	2.567	70	20	CFID	
CCCCN1CCc2ccc(NC(=O)[C@H](C)N(C)C)cc21	160939852	QBGZOLBOPADAOG-ZDUSSCGKSA-N	289.423	2.738	70	20	CFID	
CCc1cc(NC(=O)c2cc(C)c(C)o2)nc(C)n1	160980665	YOGIOCREZHSKCJ-UHFFFAOYSA-N	259.309	2.810	70	20	CFID	
CS[C@H](C)C(=O)NCCOc1ccccc1Cl	159397735	LVIHLNUUUGVIIQ-SECBINFHSA-N	273.785	2.587	70	20	CFID	
CC[C@H](OC)c1nc(-c2ccc(Br)cn2)no1	218612708	JWXNCPMMHQGAEN-VIFPVBQESA-N	298.140	2.992	70	20	CFID	
C[C@@H]1SCCN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)[C@H]1C	217233765	WKOGIJGTHXHFNX-QPSCCSFWSA-N	298.496	2.849	70	20	CFID	
COc1cc(CN(C)CCOCC2CC2)cc(OC)c1	159600315	FKRGVYVXZDBLNB-UHFFFAOYSA-N	279.380	2.562	70	20	CFID	
CN(CCc1ccncc1)Cc1cccc(N(C)C)c1	159791891	YASJDCSTLFDVTE-UHFFFAOYSA-N	269.392	2.822	70	20	CFID	
Brc1cncc(CNC[C@@H]2CCCS2)c1	160589092	GHOSFXCHXRUZDF-NSHDSACASA-N	287.226	2.829	70	20	CFID	
CCCCCCCCOCCS(=O)(=O)Cl	112155361	HAEFJOYOXOVZLO-UHFFFAOYSA-N	256.795	2.932	70	20	CFID	
C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1120866611	SUQLERZUJAITCW-PHIMTYICSA-N	299.367	2.748	70	20	CFID	
CC(C)NC(=O)NCCc1cccc(Br)c1	217312828	WMHXSUMQKOTAPO-UHFFFAOYSA-N	285.185	2.699	70	20	CFID	
C[C@@H]1CC(C)(C)CN1C(=O)c1cccc(S(=O)(=O)F)c1	1517954626	DQRZCNHORCGUJL-SNVBAGLBSA-N	299.367	2.605	70	20	CFID	
CCCn1ccc2ccc(NC(=O)[C@H]3CSCN3)cc21	161281005	WUSUDKCCWXBFGV-CYBMUJFWSA-N	289.404	2.652	70	20	CFID	
CCOc1ccccc1N(C)S(=O)(=O)C[C@H](C)CC	161329339	OTLZKEJWGBKKPY-GFCCVEGCSA-N	285.409	2.897	70	20	CFID	
Cc1cccc(S(=O)(=O)CCc2c(C)noc2C)c1	160004896	SKXYBYRDUPSLPD-UHFFFAOYSA-N	279.361	2.616	70	20	CFID	
CC[C@@H]1c2ccccc2CCN1C(=O)CCNC(C)C	160132748	GVRPGFQEAJMVMS-MRXNPFEDSA-N	274.408	2.911	70	20	CFID	
C[C@@H](O)C[C@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3	160192627	XSYGTWNFJGTFOP-NNKSGKNISA-N	291.435	2.821	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NC1C[C@@H](C)O[C@H](C)C1	160203631	NUMVMATWSKIDQU-QJPTWQEYSA-N	256.390	2.676	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1	160244864	KRWHLSLYYQAAQH-LBPRGKRZSA-N	294.826	2.729	70	20	CFID	
CC[C@@H](C)NC(=O)NC[C@@H](C)COc1ccccc1OC	160568906	HVUGJJVFFHWYQM-CHWSQXEVSA-N	294.395	2.808	70	20	CFID	
CC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1	159809604	JQMPMGLKQGCRQQ-ZDUSSCGKSA-N	293.392	2.614	70	20	CFID	
CC[C@@H](COC)NC[C@H](C)N1CCc2sccc2C1	159878546	KMXBVUXRINMWAI-JSGCOSHPSA-N	282.453	2.509	70	20	CFID	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1(C)CC1	159762950	UMQVIKBFXZRBGY-GFCCVEGCSA-N	284.363	2.587	70	20	CFID	
Cc1ccc(C(=O)CCN(CCCCO)C2CC2)cc1	159797460	AZGCMJDOMZWTQN-UHFFFAOYSA-N	275.392	2.805	70	20	CFID	
CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(N)c2)C1	159574503	AQTIWJVYRZRRAN-QWHCGFSZSA-N	278.421	2.981	70	20	CFID	
CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]cnc12	159799026	JMLWMQFJWDTMPI-WCQYABFASA-N	289.404	2.967	70	20	CFID	
CCN(CCCO)C(=O)Cc1coc2cc(C)ccc12	160474551	VYMXNHXPFNHNAP-UHFFFAOYSA-N	275.348	2.515	70	20	CFID	
CCOc1ccccc1-c1cc(S(=O)(=O)Cl)on1	521400370	KAEFGVGNVUZYMA-UHFFFAOYSA-N	287.724	2.668	70	20	CFID	
Cc1nc(CNC(=O)c2c(F)cc(F)cc2F)cs1	161005073	ZUSNGMHBWUSTAX-UHFFFAOYSA-N	286.278	2.799	70	20	CFID	
CC(C)(C)n1nc(C(=O)NC2CC=CC2)cc1C1CC1	161021054	UGFUZGCLWJFHMZ-UHFFFAOYSA-N	273.380	2.964	70	20	CFID	
C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H](C)O1	160490073	AECOUWCIGGQGBG-OCAPTIKFSA-N	289.709	2.868	70	20	CFID	
COc1ccccc1SCc1nc([C@H]2CCOC2)no1	160889525	CQWOXRNXPAMSTM-JTQLQIEISA-N	292.360	2.874	70	20	CFID	
CCCn1c(C)nnc1CN(C)[C@@H](C)C1(C)CC1	160919036	OPQORFYQVWJGTM-NSHDSACASA-N	250.390	2.617	70	20	CFID	
CC1=C(C(=O)NCCOc2ccc(Cl)cc2)CCCO1	159652602	FVXHLEHUDRSPJN-UHFFFAOYSA-N	295.766	2.919	70	20	CFID	
C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN)cc1	159878945	AYNKDUWENGMRDU-MAZHCROVSA-N	272.392	2.939	70	20	CFID	
Cc1cc(NC(=O)c2cccc(Cl)c2)c[nH]c1=O	159495024	GFKBSFZCYSSEBQ-UHFFFAOYSA-N	262.696	2.589	70	20	CFID	
O=C(NC[C@H]1CCCCN1)c1cc2ccc(F)cc2s1	161198312	RVAHFDGNWBWFJD-GFCCVEGCSA-N	292.379	2.912	70	20	CFID	
CCCCc1ccc([C@@H](C)N[C@@H](C)CC(N)=O)cc1	161359151	JRHKFPYIDJDOMM-QWHCGFSZSA-N	262.397	2.944	70	20	CFID	
C=C(C)C(C)(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460094115	RELXVDCROUYOOG-UHFFFAOYSA-N	285.340	2.886	70	20	CFID	
CC[C@@H](C)[C@H](O)CNC(=O)c1cc(F)c(Cl)cc1F	160040370	IRJGKNLHXCTXAG-JMCQJSRRSA-N	291.725	2.755	70	20	CFID	
C/C=C(\C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318959	LECRNEQSBLUINH-FPYGCLRLSA-N	289.303	2.530	70	20	CFID	
C[C@H]1CN(C[C@@H](O)c2cc3ccccc3o2)CCCO1	217603558	MYRORXNAGJOYDJ-GXTWGEPZSA-N	275.348	2.577	70	20	CFID	
c1cc(CN[C@H]2CCN3CCCC[C@@H]23)c2[nH]ccc2c1	218109357	MYOQIJPKIRCXTL-HOTGVXAUSA-N	269.392	2.884	70	20	CFID	
Cc1cc(Cl)cc2c1OCC(S(=O)(=O)Cl)=C2	100645379	FVAAZFVYSNWJJS-UHFFFAOYSA-N	279.144	2.950	70	20	CFID	
COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCC[C@H](N)C1	161056770	OWDDPOAPEAFTIB-RDBSUJKOSA-N	290.407	2.575	70	20	CFID	
CCO[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCCCC2	161179247	YXSFAJOTXUTJJU-MELADBBJSA-N	296.455	2.604	70	20	CFID	
CNC(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)c(Cl)c1	160289741	UVELAUSCKDVUMK-SNVBAGLBSA-N	292.766	2.994	70	20	CFID	
CCOC(=O)[C@H](CC)SCc1ncc(Cl)n1C	160442682	QRYYWAIWZPIAOO-QMMMGPOBSA-N	276.789	2.648	70	20	CFID	
C1CCN(C[C@H]2CCCN2c2nc(C3CC3)ns2)CC1	160429945	FODQFMYNSXIKAC-CYBMUJFWSA-N	292.452	2.870	70	20	CFID	
CC[C@@H](N[C@@H](C(N)=O)C(C)C)c1ccc(F)cc1F	160897557	SMKCYINFONRYFN-CHWSQXEVSA-N	270.323	2.515	70	20	CFID	
CCc1c(C(=O)NCCc2ccco2)cnn1CC(C)C	159485709	UQVNSPMMPIWXBC-UHFFFAOYSA-N	289.379	2.667	70	20	CFID	
CC(C)CCNC(=O)[C@H](C)Nc1ccn(CCC(C)C)n1	159885562	BVCDQLNUKHLGTK-AWEZNQCLSA-N	294.443	2.892	70	20	CFID	
CCO[C@@H]1CCCN(C(=O)c2ccc(Cl)c(OC)c2)C1	159931455	OBLRKICVKHEDCY-GFCCVEGCSA-N	297.782	2.990	70	20	CFID	
CN(C)c1cccc(C(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@H]23)c1	159548711	SHYXCDPNTMPWFD-SQNIBIBYSA-N	292.382	2.821	70	20	CFID	
CC(C)OC(=O)[C@@H](C)N(C)c1nc(C(C)(C)C)ns1	159978965	WKDMNCOESHUYNN-SECBINFHSA-N	285.413	2.612	70	20	CFID	
O=C(CC(F)(F)F)N[C@@H]1CCOC2(CCCC2)C1	159799042	VBVBYKRHKMMLKB-SECBINFHSA-N	265.275	2.547	70	20	CFID	
CCCn1nccc1CNc1ccc2c(c1)CCO2	160064472	LQTOBCVZVZLYKC-UHFFFAOYSA-N	257.337	2.840	70	20	CFID	
CC(C)(C)C[C@H](CO)Nc1cnc2ccccc2n1	161406081	AIFQHDNPWNIIDM-LLVKDONJSA-N	259.353	2.839	70	20	CFID	
CCSCCN1CCN(Cc2csc(CC)n2)CC1	159608164	NITUNTCEBQOHQO-UHFFFAOYSA-N	299.509	2.576	70	20	CFID	
COc1ccc(CCOc2ccc(CCO)cc2)cc1	218182950	JINMKYDGZICTIY-UHFFFAOYSA-N	272.344	2.852	70	20	CFID	
CC1(C)C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1	161049935	UTHYUVDPLIEBCC-WFASDCNBSA-N	290.382	2.814	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1	161448165	FZYLZZYYTAWTGG-BLLLJJGKSA-N	298.386	2.832	70	20	CFID	
CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](CC(C)C)C1	161475085	MTDGSVGVFGHMTQ-MCIONIFRSA-N	254.418	2.645	70	20	CFID	
CC(C)Oc1ccc(CN[C@H]2C[C@H](C)N(C)C[C@H]2C)cn1	160065581	GSMKIWLYLZYKAP-YCPHGPKFSA-N	291.439	2.687	70	20	CFID	
COCCOc1cccc(NC(=O)C[C@H](C)SC)c1	160339885	TZYFAJGGMFSKDA-NSHDSACASA-N	283.393	2.792	70	20	CFID	
c1ccc2[nH]c(N[C@H]3CCO[C@@H](C4CC4)C3)nc2c1	160397607	WOWSMURIMUPWTA-SMDDNHRTSA-N	257.337	2.932	70	20	CFID	
CC1CCN(CCNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1	160552942	ODIYJYDJYYXVGV-HUUCEWRRSA-N	266.429	2.661	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1CC[C@H](N)C1)c1cc(F)ccc1F	160657459	LOTDFYVYKMSTRE-NURSFMCSSA-N	282.334	2.660	70	20	CFID	
Cc1ccc(OCC(=O)N(C)Cc2cccn2C)c(C)c1	160757608	ZKJCQMCXHGTOGJ-UHFFFAOYSA-N	286.375	2.679	70	20	CFID	
COc1cccc(Cl)c1C(=O)Nc1c[nH]c(=O)c(C)c1	159668315	KFKKIYUMKINXSL-UHFFFAOYSA-N	292.722	2.598	70	20	CFID	
CCCN1CCCN(C(=O)[C@H](C)c2cccs2)CC1	159930297	OZNZFQVCWYJSGS-CYBMUJFWSA-N	280.437	2.796	70	20	CFID	
O=S(=O)(Cl)c1csc(-c2ccc(F)cc2)n1	100609299	XULJACLVRVTLIL-UHFFFAOYSA-N	277.729	2.877	70	20	CFID	
CCSCC[C@@H](C)NC[C@H](O)COc1ccccc1	160099517	SUWQFNNSCBONCY-KGLIPLIRSA-N	283.437	2.548	70	20	CFID	
NC[C@@H](c1ccccc1)c1nc([C@H]2CCCS2)no1	160599545	IOLOXROWFOJQME-NWDGAFQWSA-N	275.377	2.728	70	20	CFID	
CCc1nc(CN[C@H](c2ccccc2)C2CC2)n[nH]1	160541312	KJRUCSTVQQYGBP-OAHLLOKOSA-N	256.353	2.608	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	161055079	TYMSFHKSOZJNNX-OAGGEKHMSA-N	274.408	2.641	70	20	CFID	
CS[C@@H](C)CNc1ccc(C(F)(F)F)nn1	161056897	WUDDUFQXODOEQF-LURJTMIESA-N	251.277	2.659	70	20	CFID	
CCC(CC)c1cc(CNC(=O)CC2CCNCC2)on1	161110822	XRRRIJCSDPNMTC-UHFFFAOYSA-N	293.411	2.584	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1Cc1ccc(COC)cc1	161256092	HLFIZBMPKDVWEX-INIZCTEOSA-N	291.391	2.751	70	20	CFID	
O=C(/C=C/C1CCOCC1)N[C@@H]1CCOC2(CCCC2)C1	161358030	INYKTYVAFOJULK-NHZBNJEXSA-N	293.407	2.577	70	20	CFID	
CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)CC(C)C)c1	161437893	UGVMJGPDWCEEQR-STQMWFEESA-N	298.452	2.680	70	20	CFID	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C1CCCC1	161474226	XUDCCANLLDSGRW-VXGBXAGGSA-N	282.428	2.622	70	20	CFID	
C[C@@H](CC(=O)NOCc1cccnc1)c1ccccc1	160756769	YYFNJIZPUDOIQQ-ZDUSSCGKSA-N	270.332	2.823	70	20	CFID	
COC(=O)C1(N(C)Cc2ccncc2Cl)CCCC1	159428614	MEYXHRHWSQENGC-UHFFFAOYSA-N	282.771	2.653	70	20	CFID	
Cc1cnc(COC(=O)c2noc3c2CCCCC3)o1	159451611	JUJQMJSHASHTEY-UHFFFAOYSA-N	276.292	2.597	70	20	CFID	
O=C(c1cc2ccccn2c1)N1CCC(NCC2CC2)CC1	159862961	NOQUBRRMQJVHEE-UHFFFAOYSA-N	297.402	2.544	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H](C)OCC2CC2)cc1F	159363895	HDASDTCUTBRPGW-SNVBAGLBSA-N	281.327	2.612	70	20	CFID	
CCCn1nccc1CNc1ccc2[nH]ncc2c1	160030111	KUVJZUSIXSWYPY-UHFFFAOYSA-N	255.325	2.782	70	20	CFID	
CCOC(=O)C(C)(C)C(=O)N[C@@H]1CCCc2sccc21	160271628	DMAZZBBYHODVRP-LLVKDONJSA-N	295.404	2.831	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)CCc1cc(Cl)cs1	160724295	REMAROGODWKVQB-LLVKDONJSA-N	289.828	2.857	70	20	CFID	
C[C@@H]1Sc2ccccc2N(Cc2ncnn2C)[C@@H]1C	161247536	KTXADETYHCYFCF-MNOVXSKESA-N	274.393	2.704	70	20	CFID	
Cc1ccccc1OCCN[C@H]1CCCc2c1cnn2C	161362607	WSCLGTIDJJORAX-HNNXBMFYSA-N	285.391	2.775	70	20	CFID	
Cc1cccc(C(=O)N(C)Cc2cscn2)c1F	161480410	VKUHUQCBTRHCFU-UHFFFAOYSA-N	264.325	2.863	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)c1cc[nH]c1C	160069272	HDVASHWHFPYXJJ-AWEZNQCLSA-N	270.332	2.749	70	20	CFID	
CCCC(C)(C)NC(=O)NCCCC(=O)OC(C)C	160097428	NLOULNVFEZPAQN-UHFFFAOYSA-N	272.389	2.596	70	20	CFID	
Cc1ncsc1C(=O)N[C@H]1CCOC2(CCCC2)C1	160187866	IXFVCEDFOWXKSE-NSHDSACASA-N	280.393	2.673	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H](C)CSC)o1	160206211	JBOOUFXCWJJDFM-QROSGCPLSA-N	253.367	2.723	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1cc2cc(F)ccc2[nH]1	160208652	UWPZZFBWCVDCJC-UHFFFAOYSA-N	298.317	2.985	70	20	CFID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(C(C)(C)C)cc1	160326953	YLKPXPJCNONQJN-ZDUSSCGKSA-N	299.436	2.687	70	20	CFID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCCCC1	160382623	FTXIUMHNCOFHQQ-KGLIPLIRSA-N	266.385	2.530	70	20	CFID	
C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC2(C)C)(N(C)C)C1	160413439	DQBQPMLKBNHNMU-WWGRRREGSA-N	266.429	2.659	70	20	CFID	
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(C)C)nc1	160507275	YRRGJBDPCYHPQD-AWEZNQCLSA-N	292.379	2.523	70	20	CFID	
CC(=O)c1ccccc1C(=O)N(C)c1ccc2c(c1)OCO2	160552045	AJTQNTYDARZNAD-UHFFFAOYSA-N	297.310	2.895	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1N[C@@H](CCCO)c1ccccc1	160773846	LDQRCWZABSOUOI-XYVMCAHJSA-N	290.451	2.819	70	20	CFID	
CCN(CC)C(=O)[C@H](NC1CC=CC1)c1ccccc1	160892868	YGUKUVOKNVSOAP-MRXNPFEDSA-N	272.392	2.904	70	20	CFID	
CCc1nnc(NC(=O)c2cncc(OC(C)C)c2)s1	159986742	FHLIMVATMIPQGD-UHFFFAOYSA-N	292.364	2.535	70	20	CFID	
Fc1cc(F)cc(CNCCCOC[C@@H]2CCCO2)c1	159643161	CQOPSIORNICXCY-HNNXBMFYSA-N	285.334	2.640	70	20	CFID	
COc1cc(N[C@@H](C)C2CCN(C)CC2)ccc1F	159960457	QMQHPCXTPRWZKH-NSHDSACASA-N	266.360	2.977	70	20	CFID	
C[C@H](CN1CCCC1=O)NCc1cc(F)cc(Cl)c1	160901866	UNAAEJYTWBYYKD-SNVBAGLBSA-N	284.762	2.580	70	20	CFID	
CCC(N)(CC)CNC(=O)c1cccn1Cc1ccccc1	160471611	IQYMICSPZCLZPH-UHFFFAOYSA-N	299.418	2.784	70	20	CFID	
CCn1ccnc1CN1CC[C@H](c2ccccc2)C1	160875417	GZMKLUBBYYQRAX-HNNXBMFYSA-N	255.365	2.893	70	20	CFID	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)oc1C	460095399	UQYIPEPCPWXUIY-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C(C)(C)C	809280972	CVOPMFXBRCCZBK-VIFPVBQESA-N	287.356	2.966	70	20	CFID	
CC(C)C[C@@H]1CCCCCN1C(=O)[C@H]1CCCNC1	161298830	SKSNOFATZIMHTA-GJZGRUSLSA-N	266.429	2.803	70	20	CFID	
CCN(CCNCc1cccc2[nH]ccc12)C1CC1	218180791	SCRZXTYXKMXSQJ-UHFFFAOYSA-N	257.381	2.742	70	20	CFID	
Cc1ccc(CN[C@H](C)c2cnc(C)nc2C)cn1	161283026	AIWPVUDQZGAZBS-LLVKDONJSA-N	256.353	2.648	70	20	CFID	
Cc1[nH]c2ccc(C(=O)N3CCC(C)(O)CC3)cc2c1C	161291013	XJXOHZWVXZELAW-UHFFFAOYSA-N	286.375	2.772	70	20	CFID	
COCC(=O)NCCc1ccc(-c2ccccc2)cc1	160030425	YVLHSHMFNNWDBY-UHFFFAOYSA-N	269.344	2.659	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2[nH]ncc2c1	160078523	NVOVZBGDFHLBIG-CQSZACIVSA-N	299.374	2.785	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C)s1)CC2	160302985	TWNOGJYLIZFOQH-ZYHUDNBSSA-N	276.409	2.622	70	20	CFID	
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCO1	160352681	XFQXVTZMTNNEEW-VXGBXAGGSA-N	295.329	2.706	70	20	CFID	
Cc1cccc(C(=O)NC[C@H]2CCCN2CC(C)C)c1	160428870	VNRAFHUGVUVRBI-MRXNPFEDSA-N	274.408	2.845	70	20	CFID	
Cc1ccc(NC(=O)NCCCO)cc1OCCC(C)C	160453781	BCVWQHNENDCYFL-UHFFFAOYSA-N	294.395	2.924	70	20	CFID	
CCC[C@H](C)[C@@H](CC)N[C@@H]1CCc2nc(C)nn2C1	160468999	UMEGXYUYRPPMQN-IACUBPJLSA-N	264.417	2.706	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)c1cccc(C)c1	160472589	DIYMXVMGBOHTRF-CHWSQXEVSA-N	277.364	2.556	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)c1ccccc1OC1CCC1	160668882	CHPSBEAIMXFALW-OAHLLOKOSA-N	291.391	2.755	70	20	CFID	
COc1cc(-c2noc(-c3cc(C(C)C)on3)n2)ccn1	160875998	XOQIHWPXLABEMO-UHFFFAOYSA-N	286.291	2.919	70	20	CFID	
CCN(Cc1ccc2c(c1)OCO2)C(=O)C1(C)CC1	159642976	KOLPHBIVGYSAGN-UHFFFAOYSA-N	261.321	2.564	70	20	CFID	
CC(C)(NC(=O)C[C@@H]1CCCN1)c1cccc(Cl)c1	159647823	WWXHCTYOLMKJMJ-ZDUSSCGKSA-N	280.799	2.833	70	20	CFID	
Cc1nc2ccccn2c1CN1CCC[C@@H](n2cccn2)C1	159563308	BYTDXKDZRCUVCO-OAHLLOKOSA-N	295.390	2.676	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1C)CC2	159596794	HZTHAJRQXJHSNO-TZMCWYRMSA-N	270.380	2.561	70	20	CFID	
CCSCC[C@H](C)N[C@@H]1CCOC2(CCOCC2)C1	160159742	OMQNOMDQMZXTAL-UONOGXRCSA-N	287.469	2.836	70	20	CFID	
CN(CC1(O)CCCC1)c1nc2ccc(N)cc2s1	161090689	NQEMUUYHCVAGKL-UHFFFAOYSA-N	277.393	2.620	70	20	CFID	
Cc1cccc2c1N(CCS(=O)(=O)F)CC[C@H]2C	883954604	SXEJFWGKYNQVPQ-SNVBAGLBSA-N	271.357	2.608	70	20	CFID	
O=S(=O)(Cl)[C@H](c1ccccc1)c1ccccn1	88251115	CKROVMMLNOBIGA-GFCCVEGCSA-N	267.737	2.740	70	20	CFID	
CC(C)NC(=O)CN[C@H](C)c1cccc(-c2ccncc2)c1	161005291	QPDRMJXPRVXPSI-CQSZACIVSA-N	297.402	2.924	70	20	CFID	
CC1(C)C[C@H](NC(=O)NCCc2ccccc2F)CCO1	161062665	HTFFGZHBYCXQIL-CYBMUJFWSA-N	294.370	2.625	70	20	CFID	
CCOc1ccc(NC2CCC(NC(C)=O)CC2)cc1	161076807	RMWVDAQYFGQOEP-UHFFFAOYSA-N	276.380	2.945	70	20	CFID	
c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1	161288256	DGQJWNVVLGSEGT-UHFFFAOYSA-N	297.402	2.673	70	20	CFID	
Cn1nccc1CSc1nnc(-c2cccs2)n1C	161315095	IELCEMYWFKTWPF-UHFFFAOYSA-N	291.405	2.569	70	20	CFID	
CCCn1nc(C)c(C(=O)N[C@H](C)c2ccccn2)c1C	161408581	FYEKLNCXLSAAAK-LLVKDONJSA-N	286.379	2.796	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(=O)[nH]c2cc(F)ccc12	161477300	ANNXCXZHZPQZDS-NXEZZACHSA-N	288.322	2.680	70	20	CFID	
COCC(C)(C)c1nc(Cc2ccc(OC)cc2)no1	161487045	VJJMBVTVTPDNMA-UHFFFAOYSA-N	276.336	2.593	70	20	CFID	
Cc1cc(CC(=O)N2CCc3c(Cl)cccc32)n[nH]1	161507708	QZFDGLLBQINZRV-UHFFFAOYSA-N	275.739	2.503	70	20	CFID	
C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2sccc21	160042032	IVMMKRZWUCPAAU-HOSYDEDBSA-N	265.378	2.667	70	20	CFID	
Cc1cc(C)c(C(=O)N(C)CCOc2ccccc2F)[nH]1	160107675	IEMLBOZYHUVSOZ-UHFFFAOYSA-N	290.338	2.922	70	20	CFID	
C[C@@]1(O)CCCN(C(=O)NCCCC2CCCCC2)C1	160389941	LYVJQULHSRLUPJ-MRXNPFEDSA-N	282.428	2.903	70	20	CFID	
CC[C@@H](NC(=O)c1cscn1)c1c(C)noc1C	160252572	NQBBGZLXILZWIQ-SECBINFHSA-N	265.338	2.629	70	20	CFID	
COCCOc1ccc(NC(=O)N[C@@H](C)CC(C)C)cn1	160318007	GZRMQQCFEASCBD-LBPRGKRZSA-N	295.383	2.663	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1	160485122	XQQUXFMAKZRKAJ-NSHDSACASA-N	294.420	2.905	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H](C)Cc1cccc(F)c1	160495798	HDICWCJXEPQIGZ-LBPRGKRZSA-N	280.387	2.638	70	20	CFID	
CCC(=O)c1cccc(NC(=O)[C@@H]2CCc3cn[nH]c3C2)c1	160736799	QSAQKOHKKAGOOE-GFCCVEGCSA-N	297.358	2.746	70	20	CFID	
CNC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1	160972750	QCPRNSRKBOSVJJ-UHFFFAOYSA-N	270.336	2.576	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)CN(C)C	159910270	PCEKZHYZDCRDEM-QWHCGFSZSA-N	294.464	2.864	70	20	CFID	
CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1	159770222	SJWLVQRQELUKBZ-GXTWGEPZSA-N	280.437	2.842	70	20	CFID	
CCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159504654	JIZXNCVGTNDZRO-VHSXEESVSA-N	270.323	2.530	70	20	CFID	
CC1(C)CC[C@H](COC(=O)c2cc(F)ccc2N)O1	160783689	NHKYQDPOWRHVNT-SNVBAGLBSA-N	267.300	2.522	70	20	CFID	
Cc1cc(C(=O)NCC(C)(C)CN(C)C)cc(C)c1F	161141570	WXTGMFNCSRICJZ-UHFFFAOYSA-N	280.387	2.760	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@H]1c1ccsc1	161454919	QXVRLTOQLAMUOU-ZDUSSCGKSA-N	287.450	2.710	70	20	CFID	
CC(C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674432	JLVLCASVOZXIGN-QMMMGPOBSA-N	291.319	2.715	70	20	CFID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCCC12CCC2	1349532301	KSTLXONSASPORQ-UHFFFAOYSA-N	297.351	2.504	70	20	CFID	
COC(=O)c1ccc(Cn2cnc3c2CCCC3)cc1	216827114	LPXUOYJSQNWOQK-UHFFFAOYSA-N	270.332	2.597	70	20	CFID	
CC(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](C)CCO	161046742	FSXMDVRPNASUCD-GOEBONIOSA-N	277.408	2.636	70	20	CFID	
CSCc1ccc(NC(=O)N2CCC[C@@](C)(O)C2)cc1	161049363	RYVFASMVVYDZDI-OAHLLOKOSA-N	294.420	2.928	70	20	CFID	
CCN1CCCC[C@H]1CN[C@@H](C)c1cnc(C)nc1C	161174520	MJFNJYCLNIBFES-WFASDCNBSA-N	276.428	2.618	70	20	CFID	
CCCN(CCO)Cc1cc2cc(OC)ccc2o1	161236388	AFEIZOMAGIWDOR-UHFFFAOYSA-N	263.337	2.646	70	20	CFID	
c1nc2c(c(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)n1)CCCC2	160026819	CUOPEFBBKMOKCB-YUELXQCFSA-N	285.391	2.725	70	20	CFID	
CCC[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160219848	LZGIVPQQZPAWDO-QMMMGPOBSA-N	262.313	2.748	70	20	CFID	
CC(C)N(C)C(=O)[C@@H](C)Sc1nncc2ccccc12	160227259	BBXSEEHTSBLRBW-LLVKDONJSA-N	289.404	2.977	70	20	CFID	
Cc1ccc(CC(=O)NC[C@H]2CCCN2CC(C)C)cc1	160562665	SGSPJSZLCWRYRV-QGZVFWFLSA-N	288.435	2.774	70	20	CFID	
Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160615215	QRPMCSOGPJSJLG-OAGGEKHMSA-N	286.419	2.842	70	20	CFID	
CCN(CC)CCC[C@H](C)NC(=O)C[C@H](C)SC	160645286	UCGWVCLAGCYFRS-STQMWFEESA-N	274.474	2.755	70	20	CFID	
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nncn2C)C2CC2)o1	160782154	RFWFDOZXFCMVDQ-RISCZKNCSA-N	286.379	2.696	70	20	CFID	
COc1cc(CCC(=O)NCC(F)(F)F)ccc1Cl	160804658	QCQBAUWCPIWNLP-UHFFFAOYSA-N	295.688	2.960	70	20	CFID	
O=C(C[C@H]1CCCN1)Nc1cccc(CC(F)(F)F)c1	160804753	FWVPOAYEPCOHOT-LLVKDONJSA-N	286.297	2.872	70	20	CFID	
Cc1ncsc1C(=O)NCCOc1ccccc1Cl	159437478	VDWIUVUDDYAMEZ-UHFFFAOYSA-N	296.779	2.914	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)Cn1nc(C)c(Cl)c1C	159517226	KLUUIHNUXJXJPK-NEPJUHHUSA-N	283.803	2.848	70	20	CFID	
CC(C)(O)[C@@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3	159937446	MLQVJBOMXOBVOP-CGAUPDFVSA-N	291.435	2.821	70	20	CFID	
CC(C)OC1CCC(NC(=O)[C@@H](C)OCC2CC2)CC1	159553653	HQGPKILWKNPJEZ-LRVUVFPRSA-N	283.412	2.654	70	20	CFID	
C[C@@H]1C[C@@H](N)CCN1Cc1cccc2cccnc12	159450850	CAOVVNCVIPSVTL-DOMZBBRYSA-N	255.365	2.546	70	20	CFID	
Cc1ccc(C(=O)CCN(C)C[C@@H]2CCC[C@@H]2O)cc1	161030701	CXTCKACKXZJQKI-HOTGVXAUSA-N	275.392	2.661	70	20	CFID	
C[C@H]1C[C@@H](NC[C@@H](C)COCc2ccccc2)CCN1C	161295897	XNTQTEOTEOZBPC-RYRKJORJSA-N	290.451	2.912	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cc(OC)cc(OC)c1	217377333	QWZRBTFRKCNYFX-ZDUSSCGKSA-N	280.412	2.524	70	20	CFID	
CS[C@H](C)CC(=O)Nc1nnc(C(F)F)s1	161103642	YSPLRZPAKHEWOS-SCSAIBSYSA-N	267.326	2.556	70	20	CFID	
CCSCc1ccc(C(=O)N2CCC[C@@H]2CNC)cc1	161247077	FPVIZFURMLNXTE-OAHLLOKOSA-N	292.448	2.764	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	161396461	AJZYBTMNDDODME-OLZOCXBDSA-N	276.380	2.532	70	20	CFID	
Cc1ccsc1[C@@H](C)NCCN1CCC(N(C)C)CC1	160210492	PJOKRCSXQKCWPF-CQSZACIVSA-N	295.496	2.733	70	20	CFID	
CN(CC(C)(C)CN1CCOCC1)C(=O)CCC(C)(C)C	160257121	KJAMDGLVYMFIMJ-UHFFFAOYSA-N	298.471	2.630	70	20	CFID	
CCc1ncnc(Nc2ccc3c(c2)N(C)CCO3)c1F	160289322	KTIDKJSZTLAAOR-UHFFFAOYSA-N	288.326	2.750	70	20	CFID	
COc1ncc(Cl)c(N[C@H]2CCO[C@H](C3CC3)C2)n1	160390550	SZISNAKTOCBWHE-ONGXEEELSA-N	283.759	2.508	70	20	CFID	
CC[C@H](OC1CCCC1)C(=O)N(C)Cc1cccn1C	160489198	KDLRUDCAJCKZPL-HNNXBMFYSA-N	278.396	2.721	70	20	CFID	
Cc1cc(F)cc(NC(=O)CCC(=O)NC2CCCC2)c1	160588707	GGCBGFMNHXDPCM-UHFFFAOYSA-N	292.354	2.912	70	20	CFID	
CC[C@H](NC(=O)[C@H]1CC[C@H](N)C1)c1cc(F)ccc1F	160657329	LOTDFYVYKMSTRE-CHIMOYNISA-N	282.334	2.660	70	20	CFID	
CN(C(=O)c1cccc(=O)n1C)c1ccc(C(C)(C)C)cc1	160785583	GXMIQLZVDMMMLT-UHFFFAOYSA-N	298.386	2.959	70	20	CFID	
CCn1cc([C@H](C)NCc2ccc(CN(C)C)cc2)cn1	160852171	DARIWUUBTVDLBL-AWEZNQCLSA-N	286.423	2.815	70	20	CFID	
Cc1ccc(CC(=O)N[C@@H]2CCOC3(CCCC3)C2)cn1	159605116	LVMNSBXYQSRRRF-OAHLLOKOSA-N	288.391	2.541	70	20	CFID	
Cc1cc(C)cc([C@@H](C)NCCCN2CCCC2=O)c1	159464668	JCVFKVFXJFHTNC-OAHLLOKOSA-N	274.408	2.967	70	20	CFID	
COc1cc(Cl)c(C)cc1NC(=O)N[C@@]1(C)CCOC1	159476405	YXXMXRORVGKGRQ-AWEZNQCLSA-N	298.770	2.958	70	20	CFID	
CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2O)C12CCC2	159479689	YKTQLOLUWRHJST-HUUCEWRRSA-N	289.375	2.812	70	20	CFID	
Cc1cccc(CS(=O)(=O)CCc2c(C)noc2C)c1	159561973	ABGCIONUOQFNIM-UHFFFAOYSA-N	293.388	2.757	70	20	CFID	
CC1(C)CCC(C(=O)NC2(C(N)=O)CCCCC2)CC1	160301908	RYFWYPQFSNUCJQ-UHFFFAOYSA-N	280.412	2.507	70	20	CFID	
Nc1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1	161064871	GJGDGMNKRBDSEJ-CABCVRRESA-N	258.365	2.967	70	20	CFID	
O=C(NCCc1cccc(Br)c1)N1CCCC1	217484546	CCHYNQJJPHCDCU-UHFFFAOYSA-N	297.196	2.797	70	20	CFID	
CN(C)[C@H]1CCC[C@H](N[C@H]2CC(C)(C)OC2(C)C)C1	161118173	QCJHHRNFJLNVEX-IHRRRGAJSA-N	268.445	2.795	70	20	CFID	
Cc1ccccc1C1(CNC(=O)c2ccc(O)nc2C)CC1	161151955	AJAHYAJGMDNTST-UHFFFAOYSA-N	296.370	2.866	70	20	CFID	
COc1ccc(NC(=O)[C@H](C)c2c(C)noc2C)cc1N	161231918	GLHBEXSQXRZEKV-MRVPVSSYSA-N	289.335	2.624	70	20	CFID	
CC1(O)CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1	161253411	HGTOEMUWGJCITL-UHFFFAOYSA-N	291.435	2.966	70	20	CFID	
Cc1occc1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1	160014835	KYVVEXXEZSUCHG-SWLSCSKDSA-N	287.359	2.873	70	20	CFID	
CN(C(=O)[C@H]1COc2ccccc21)c1ccc2c(c1)OCO2	160168114	OZWZFBNLFJOARN-ZDUSSCGKSA-N	297.310	2.554	70	20	CFID	
CCc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1	160187761	PSOWEYGDVZICPY-UHFFFAOYSA-N	279.405	2.718	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCCCOCC(F)(F)F)C1	160259437	RRSZDNVZBLUCEL-QWRGUYRKSA-N	281.318	2.898	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)c1ccc(CC)cc1	160323088	SZGKEVRBKDLCHX-QWHCGFSZSA-N	291.391	2.810	70	20	CFID	
CN(Cc1cccn1C)C(=O)C(C)(C)c1ccccc1	160362964	WNMDJELGDCCRPY-UHFFFAOYSA-N	270.376	2.961	70	20	CFID	
CC/C(=C/C(=O)N1CCC[C@H]1CN)c1ccc(C)cc1	160399254	NODHRZCALZUFDK-QBOMHBFWSA-N	272.392	2.738	70	20	CFID	
CCc1ccc(CCC(=O)NOCc2cccnc2)cc1	160862091	SFTDERAPAWYYMR-UHFFFAOYSA-N	284.359	2.825	70	20	CFID	
CCC[C@@H](C(=O)Nc1ccc2[nH]nnc2c1)C(C)C	160956535	QXFBNPIUGSHAAK-LLVKDONJSA-N	260.341	2.969	70	20	CFID	
Cc1cncc(N(C)Cc2nccn2Cc2ccccc2)n1	159721704	UMIXNMDUZPOYLX-UHFFFAOYSA-N	293.374	2.666	70	20	CFID	
CC(C)C[C@H](C)OCCC(=O)NCC1(N)CCCCC1	159728550	FQUWWSVVVZPHIN-AWEZNQCLSA-N	284.444	2.606	70	20	CFID	
C[C@H](NC[C@H](C)N1CCc2ccccc21)C1CCOCC1	159939867	QZYWARSMORDAOR-GJZGRUSLSA-N	288.435	2.842	70	20	CFID	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCC1(C2CC2)CC1	159942962	TZWRQURTHIKKET-NSHDSACASA-N	289.423	2.522	70	20	CFID	
Cc1cccc2c(CCNC(=O)CCNC(C)C)c[nH]c12	159559730	DFZXFBJZTJXVDQ-UHFFFAOYSA-N	287.407	2.523	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CCCNC(=O)OC(C)(C)C	159784920	VEOQVKGKHJWMJK-CHWSQXEVSA-N	298.427	2.986	70	20	CFID	
CC[C@@H](NC1CC(C)(C)NC(C)(C)C1)[C@H]1CCOC1	159628470	WPAFVXQJDXBCMT-GXTWGEPZSA-N	268.445	2.700	70	20	CFID	
Cc1ccc(OCCCN2CCC(C)(O)CC2)cc1C	161207275	VFUWDPIMNBUXLC-UHFFFAOYSA-N	277.408	2.919	70	20	CFID	
COc1cccc([C@@H]2CCCN2CCCCCO)c1	160959032	PQAVPTZPYQVYQN-INIZCTEOSA-N	263.381	2.995	70	20	CFID	
C[C@H](NC(=O)[C@@H]1CCCNC1)c1ccc(F)cc1Cl	161152377	HWBOWIXSEYYDKB-VHSXEESVSA-N	284.762	2.656	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1Cc1ccc(CC)o1	161259054	AZIUEVOQDRUDLS-CQSZACIVSA-N	265.353	2.760	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)C[C@@H](C)NC(=O)C1CCCCC1	161487617	CCUHAAGEMIXEMK-MCIONIFRSA-N	294.439	2.861	70	20	CFID	
FC(F)CN(Cc1cnc2ccccn12)C1CC1	160215287	UTVMSXYSVRZIAD-UHFFFAOYSA-N	251.280	2.564	70	20	CFID	
CC1(C)C[C@@H](Nc2cc(N3CCCCC3)ncn2)CCO1	160646559	WHNAVKGYJCNQTA-ZDUSSCGKSA-N	290.411	2.836	70	20	CFID	
CCCCSCCC(=O)Nc1c[nH]c(=O)c(C)c1	159812238	XDPSJVGXTJMVKY-UHFFFAOYSA-N	268.382	2.545	70	20	CFID	
CN(Cc1ccccn1)C(=O)CCc1ccc(F)cc1F	159503332	GRPQBDJKWLTFLR-UHFFFAOYSA-N	290.313	2.951	70	20	CFID	
CCN1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1	159547457	RBDAQUDCXRGREH-AWEZNQCLSA-N	297.402	2.615	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ncn(-c2ccccc2)n1	159749062	DJKCEOZDFFKCPG-OCCSQVGLSA-N	284.363	2.576	70	20	CFID	
NC[C@@H]1CCCN1C(=O)CSCc1ccc(Cl)cc1	160273362	CAUAUSSINMPTJZ-ZDUSSCGKSA-N	298.839	2.523	70	20	CFID	
C[C@H]1C[C@H](NCCOc2cccc(Cl)c2)CCN1C	160251087	IDSVQEDFPVHUIS-GXTWGEPZSA-N	282.815	2.791	70	20	CFID	
CCC1(C(=O)NCC2(N)CCCCC2)CCCC1	159646696	JYZAGRNFNCOQFG-UHFFFAOYSA-N	252.402	2.735	70	20	CFID	
CC[C@@]1(C)CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1	864242375	CYNHVFTZXOYSKN-AWEZNQCLSA-N	299.367	2.607	70	20	CFID	
CC[C@@H](C)N(C)CCNC(=O)c1cc(Cl)ccc1O	217405397	XZJZSHLUNYYUPC-SNVBAGLBSA-N	284.787	2.506	70	20	CFID	
CNC[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccc(C)cc1	161305400	JXGRJSGMOBKKCS-ZIAGYGMSSA-N	292.448	2.686	70	20	CFID	
CCc1ccc(/C=C/C(=O)NC2(C)CCOCC2)o1	161347722	FOVKLSCCTGKQND-VOTSOKGWSA-N	263.337	2.541	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N(C)CC(C)(C)O	161466514	NDBBYZWROZBJOG-GFCCVEGCSA-N	258.406	2.615	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCCCOC(C)C)o1	160013399	LDWFDBGLPYMVEY-CMDGGOBGSA-N	265.353	2.787	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCC(=O)OC(C)C	160078932	MIRZQPFQDVLFCI-NWDGAFQWSA-N	295.404	2.618	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1C[C@@H](C)CCC[C@H]1C	160081259	NAPZUFHWWIGNGW-UONOGXRCSA-N	298.427	2.938	70	20	CFID	
CCCC1(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1	160490800	TXUNSGLANCDBNQ-ZIAGYGMSSA-N	283.412	2.657	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H]1CCCc3sccc31)CC2	160493354	PUEWRNHZNFWYFO-YPMHNXCESA-N	288.420	2.630	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N(C)Cc2cccn2C)on1	160495799	PFYYHQCWLCTRAW-NSHDSACASA-N	275.352	2.799	70	20	CFID	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[C@@H]2CCCN2)C1	159435249	AGULVHPCAAFIAS-UHOFOFEASA-N	290.382	2.877	70	20	CFID	
CC[C@H](COC)NC[C@@H](C)N1CCc2sccc2C1	159878427	KMXBVUXRINMWAI-TZMCWYRMSA-N	282.453	2.509	70	20	CFID	
c1ccc(C[C@H]2CCCN2CCn2ccnc2)cc1	159708716	RBBSJSMRGUEZOP-MRXNPFEDSA-N	255.365	2.590	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)Cn1nc(C)c(Cl)c1C	159517346	KLUUIHNUXJXJPK-RYUDHWBXSA-N	283.803	2.848	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](COC)C(C)C)c1C	159940326	SPMNDALPGVAZBD-CQSZACIVSA-N	296.415	2.784	70	20	CFID	
CC(C)(C)CCC(=O)N1CCC[C@H](N2CCCC2)C1	159394089	SRIBHVFBKUMETP-AWEZNQCLSA-N	266.429	2.900	70	20	CFID	
CCc1noc(CN2CCC[C@H]2c2cccc(C)n2)n1	160123151	MMWCGPNTWZQKBJ-ZDUSSCGKSA-N	272.352	2.673	70	20	CFID	
Cc1ccc(NC(=O)[C@H]2CC23CCC3)cc1S(=O)(=O)F	857675112	BMUWZPGQTPRYAA-LLVKDONJSA-N	297.351	2.782	70	20	CFID	
CCOCCC1(CNC(=O)[C@@H]2CC23CCOCC3)CCC1	161034061	LJJGNFZFUNBVIF-AWEZNQCLSA-N	295.423	2.516	70	20	CFID	
CCCC[C@H](COC)N[C@H](CCO)c1ccccc1	161046331	JEVNINMDNOVJNF-HZPDHXFCSA-N	265.397	2.905	70	20	CFID	
CCc1ncc(NC(=O)N[C@@H](CC)c2ccncc2)cn1	161205369	SCGWHUIBJROYFZ-ZDUSSCGKSA-N	285.351	2.707	70	20	CFID	
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[C@H](C)N)cc1	161234193	AURGJYPCEQUJAM-KCQAQPDRSA-N	260.381	2.642	70	20	CFID	
CC(=O)NC1CCC(NCCC2=CCCCC2)CC1	161242487	DUHNTXKBCRUORE-UHFFFAOYSA-N	264.413	2.914	70	20	CFID	
C[C@H](C1CC1)N(C)C(=O)Nc1cccc(-c2ncn(C)n2)c1	161485024	MLJDADWYCZQRPL-LLVKDONJSA-N	299.378	2.744	70	20	CFID	
Cc1nnc(-c2cccc(C(=O)N(C)c3ccccn3)c2)o1	160108314	WDTHLNSIJOWYFM-UHFFFAOYSA-N	294.314	2.717	70	20	CFID	
C[C@@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H]1C	160605827	UGUNCEHINHKTGN-RKDXNWHRSA-N	290.289	2.708	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)c1cc2cc(Cl)ccc2[nH]1	160757725	KHMGNABXUFRBMH-LBPRGKRZSA-N	294.782	2.958	70	20	CFID	
C[C@@H](N[C@H](CCO)c1ccccc1)c1cncs1	160997828	VIXXPPOEZUYDGL-DGCLKSJQSA-N	262.378	2.917	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C(C)C)nn1C	159831361	APZAACWVMPNMMF-RYUDHWBXSA-N	263.385	2.852	70	20	CFID	
CN(C)[C@H](CNC(=O)C1=CCCC1)c1cccc(F)c1	159641732	JKBKNKFSHQGVEB-OAHLLOKOSA-N	276.355	2.655	70	20	CFID	
CC(C)n1ncc(C(=O)NCC(=O)C(C)(C)C)c1C1CC1	159508411	LHCSAJJUKYALGT-UHFFFAOYSA-N	291.395	2.686	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(F)c(C)c1	159599767	DSWIHYMMLXZDAE-ZIAGYGMSSA-N	280.343	2.501	70	20	CFID	
CCOC(=O)c1sc(N(C)C2CCC2)nc1C	159944986	CSGGXDAZTYZLJX-UHFFFAOYSA-N	254.355	2.617	70	20	CFID	
CCCCN(C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1	160758400	UCUOUQZMFDNOCQ-LSDHHAIUSA-N	285.453	2.632	70	20	CFID	
CC[C@@H](C)OCCCCCCS(=O)(=O)Cl	112155523	OVJWWFCFUGKWFB-SNVBAGLBSA-N	256.795	2.931	70	20	CFID	
CNC(=O)c1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccn1	217725770	QGGLPTNJLSYQOL-NTZNESFSSA-N	261.369	2.678	70	20	CFID	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1ccnc(F)c1F	218391767	JRPFSRNZUYFFNJ-WCABBAIRSA-N	268.307	2.914	70	20	CFID	
C[C@H](CCO)CNC(=O)CCc1ccc2ccccc2c1	161015334	KCJLEIWBSWGTCO-CQSZACIVSA-N	285.387	2.907	70	20	CFID	
CCC[C@](C)(NC(=O)c1cc(F)c(C)cc1F)C(=O)OC	161019044	BZEMFWICXUYIAQ-HNNXBMFYSA-N	299.317	2.735	70	20	CFID	
C[C@@H](CC(=O)N(C)C[C@@H]1CCOC1)c1ccc(F)cc1F	161394327	GMWWCGDKAPPLSS-RYUDHWBXSA-N	297.345	2.953	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CC(F)(F)F	160000742	KESQEHJNASOQLR-JTQLQIEISA-N	273.254	2.751	70	20	CFID	
NCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	160016618	ZIKLCCZRQCBYAQ-WDEREUQCSA-N	287.190	2.562	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)C(C)(C)c1ccccc1)CC2	160321784	KESIIMOMAVDQKX-CZUORRHYSA-N	298.434	2.857	70	20	CFID	
O=C(NC[C@@H]1CC=CCC1)c1ccnc(OCC(F)F)c1	160702391	ORJYYNSZZZMTQM-LLVKDONJSA-N	296.317	2.812	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NC1(c2noc(C)n2)CCCC1	160729488	RUQTVGHJHCUQRU-RISCZKNCSA-N	277.368	2.700	70	20	CFID	
CCCN1CCC(N[C@H](CCO)c2ccccc2)CC1	160927654	UJWSQZBKZPAZDE-QGZVFWFLSA-N	276.424	2.574	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1noc2c1CCCC2	159803354	NXOIGNNJBSCVAC-PWSUYJOCSA-N	262.353	2.862	70	20	CFID	
COc1csc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	159657129	ABTMRSQLLGAJRE-LLVKDONJSA-N	295.404	2.978	70	20	CFID	
CCN1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1	159547336	RBDAQUDCXRGREH-CQSZACIVSA-N	297.402	2.615	70	20	CFID	
CCCCn1ncc(NC(=O)NCc2nccs2)c1C	159983420	DZSMIMIXGVRXHY-UHFFFAOYSA-N	293.396	2.770	70	20	CFID	
CN(C)c1ccc(NC(=O)NCCOc2ccccc2)cc1	217303639	JSUIIYRCRIYYSU-UHFFFAOYSA-N	299.374	2.953	70	20	CFID	
CC1(C)C(CNC(=O)NCC(F)(F)F)C1(C)C	160671102	KCAJRKQWORULMQ-UHFFFAOYSA-N	252.280	2.530	70	20	CFID	
COCCC(=O)Nc1cc(F)c(Br)cc1F	160944883	IZOWFQMNWIAZOD-UHFFFAOYSA-N	294.095	2.702	70	20	CFID	
Cc1cccc(C(=O)NOCc2ccccc2)c1F	161418014	SSUNAFSHMDYHEC-UHFFFAOYSA-N	259.280	2.996	70	20	CFID	
CC(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	784161074	ZEVPDBWWXFLWPH-UHFFFAOYSA-N	287.356	2.966	70	20	CFID	
CC(C)CNCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	218100006	QBNIPFQCYLEDRD-ZDUSSCGKSA-N	270.417	2.879	70	20	CFID	
CC[C@@H](CC(=O)O)c1ccc(S(=O)(=O)Cl)cc1	100646558	DOINWVNEDSCTLP-QMMMGPOBSA-N	276.741	2.582	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2ccccc2OC2CCC2)C1	161012506	GBKYYHARQYGWKC-QWHCGFSZSA-N	288.391	2.618	70	20	CFID	
Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@@H](N)C2)s1	161226179	UOCIVSPLMZBSPM-CHWSQXEVSA-N	280.437	2.765	70	20	CFID	
Cc1ccc([C@@H](CNC(=O)NC2(C)CCC2)N(C)C)cc1	160213079	TYIOSIPSNUIXGI-OAHLLOKOSA-N	289.423	2.840	70	20	CFID	
CC(C)CN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CC1	160459513	YLAOCAXMUXQUGV-ZFWWWQNUSA-N	280.412	2.774	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc(Cl)n1	160580790	JSPMWDUOKIMJJX-QWHCGFSZSA-N	294.782	2.731	70	20	CFID	
O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)c1cc(F)ccc1O	160614019	HSWYAUPIOJIWSC-FVQBIDKESA-N	283.302	2.599	70	20	CFID	
CC[C@@H](C)N(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160709397	UAQZKKNSBXVDDT-LLVKDONJSA-N	287.367	2.744	70	20	CFID	
CC[C@H](NC(=O)[C@@H]1CC[C@H](N)C1)C(C)(C)c1ccccc1	160760867	SMWVATUGSWCXSS-KBMXLJTQSA-N	288.435	2.986	70	20	CFID	
CC[C@H](NCC1(N2CCCCC2)CCCCC1)C(=O)OC	159478075	HNSCMTXHEXTQIW-HNNXBMFYSA-N	296.455	2.716	70	20	CFID	
C[C@H](Cc1ccc(O)cc1)NC(=O)NC1(C)CCC1	159916539	CVDAOPFCDVOBHO-LLVKDONJSA-N	262.353	2.565	70	20	CFID	
CS[C@H](C)CC(=O)NCc1ccc(OC(C)C)nc1	159726506	UGNRVUQLDCSPDG-LLVKDONJSA-N	282.409	2.627	70	20	CFID	
CC1(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CCC1	159779953	IEEDUWFJIIEYDW-GFCCVEGCSA-N	251.370	2.785	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1c[nH]c(=O)c(C)c1	159393659	UMUDHUXPFRDVOZ-VXGBXAGGSA-N	288.372	2.795	70	20	CFID	
CC(C)N(C)CCNC(=O)C1CCC(C)(C)CC1	159781897	YXFJNHZJYFPDIQ-UHFFFAOYSA-N	254.418	2.659	70	20	CFID	
O=C(NCC1(O)CCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	159977510	MEDAKYKRGUIIMR-BFHYXJOUSA-N	265.397	2.624	70	20	CFID	
NCc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)o1	161484057	FFAUVTGFYWZWEL-UHFFFAOYSA-N	294.301	2.646	70	20	CFID	
CC(C)N(C(=O)CN(C)OCc1ccccc1)C(C)C	159608442	LZPXQXQBKQVLCE-UHFFFAOYSA-N	278.396	2.695	70	20	CFID	
CC1(C)CCC(CC(=O)N[C@H]2CCCC[C@H]2C(N)=O)CC1	161277129	NRQLHKWAKWHDSZ-KGLIPLIRSA-N	294.439	2.753	70	20	CFID	
Cc1cc([C@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c(C)s1	160331694	QBPDCSPZMGDCON-XHDPSFHLSA-N	296.436	2.982	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N1CCc2c(C)cccc21	160381943	DQRZLYPGAKIOBK-LLVKDONJSA-N	267.394	2.733	70	20	CFID	
CCc1nn(C)c(CC)c1CNc1cccc(C)n1	160477191	NCNJDXJCAIQKTJ-UHFFFAOYSA-N	258.369	2.860	70	20	CFID	
C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccccn1	159391471	QOBWZCSANSFBAD-BBRMVZONSA-N	281.359	2.538	70	20	CFID	
Cc1nc(C)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1	159475084	MUELZHQHAIWSOM-BNOWGMLFSA-N	278.421	2.807	70	20	CFID	
CCC(C)(CC)C(=O)N1CCS[C@@H]2COCC[C@H]21	159490872	IOYORBIIXNKKEQ-VXGBXAGGSA-N	271.426	2.546	70	20	CFID	
CC[C@H]1CCCN1C[C@@H](O)c1cc(OC)ccc1OC	216865821	MACGGJQYNBLPBT-SWLSCSKDSA-N	279.380	2.612	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cnc(N(CC)CC)s1	217397590	WQBYOBQEEHTLKW-CYBMUJFWSA-N	298.500	2.809	70	20	CFID	
C[C@H](NC(=O)NO[C@@H]1CCCCO1)c1ccccc1	161120656	HRCNDAUCCUYCDO-WCQYABFASA-N	264.325	2.505	70	20	CFID	
Cn1cnc(-c2ccc(NC(=O)N[C@H]3C=CCCC3)cc2)n1	161201082	QZOTXQZJNVPPAH-ZDUSSCGKSA-N	297.362	2.712	70	20	CFID	
CN(C(=O)CC[C@@H]1CCCCO1)c1ccc2c(c1)OCO2	160087424	FLTLRCCLLBUZLR-ZDUSSCGKSA-N	291.347	2.727	70	20	CFID	
C[C@H]1C[C@@H](NCCOc2cccc(Cl)c2)CCN1C	160251346	IDSVQEDFPVHUIS-JSGCOSHPSA-N	282.815	2.791	70	20	CFID	
CC1(C)C[C@H](NCc2cccc3c2OCCCO3)CCO1	160540563	FRJBPQQLNYXUSG-CQSZACIVSA-N	291.391	2.895	70	20	CFID	
C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CSCN1	160913407	FWWGWSUTEURFMA-AAEUAGOBSA-N	270.442	2.514	70	20	CFID	
COc1ccc(C(C)(C)C(=O)N[C@H](C)[C@@H]2CCOC2)cc1	160961105	ORNBVTDSBRQZFX-CHWSQXEVSA-N	291.391	2.514	70	20	CFID	
Cc1cc(C)cc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c1	159672298	NFTCTNSIXNKPDH-ZDUSSCGKSA-N	286.379	2.784	70	20	CFID	
O=C(CCc1cncc(F)c1)Nc1ncccc1Cl	159672518	KUXVTXCJLQPDCE-UHFFFAOYSA-N	279.702	2.840	70	20	CFID	
CN(CC1CCOCC1)C(=O)N[C@H]1CCCC1(C)C	159685978	HHEZTNNXLFLVHU-ZDUSSCGKSA-N	268.401	2.633	70	20	CFID	
CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1sccc1C	159907956	IULSHZLAZQHTBV-MELADBBJSA-N	292.448	2.761	70	20	CFID	
C[C@H]1CCCN(C(C)(C)CNC(=O)NC2(C)CCC2)C1	159910974	KRBRPYAQJIFZLE-ZDUSSCGKSA-N	281.444	2.739	70	20	CFID	
CO[C@]1(CN[C@H](c2ccccc2)C(F)(F)F)CCOC1	160280230	MFXUHJJZNVFKJW-OLZOCXBDSA-N	289.297	2.685	70	20	CFID	
C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1120866612	SUQLERZUJAITCW-QWRGUYRKSA-N	299.367	2.748	70	20	CFID	
O=S(=O)(Cl)c1ccccc1N=S1(=O)CCCC1	536957390	JHOUTHOHBDPNRP-UHFFFAOYSA-N	293.797	2.507	70	20	CFID	
CCCC[C@@H](COC)NC[C@@H]1CCCCN1CC	161191336	OQSMVPSYARJZIQ-GJZGRUSLSA-N	256.434	2.656	70	20	CFID	
CC(C)CC1(C(=O)N[C@@H]2CCC[C@@H](N)C2)CCC1	161248911	RQADTXRZNWEWAZ-CHWSQXEVSA-N	252.402	2.589	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1Cc1cnn(C(C)(C)C)c1	161283093	ILFYCEIHFCNBRC-AWEZNQCLSA-N	293.411	2.556	70	20	CFID	
COc1ccc(OC)c(CCN[C@@H](C)C2CCOCC2)c1	161440195	JAWRONASXUWSSM-ZDUSSCGKSA-N	293.407	2.651	70	20	CFID	
CN(CCCC(=O)c1ccc(F)cc1)[C@@H]1CCOC1	160035395	VWNDWAKHYXXMEV-CQSZACIVSA-N	265.328	2.509	70	20	CFID	
CCN(CC)[C@@H](C)CNC(=O)[C@H](C)c1ccsc1	160071630	AAGQRIGMRPXMLM-NWDGAFQWSA-N	268.426	2.698	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](C)[C@H]1C	160137343	ONYFCCYXLCASCZ-QWHCGFSZSA-N	284.400	2.548	70	20	CFID	
CC[C@H](CN[C@H]1CCN(C)C[C@@H]1C)Oc1ccccc1F	160316747	JEUCTSQHQOCOCB-LZWOXQAQSA-N	294.414	2.913	70	20	CFID	
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)Cc1cccnc1	160484049	OIWMJURFOKAUKU-SQWLQELKSA-N	289.423	2.597	70	20	CFID	
CCc1ccc(CC(=O)N[C@@H]2COc3ccccc3C2)cc1	160515262	COPZBWQBRYLHIH-KRWDZBQOSA-N	295.382	2.911	70	20	CFID	
CCCCN(CCOC)C(=O)C[C@H](C)c1ccncc1	160526442	DMTJBAJXBIJFDQ-AWEZNQCLSA-N	278.396	2.850	70	20	CFID	
CCOC(=O)C1(C(=O)NCC2CCC(C)CC2)CCC1	160787450	NGZMEODCUBHWPI-UHFFFAOYSA-N	281.396	2.662	70	20	CFID	
CSCC[C@H](C)N(C)c1ccc(C(C)=O)cn1	160816624	BUCAJQDUSXOWDI-JTQLQIEISA-N	252.383	2.862	70	20	CFID	
COC[C@H](NC[C@@H](C)N1CCc2ccccc2C1)C(C)C	159826905	HNEVJNZEQUGBEJ-QAPCUYQASA-N	290.451	2.694	70	20	CFID	
CCCCN(CCO)C(=O)Nc1cnn(CCCC)c1C	159638876	AURCUGKWQXNGHH-UHFFFAOYSA-N	296.415	2.618	70	20	CFID	
CSC[C@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1	159759643	FFTOQXYYKZULQW-RYUDHWBXSA-N	271.426	2.594	70	20	CFID	
O=C(CC[C@@H]1CCCCO1)NCC1(C2CC2)CC1	159792846	JBHIDZAESNKSDT-ZDUSSCGKSA-N	251.370	2.642	70	20	CFID	
Cc1ccc(C)c(OCCCN(C)[C@H](CN)C2CC2)c1	159989525	CVNZKIXWSUEQID-MRXNPFEDSA-N	276.424	2.741	70	20	CFID	
CCN(CCCO)C(=O)c1csc2c1CC[C@@H](C)C2	160528050	MRXCTNIKMGAODC-LLVKDONJSA-N	281.421	2.717	70	20	CFID	
Cn1cnnc1CSc1ccccc1Br	161007150	BKMMTELIYTVXCH-UHFFFAOYSA-N	284.182	2.870	70	20	CFID	
CCOCCC1(CNC(=O)c2ccncc2F)CCC1	161434831	VJBQKQOHFHXGFX-UHFFFAOYSA-N	280.343	2.547	70	20	CFID	
Cc1ccc(CN(C(=O)C[C@H]2CCCN2)C2CC2)cc1C	160550184	ZCLAQCDPNZEIJV-MRXNPFEDSA-N	286.419	2.937	70	20	CFID	
CC(C)CSCCCNC(=O)C1[C@H]2CCC[C@H]12	160679881	YTRJMMAELWLUIV-RYUDHWBXSA-N	255.427	2.928	70	20	CFID	
CCCNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160836485	OSOFAJPGXRAHRH-UHFFFAOYSA-N	275.352	2.517	70	20	CFID	
COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)Cc1cccn1C	160895288	ZBEQSHADCFJBGT-JKSUJKDBSA-N	298.386	2.796	70	20	CFID	
Cc1c(/C=C/C(=O)NCC2CCC(C)CC2)cnn1C	160942504	WVSXZNGWAKBJJT-CMDGGOBGSA-N	275.396	2.684	70	20	CFID	
CCc1ccc(CC(=O)N(C)Cc2ccncc2)cc1	159514757	FYXACNFLBZFTME-UHFFFAOYSA-N	268.360	2.845	70	20	CFID	
CC1(C)C[C@H]1C(=O)Nc1ccccc1CN1CCOCC1	159764477	VHZZCOWEGXJXME-AWEZNQCLSA-N	288.391	2.503	70	20	CFID	
Cn1ccnc1-c1cccc(NC(=O)NC2CC=CC2)c1	159985869	POUXKVGIBQRNKG-UHFFFAOYSA-N	282.347	2.927	70	20	CFID	
CC(C)OCCCSc1nnc(-c2ccccn2)n1C	159593491	AENUQERCYOSHIO-UHFFFAOYSA-N	292.408	2.784	70	20	CFID	
CN(C(=O)Cc1cccc2ccccc12)[C@H](CN)C1CC1	159797978	YMGBEKVOXZEMFZ-QGZVFWFLSA-N	282.387	2.578	70	20	CFID	
CCN(CCCO)C(=O)c1ccc2ccccc2c1	160440281	ZTHAIVHECQKDIO-UHFFFAOYSA-N	257.333	2.684	70	20	CFID	
CC[C@H](O)CN(Cc1ccccc1)c1cc(C)ncn1	161020099	WUBKLALZOPWERB-HNNXBMFYSA-N	271.364	2.563	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1F	161465108	HJZDQLYWMFLYJC-KBPBESRZSA-N	277.339	2.918	70	20	CFID	
O=C(Nc1ccsc1)c1cccc(S(=O)(=O)F)c1	1336949094	ILEGYYSHOLTYFP-UHFFFAOYSA-N	285.321	2.659	70	20	CFID	
CC(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)CCO	161046978	FSXMDVRPNASUCD-GDBMZVCRSA-N	277.408	2.636	70	20	CFID	
CC1(O)CCN(C(=O)Cc2cccc3ccccc23)CC1	161252089	ZGDLZZJLRFFBSH-UHFFFAOYSA-N	283.371	2.756	70	20	CFID	
Cc1cccc(C)c1CSCC(=O)NC1CCOCC1	161384828	LRISTTQSJKRYFB-UHFFFAOYSA-N	293.432	2.832	70	20	CFID	
CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCCO1	160049609	AWAPSYUGZLPXHW-JTQLQIEISA-N	273.785	2.929	70	20	CFID	
O=C(c1cccc(NCC2CCOCC2)c1)N1CCCC1	160058235	YPUHUKKSAGOWER-UHFFFAOYSA-N	288.391	2.761	70	20	CFID	
O=C(C[C@@H]1CCCN1)N[C@H]1CCC[C@@H]1Cc1ccccc1	159449851	ILTUJCQBTGRQRL-IKGGRYGDSA-N	286.419	2.656	70	20	CFID	
CCCC[C@@H](Nc1ncccn1)C(=O)OC(C)(C)C	159979156	XOWJJFVOFMAKBI-LLVKDONJSA-N	265.357	2.789	70	20	CFID	
Cc1ccc(OCCCNC(=O)NCc2ccccn2)cc1	217297841	ODTNEEKQGVENGI-UHFFFAOYSA-N	299.374	2.658	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)c1ccncc1	160129838	NWVZAYKQPCQYGV-LBPRGKRZSA-N	258.346	2.951	70	20	CFID	
CCc1ncnc(NC[C@@H]2Cc3ccccc32)c1F	217982963	PFRKTZVUYQLZLS-NSHDSACASA-N	257.312	2.930	70	20	CFID	
CCCCCCOCCCCS(=O)(=O)Cl	114257951	QCJNMKSYMVALCW-UHFFFAOYSA-N	256.795	2.932	70	20	CFID	
CC(C)COCC[C@H](C)CCS(=O)(=O)Cl	115235148	LOXMAMRUHMGMCJ-JTQLQIEISA-N	256.795	2.644	70	20	CFID	
Cc1cc(CNC(=O)N[C@H]2CCOC(C)(C)C2)ccc1F	161160035	QEJUUJOGUHYIEK-ZDUSSCGKSA-N	294.370	2.891	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)c2ccccc2C)ncn1	161242491	OTEQTBZSYTWMHD-GFCCVEGCSA-N	255.321	2.584	70	20	CFID	
CNC[C@H]1CCCN1C(=O)/C=C/c1ccccc1Cl	161248919	CWYVJVMAYBGNNA-MMQHEFTJSA-N	278.783	2.564	70	20	CFID	
Cc1ccccc1[C@@H](C)NC(=O)N[C@H]1CC[C@@H](CO)CC1	161353164	NUGZRKKPQHVPBX-RBSFLKMASA-N	290.407	2.906	70	20	CFID	
CN1CC[C@H]2[C@H](CCCN2c2nc(C(C)(C)C)ns2)C1	160022847	RBBFRPDLTRZEKN-NEPJUHHUSA-N	294.468	2.756	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCCC(C)(C)CC1	160064844	QFKRZMGRSBHRQE-UHFFFAOYSA-N	298.427	2.940	70	20	CFID	
Cc1cc(F)ccc1NC(=O)N[C@H]1CC[C@H](O)CC1	160125569	UAEPELSIVCVEIF-TXEJJXNPSA-N	266.316	2.559	70	20	CFID	
Cc1nc(NC(=O)c2oc(C)nc2C)cc(C2CC2)n1	160327296	PTJQRQQOZSXDOV-UHFFFAOYSA-N	272.308	2.520	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@H]1NCC(C)(C)O	160592510	SXPPBVZYOYCXSP-YGRLFVJLSA-N	251.345	2.810	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@H]1CCN(C2CCCC2)C1	160807732	HXCUAMYZISXFQY-HNNXBMFYSA-N	293.455	2.835	70	20	CFID	
Cc1ccc(F)c(OCC(=O)OC[C@H]2CCCCO2)c1	159447687	IIXYGKYYWUVDMS-GFCCVEGCSA-N	282.311	2.625	70	20	CFID	
CS[C@@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F	159964539	UHNHBFSUOZZACK-CBAPKCEASA-N	279.283	2.980	70	20	CFID	
CCOCCC1(CNC(=O)CC[C@@H]2CCOC2)CCC1	159785098	JEENPBZKCPBCLI-CQSZACIVSA-N	283.412	2.516	70	20	CFID	
CC(C)(O)Cc1nc(-c2ccc(Br)cc2)no1	217907078	DPVRSBFXEDEKOS-UHFFFAOYSA-N	297.152	2.813	70	20	CFID	
Cc1ccc(C(=O)N[C@H](C)C2CC2)c(Br)n1	159704361	QDQSUEOGGLPFTF-MRVPVSSYSA-N	283.169	2.681	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2ccccc2OC2CCC2)C1	161012620	GBKYYHARQYGWKC-STQMWFEESA-N	288.391	2.618	70	20	CFID	
Cc1cc(C(=O)Nc2cccc3ncccc23)ncn1	161211939	FNVQDTLFEOYKAM-UHFFFAOYSA-N	264.288	2.586	70	20	CFID	
CCOc1cccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)c1	161303655	AAFQNIFSONSXQF-OCCSQVGLSA-N	292.379	2.853	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCCC[C@H]1C(C)C	160104997	RPWRFTGYWWZVHZ-AWEZNQCLSA-N	298.427	2.938	70	20	CFID	
CCCC1(CNC(=O)Nc2ccc(C(N)=O)c(C)c2)CC1	160128851	HMKSYFIEDOGZQU-UHFFFAOYSA-N	289.379	2.796	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(C(C)C)cc1	160143590	MIJPUFYSAYLGQN-LBPRGKRZSA-N	277.364	2.882	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCCCOCC(F)(F)F)C1	160259567	RRSZDNVZBLUCEL-GHMZBOCLSA-N	281.318	2.898	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCSc1ccccn1	160667954	KNGGQZORCGAHQB-UHFFFAOYSA-N	289.404	2.561	70	20	CFID	
Cc1cc(F)ccc1C(=O)NC[C@]1(O)CCc2ccccc21	159435478	LIXYEDFXLKGXJT-GOSISDBHSA-N	299.345	2.698	70	20	CFID	
COc1ccc(C(=O)NCC2(C3CC3)CC2)cc1OC	159846311	ULIDICBEXMIHJW-UHFFFAOYSA-N	275.348	2.624	70	20	CFID	
C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cnnn1C	159671758	RENPIQBNCDAOCT-ZDUSSCGKSA-N	270.380	2.616	70	20	CFID	
CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1	159543242	JCBQSAIEOBNGEO-OKZBNKHCSA-N	292.382	2.821	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@@H](CC(N)=O)C1	159950751	UGHBKGXTDUGHJA-KBPBESRZSA-N	294.439	2.707	70	20	CFID	
Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)s1	160197545	HHLIIWSJYHEZCO-SNVBAGLBSA-N	297.401	2.802	70	20	CFID	
CCN[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CC	160124728	UMXDXRKUFFAIFP-DZGCQCFKSA-N	260.381	2.537	70	20	CFID	
COc1cc(NC(=O)c2cc(N)nc(Cl)c2)ccc1F	160527866	CYUBGACLUQAVQD-UHFFFAOYSA-N	295.701	2.717	70	20	CFID	
C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccncc1	160987664	XMDLKPYBIMJYKJ-CFVMTHIKSA-N	278.421	2.787	70	20	CFID	
CCCN(CCO)Cc1cnc(C(C)(C)C)s1	161224189	JYGLDRLOMHEVKB-UHFFFAOYSA-N	256.415	2.645	70	20	CFID	
C[C@@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1O	159457446	IBRCHKJDDUDXDG-RNCFNFMXSA-N	257.736	2.682	70	20	CFID	
CC[C@@H](COC)NC[C@@H](C)N(C)Cc1ccccc1	160888411	VZXPQFBCBRZYTF-ZBFHGGJFSA-N	264.413	2.522	70	20	CFID	
O=S(=O)(F)CCN1CCCc2cc(F)cc(Cl)c21	883954465	OJHXGCMUHYPZBQ-UHFFFAOYSA-N	295.738	2.531	70	20	CFID	
CCCNC(=O)NCCc1cccc(Br)c1	217471212	ATYDUQLPTXJCGL-UHFFFAOYSA-N	285.185	2.701	70	20	CFID	
CC(C)OC(=O)c1ccn(CC2CCCCC2)c(=O)c1	161049178	HMJZXWBHTJCNED-UHFFFAOYSA-N	277.364	2.994	70	20	CFID	
CC[C@@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1	161085821	CJXGPJCCYYYRKD-GFCCVEGCSA-N	299.378	2.746	70	20	CFID	
O=C(NCC1(c2ccccc2)CC1)c1cccc(F)n1	161207788	NVHOJJLKUQYYDQ-UHFFFAOYSA-N	270.307	2.682	70	20	CFID	
O=C(C=C1CCC1)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21	161474984	JILFSPCLSARNBD-BFYDXBDKSA-N	253.345	2.799	70	20	CFID	
C[C@@H](N)C1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1	160198194	NIYYJHUVNXHEMT-STHQEUCWSA-N	290.451	2.645	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C)c(C)c1)CC2	160414346	XURVSWYOEZYOHA-CJNGLKHVSA-N	284.407	2.869	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)Cc1ccc2ccccc2c1	160743132	GRYSAKQQMYGEIE-ZDUSSCGKSA-N	299.370	2.840	70	20	CFID	
O=C(NCc1cccnc1)Nc1cccc(OCCF)c1	160888617	JFFAMOCLOXPODE-UHFFFAOYSA-N	289.310	2.752	70	20	CFID	
Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](C)N)c1	160983381	SMCCYTNIFZPSIR-ZFWWWQNUSA-N	260.381	2.786	70	20	CFID	
COC[C@H](NCCCc1cccc(F)c1)C1CC1	159820665	RDVRBXGTAGEUCX-HNNXBMFYSA-N	251.345	2.773	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1Cl	159830462	WMALRHGKZUFVKR-XHDPSFHLSA-N	296.798	2.957	70	20	CFID	
CCOCCSc1nc2ccc(F)cc2c(=O)n1CC	159727182	NJVNILSXLBRFSF-UHFFFAOYSA-N	296.367	2.684	70	20	CFID	
CC(C)[C@H](O)CC(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159761658	MLEVFAKZJQLSRY-OWCLPIDISA-N	275.392	2.846	70	20	CFID	
Cc1cc(NCCc2ccc3c(c2)OCCO3)ccn1	160916711	VLMWNHOIGBASJB-UHFFFAOYSA-N	270.332	2.816	70	20	CFID	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1C	1336923312	ZYZVJEVUBISLOW-UHFFFAOYSA-N	296.323	2.542	70	20	CFID	
CC(C)CN(C)C(=O)c1cccc(Br)n1	217717846	JERMCDXHIORGOZ-UHFFFAOYSA-N	271.158	2.572	70	20	CFID	
C[C@@H](Nc1ccc(C(F)(F)F)nn1)C1CCOCC1	218070865	QPDWCWDNQVJAAL-MRVPVSSYSA-N	275.274	2.722	70	20	CFID	
CCO[C@H]1C[C@H](NC(=O)CC2(N)CCC2)C12CCCCC2	161182273	QVNMFQLHSJATKU-KBPBESRZSA-N	294.439	2.502	70	20	CFID	
CC(C)NC(=O)c1ccc(C(=O)N[C@H](C)C2CCC2)cc1	161423535	SVPZMXXYPLYSNF-GFCCVEGCSA-N	288.391	2.743	70	20	CFID	
CCCC[C@H](CC)CC(=O)N[C@H]1CCC[C@H](N)C1	161458502	FGJOKCOPXJVRLO-IHRRRGAJSA-N	254.418	2.979	70	20	CFID	
CCCCn1ncc(C(=O)Nc2ccc3[nH]nnc3c2)c1C	160088590	ZHFKDGSWMBKSFE-UHFFFAOYSA-N	298.350	2.515	70	20	CFID	
C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@@H]1O	160437593	WAWDDRWLVVFQAT-SWHYSGLUSA-N	281.783	2.548	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc(-n2ccnc2C)nc1	159681268	XQXGEVHCQGJEFT-SNVBAGLBSA-N	290.392	2.656	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)c2ccnn2C(C)C)C12CCC2	159755849	RPMYDLQWIDSIQO-UONOGXRCSA-N	291.395	2.542	70	20	CFID	
CCC1(C(=O)NCCNC2CCCCCC2)CCC1	159660018	OIRPEBKZPSHFMP-UHFFFAOYSA-N	266.429	2.995	70	20	CFID	
CCSCC[C@H](C)NC(=O)c1ccc2c(c1)CNCC2	160229270	HVKIWQDHRIKJOL-LBPRGKRZSA-N	292.448	2.594	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864242269	ACIMRWTVBILKHQ-GWCFXTLKSA-N	299.367	2.653	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1120944715	WEZTWRQLZFVPRF-GWCFXTLKSA-N	299.367	2.653	70	20	CFID	
Cc1cscc1NC(=O)c1cccc(S(=O)(=O)F)c1	1262732852	WWIDIHRYIMVAJT-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
Cc1cc(NC[C@@H]2CCC[C@@H](C)C2)n2ncnc2n1	217926684	FSMXPMXTTOQLHC-ZYHUDNBSSA-N	259.357	2.671	70	20	CFID	
O=S(=O)(F)CCc1c(Cl)cccc1Cl	536954246	KKKWRQBWCDFAQH-UHFFFAOYSA-N	257.113	2.835	70	20	CFID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H](C)[C@@H]2CCOC2)C1	161014964	MYBXBLJOMPCEBN-ARFHVFGLSA-N	282.472	2.902	70	20	CFID	
COc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1N	161022720	GJOPZPWDEKBFMD-DGCLKSJQSA-N	292.379	2.811	70	20	CFID	
CC(C)c1ncc(C(=O)NCCC2CCN(C)CC2)s1	161213761	OEVNFVAGKWZPDO-UHFFFAOYSA-N	295.452	2.728	70	20	CFID	
C[C@@H]1C[C@H](NCC2(c3ccc(F)cc3)CC2)CCN1C	161350193	DEALMQKHRKFFKX-CZUORRHYSA-N	276.399	2.930	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N2CCOC[C@H]2C2CC2)c1	161376989	BZCSXLUUEVVVSP-KRWDZBQOSA-N	287.403	2.873	70	20	CFID	
Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)C)ncn1	161378288	HZSCDTUGHSLJSG-HNNXBMFYSA-N	269.348	2.912	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CCCCN1	161413498	SGOJQKNGGGHIHB-CQSZACIVSA-N	272.348	2.533	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)c3cscn3)c2C)o1	161468000	SFMUPBATQDXXNK-UHFFFAOYSA-N	288.332	2.995	70	20	CFID	
Cc1nc(Cl)cc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160400128	OVYGYMJIFQFUNP-MNOVXSKESA-N	267.760	2.808	70	20	CFID	
CC(C)N(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CC1	160473641	IZZSHXYKJPODII-OCCSQVGLSA-N	266.385	2.526	70	20	CFID	
CCOCCC1(C(=O)N(C)Cc2cccnc2)CCC1	160543296	RZLMXFIYLFKFPH-UHFFFAOYSA-N	276.380	2.637	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@](C)(O)C2)cc1	160666063	HWSIVGBUNZNVGR-CJNGLKHVSA-N	276.380	2.612	70	20	CFID	
CN1CCN(Cc2cnc3ccccn23)C2(CCCCC2)C1	160896937	PMSPBSRKZZOFRD-UHFFFAOYSA-N	298.434	2.785	70	20	CFID	
C[C@H]1CCC[C@H](NC(=O)N(C)CCC(=O)OC(C)(C)C)C1	160914329	OJDPEQHLJAESQM-STQMWFEESA-N	298.427	2.938	70	20	CFID	
O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CCCCO1	159726521	YPWOLELTWHQNHE-GFCCVEGCSA-N	289.360	2.713	70	20	CFID	
CC[C@H](CC(=O)NCC(C)(C)N)c1ccc(C)cc1	159944308	ZNHDWQUNEAIMQL-CYBMUJFWSA-N	262.397	2.732	70	20	CFID	
CCc1noc(C)c1CS[C@H]1CCN(C(C)C)C1=O	159991445	MBZUJECPIYNVSV-ZDUSSCGKSA-N	282.409	2.788	70	20	CFID	
C[C@H]1CCC[C@@H](C)N1C(=O)C[C@@H]1C(=O)Nc2ccccc21	216695442	GLMMDLTYMNMPQB-SCRDCRAPSA-N	286.375	2.902	70	20	CFID	
CCc1ncnc(NCc2cccnc2OC(C)C)c1F	217976166	QNCFDQOTGSFGIU-UHFFFAOYSA-N	290.342	2.972	70	20	CFID	
O=C(NC1CCCCCC1)c1ccc(S(=O)(=O)F)cc1	864238560	NMLFMQIQTMYGRE-UHFFFAOYSA-N	299.367	2.797	70	20	CFID	
COC[C@H](O)CCNC(=O)[C@H](CC1CCCCC1)C(C)C	161197546	MGQBRXVIUSAVRH-HZPDHXFCSA-N	299.455	2.743	70	20	CFID	
CCC(CC)(CNC1C[C@H](C)O[C@@H](C)C1)C(=O)OC	161257450	NVTDFTJKUQTOKU-RYUDHWBXSA-N	271.401	2.511	70	20	CFID	
CCc1noc(CS[C@H](C)C(=O)OC(C)(C)C)n1	161318669	HDGOTDSUEARVLC-MRVPVSSYSA-N	272.370	2.595	70	20	CFID	
CCNC(=O)C(C)(C)CNc1nc(CC)nc(Cl)c1C	161365873	MBPNEDFSFOGFMP-UHFFFAOYSA-N	298.818	2.575	70	20	CFID	
C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2ncn(C)n2)c1	161422322	VNQVTYXYTZUHSV-RISCZKNCSA-N	299.378	2.792	70	20	CFID	
COc1ccc(CNC(=O)N2[C@@H](C)CC[C@@H]2C)cc1	161425064	GMGKUSLYDOLHLW-RYUDHWBXSA-N	262.353	2.778	70	20	CFID	
COc1ccc([C@@H](C)NCC2(CO)CCCC2)c(OC)c1	160073695	WMNVFFSFGMQPRX-CYBMUJFWSA-N	293.407	2.907	70	20	CFID	
Cc1cccc([C@H]2CCCN2CC(=O)N[C@@H](C)C(C)C)n1	160234693	YNAXBHJPZRYDQF-GOEBONIOSA-N	289.423	2.688	70	20	CFID	
CCc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)[nH]n1	160323737	YAZWIFNGSSMHQF-ZDUSSCGKSA-N	291.395	2.584	70	20	CFID	
CC[C@H](NC(=O)c1c(C)noc1C)c1c(C)noc1C	160329329	BRTOFFCAPOJASG-NSHDSACASA-N	277.324	2.777	70	20	CFID	
CCCCS(=O)(=O)N1CCC2(CCCC2)CC1	160604793	OFNUQDYAFUPERG-UHFFFAOYSA-N	259.415	2.773	70	20	CFID	
C[C@@H](NC(=O)C[C@@H]1CCCN1)c1ncc(-c2ccccc2)o1	160479946	SKNUYPIKLTUTER-OCCSQVGLSA-N	299.374	2.661	70	20	CFID	
CC(C)CSCCCNC(=O)Cc1ccc(O)cc1	160742023	JSGUYZVREWLIHL-UHFFFAOYSA-N	281.421	2.830	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(-n2cccn2)nc1	160876652	WRVUTEZUXFKILA-DOMZBBRYSA-N	270.336	2.642	70	20	CFID	
CCCCN(C)c1ccc(C(=O)NC[C@H](C)CCO)cc1	160922366	RGAIHFBDYCAMFA-CQSZACIVSA-N	292.423	2.671	70	20	CFID	
CC(C)OC1CCC(NC(=O)CC[C@@H]2CCCO2)CC1	159417074	KHMIWGVUTDFETE-SLTAFYQDSA-N	283.412	2.798	70	20	CFID	
Cc1ccccc1[C@H](NC(=O)CN)[C@@H]1CCC[C@H](C)C1	159686946	MUNNBBIPPSJSMX-DXCKQFNASA-N	274.408	2.937	70	20	CFID	
COc1ccc(C(=O)NCC2(C3CC3)CC2)c(F)c1	159691014	VXIOYJOQAVFVMQ-UHFFFAOYSA-N	263.312	2.754	70	20	CFID	
CCc1nn(C)cc1C(=O)N[C@H]1CCCc2sccc21	159916919	UVBZMMWOWNDHRW-ZDUSSCGKSA-N	289.404	2.851	70	20	CFID	
CC1CCN([C@H](C)CNC(=O)NCC2(C3CC3)CC2)CC1	159785587	DQYRZUJWSABOQY-CQSZACIVSA-N	293.455	2.596	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1coc2ccccc12	160277284	OGQMWNCUGLCSNF-UHFFFAOYSA-N	273.332	2.715	70	20	CFID	
CCSCC[C@H](C)NC(=O)c1cccc2[nH]cnc12	159748498	JBVZYYIQTYCIDF-JTQLQIEISA-N	277.393	2.824	70	20	CFID	
COc1ccc([C@@H]2CCN(CCOCC3CC3)C2)cc1	160032500	SUCLLBVUBVYHDL-MRXNPFEDSA-N	275.392	2.911	70	20	CFID	
CCOC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2C)C1	160394760	INNDFZLKSXSMCR-LLVKDONJSA-N	282.771	2.542	70	20	CFID	
CC[C@@H](COC(C)(C)CC)CS(=O)(=O)Cl	114472807	LRRXXSCJKOWEQB-VIFPVBQESA-N	256.795	2.786	70	20	CFID	
CC[C@H](C)N(C)CCNc1ccc(C(F)(F)F)nn1	218002679	OPAJEGSQJYKCAB-VIFPVBQESA-N	276.306	2.638	70	20	CFID	
c1cc(CNCCCn2cccn2)c2[nH]ccc2c1	218091677	QRSAZLWSQUHFAA-UHFFFAOYSA-N	254.337	2.544	70	20	CFID	
CC(C)c1noc([C@H]2CCN2C(=O)OC(C)(C)C)n1	218589539	MLMCRZVVZYJPDU-SECBINFHSA-N	267.329	2.875	70	20	CFID	
Cc1cc(N[C@H](CO)CC(C)(C)C)nc(C2CC2)n1	161416730	JZZDMGRGZSSPKT-LBPRGKRZSA-N	263.385	2.871	70	20	CFID	
CCc1noc(C)c1CSCC(=O)NC1CCCC1	160097859	IVJURTMGXUYYNG-UHFFFAOYSA-N	282.409	2.837	70	20	CFID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@@H]1O	160437467	WAWDDRWLVVFQAT-BPNCWPANSA-N	281.783	2.548	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	160503041	FDBITHGEGZCQAD-OLZOCXBDSA-N	296.361	2.702	70	20	CFID	
CCCc1csc(Cn2ncc3ccccc3c2=O)n1	160645390	YKKCJWCUSNMHAJ-UHFFFAOYSA-N	285.372	2.854	70	20	CFID	
COc1cc(CCC(=O)Nc2ncc(C)[nH]2)ccc1Cl	160791247	JBGSGIXNADVHAR-UHFFFAOYSA-N	293.754	2.951	70	20	CFID	
C[C@H]1CCC[C@H](OCC(=O)N(C)Cc2cccn2C)C1	160904844	RUMWSNWJBYJDQM-ZFWWWQNUSA-N	278.396	2.579	70	20	CFID	
CC(C)CN1CCCC[C@H]1CNC(=O)N(C)C1CCC1	160917877	KKYOWNPMGAJMTP-HNNXBMFYSA-N	281.444	2.691	70	20	CFID	
COc1c(C)cnc(CN(C[C@@H]2CCOC2)C2CC2)c1C	160968769	KEAJYEKJJDYCPQ-AWEZNQCLSA-N	290.407	2.708	70	20	CFID	
CC(C)CN1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC1	160977152	RAHPWYLRXSDMDN-HOCLYGCPSA-N	295.471	2.937	70	20	CFID	
Cc1cc(C)cc(-n2ccnc2SCc2nncn2C)c1	160991921	CKLUHRADXALQLL-UHFFFAOYSA-N	299.403	2.910	70	20	CFID	
Cc1c(CNC(=O)[C@@H](c2ccccc2)C2CC2)cnn1C	159408730	LCUDUAVYFUFGRR-INIZCTEOSA-N	283.375	2.539	70	20	CFID	
Cc1ccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c(C)c1	159622328	HPBUMJYQFJMNTL-ZDUSSCGKSA-N	286.379	2.784	70	20	CFID	
COC[C@H](NC[C@@H](C)N1CCc2sccc2C1)C1CC1	159885571	LJCXNIRWJPTGIQ-DOMZBBRYSA-N	294.464	2.509	70	20	CFID	
CC(C)(C(=O)NCC1(N)CCCCC1)c1ccc(F)cc1	159543645	OUXBTHKGQXPJOG-UHFFFAOYSA-N	292.398	2.881	70	20	CFID	
CCS[C@@H]1CCCCN(C(=O)CCNC(C)C)C1	159765082	NIUQOSHBSQLZHM-CYBMUJFWSA-N	272.458	2.509	70	20	CFID	
CCCOC(=O)[C@H](C)N1CCC(OC2CCCC2)CC1	159977939	UFUJDLMDDLGJHM-ZDUSSCGKSA-N	283.412	2.752	70	20	CFID	
CCOC(C)(C)CNc1ccc(S(=O)(=O)CC)cc1	159527935	ZFAKUMVCNGDIAJ-UHFFFAOYSA-N	285.409	2.707	70	20	CFID	
Cc1csc(-c2ccc(OS(=O)(=O)F)cc2)n1	2088600420	RBMLVGGAARDSQL-UHFFFAOYSA-N	273.310	2.712	70	20	CFID	
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)s1	460096401	XJSUDQMZEPDOBX-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
Cc1noc([C@@H]2COCCN2CC2CCC(C)CC2)n1	161024221	FFCYZLRAGSWXPP-UBHUBRDASA-N	279.384	2.578	70	20	CFID	
C[C@@H](NC(=O)[C@H]1CCCNC1)c1ccc(F)cc1Cl	161152726	HWBOWIXSEYYDKB-ZJUUUORDSA-N	284.762	2.656	70	20	CFID	
CC[C@@H](O)CCNC(=O)COc1cc(C)c(Cl)c(C)c1	161281109	YVIFBAQWJZIZSK-GFCCVEGCSA-N	299.798	2.613	70	20	CFID	
C[C@H](C(=O)NCCCOC[C@H]1CCCO1)c1ccsc1	160039162	SFNIAFSOXZNRQJ-GXTWGEPZSA-N	297.420	2.554	70	20	CFID	
COc1ccc(N(C)C(=O)c2ncoc2C)cc1Cl	160181424	HQKJATMPVIRQEY-UHFFFAOYSA-N	280.711	2.922	70	20	CFID	
C[C@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1cc2ccccc2o1	160220459	LCILLHOUBKSSNI-AEGPPILISA-N	298.386	2.889	70	20	CFID	
CCOC[C@H]1CCCN(Cc2c(C)nc3ccccn23)C1	160411405	PTBDYJRBNISSFR-HNNXBMFYSA-N	287.407	2.891	70	20	CFID	
C[C@H](NC(=O)C[C@H]1CCCN1)c1ncc(-c2ccccc2)o1	160480074	SKNUYPIKLTUTER-GXTWGEPZSA-N	299.374	2.661	70	20	CFID	
CC(C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1	160513456	PUKORPDIRBAKMW-UHFFFAOYSA-N	278.278	2.613	70	20	CFID	
C[C@@H](C(=O)N(C)Cc1cccn1C)c1ccsc1	160574201	QOTNXOYHBWQFRJ-LLVKDONJSA-N	262.378	2.849	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N1CCn2c1nc1ccccc12	160888778	WQUYZRRBCSZGIS-MEDUHNTESA-N	269.348	2.819	70	20	CFID	
C[C@@H](CCSc1ccccc1)N(C)C[C@@H](C)O	159456014	IYCVFSJWIWCNCJ-QWHCGFSZSA-N	253.411	2.870	70	20	CFID	
COC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C(C)C)C1CC1	159371710	UCPYOWOJENFMIJ-ZNMIVQPWSA-N	282.428	2.925	70	20	CFID	
CC(C)OC(=O)[C@H]1COc2ccc(Br)cc21	159386276	KZKBTCLCIMUMOA-JTQLQIEISA-N	285.137	2.877	70	20	CFID	
CCOC(=O)C[C@H](C)CNC(=O)C(C)(CC)CC	159394889	BKXXYIUWWULDJS-NSHDSACASA-N	257.374	2.518	70	20	CFID	
O=C(Nc1cccc2c1CCCC2)N[C@H]1CC[C@H](O)CC1	159961433	GAHKFFBNWVAYIP-OKILXGFUSA-N	288.391	2.990	70	20	CFID	
COc1cccc(N2N=C3CCCCC[C@H]3C2=O)c1	160981640	SZSFQYPUPKJYCU-CYBMUJFWSA-N	258.321	2.978	70	20	CFID	
COc1ccc([C@H](C)N(C)CCCCS(C)(=O)=O)cc1	161335043	GUTJGSOEYBCQMT-ZDUSSCGKSA-N	299.436	2.513	70	20	CFID	
CCOC[C@H]1CCCN(CCCN2CCCCC2)C1	161113971	CQXBRGBUZPOOPB-INIZCTEOSA-N	268.445	2.611	70	20	CFID	
c1cnc(CNCC2C3CC4CC(C3)CC2C4)nc1	216876782	RDLLUQWTSASGFE-UHFFFAOYSA-N	257.381	2.639	70	20	CFID	
CC(C)N1CC[C@H](CNCc2cccc3cc[nH]c23)C1	218162521	LDNHPPBCBCAYFX-CQSZACIVSA-N	271.408	2.988	70	20	CFID	
CCOC(=O)[C@H](C)CNC(=O)C1CCC(C)(C)CC1	161023786	XSKGSWSJIIRPGH-LLVKDONJSA-N	269.385	2.518	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)c1cc(C2CCCCC2)n[nH]1	161150755	RLFXYBVCQUTSOP-CYBMUJFWSA-N	293.411	2.594	70	20	CFID	
COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCCO2)cc1	161328575	CUNIATHDUJETIE-JKSUJKDBSA-N	289.375	2.928	70	20	CFID	
CCNC(=O)C(C)(C)CNc1ncccc1C(F)(F)F	161356667	MZMDIGKOUXFOBU-UHFFFAOYSA-N	289.301	2.675	70	20	CFID	
O=C(C[C@@H]1CCCN1)N(CC1CCC1)c1ccccc1	161438802	JZHAILVHSXUNFJ-HNNXBMFYSA-N	272.392	2.962	70	20	CFID	
COc1ccc([C@H](C)[C@@H](C)N[C@@H](CCO)CSC)cc1	160306097	YMEOILKLOHYRDS-NFAWXSAZSA-N	297.464	2.891	70	20	CFID	
O=C1[C@@H](Oc2cccc(F)c2)CCCN1CC(F)(F)F	160531952	ZTQRUQPEOWDZIT-NSHDSACASA-N	291.244	2.758	70	20	CFID	
CCC(CC)CNC(=O)NCc1ccc(O)c(F)c1	160583709	GOMHXEBUVGKQJP-UHFFFAOYSA-N	268.332	2.767	70	20	CFID	
Cc1csc(CCCCN[C@@H](C)c2cnccn2)n1	160668388	ZJYSTHLEVKYHMG-LBPRGKRZSA-N	276.409	2.915	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NC[C@@]1(C)CCCC[C@H]1O	160760241	IKQKRPSJDIYYLB-IUODEOHRSA-N	296.798	2.714	70	20	CFID	
CC[C@@H](C)OCC(=O)N1CCc2c(F)cccc2C1	160890240	RIYSDKBCLHEEMS-LLVKDONJSA-N	265.328	2.526	70	20	CFID	
CN(CCC1CC1)C(=O)NCCc1cccs1	160907934	FCXOXTSTUUUYMK-UHFFFAOYSA-N	252.383	2.732	70	20	CFID	
CC(C)COCCCNC(=O)NC[C@@]1(C)CCCS1	159412592	MGPYUKVKYHGMOS-CQSZACIVSA-N	288.457	2.634	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCC[C@H](N)C2)cc1	159657547	RMFCKQAYUQMTAD-BPUTZDHNSA-N	274.408	2.732	70	20	CFID	
CCOCc1cccc(NC(=O)NOCC(C)C)c1	159851142	SLMXWBQOMMARMM-UHFFFAOYSA-N	266.341	2.932	70	20	CFID	
O=C(CCC1CCOCC1)N[C@H]1CCOC2(CCCC2)C1	159886708	AYYCYGZUKIHLQQ-HNNXBMFYSA-N	295.423	2.801	70	20	CFID	
Cc1cc(NC(=O)C[C@H](C)c2ccccc2F)c[nH]c1=O	159363574	LQDMYIQRQHKHEW-JTQLQIEISA-N	288.322	2.955	70	20	CFID	
CC(C)c1nc(CN(C)OCc2ccccc2)no1	159632986	BQWMMTQBBHKZFW-UHFFFAOYSA-N	261.325	2.757	70	20	CFID	
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C(C)(F)F	460087207	AAVVNRBAYKAXPB-ZETCQYMHSA-N	295.282	2.575	70	20	CFID	
CC(C)[C@@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1	161071913	PYQXBDFHTDBZHD-CQSZACIVSA-N	278.400	2.769	70	20	CFID	
O=C(C[C@H]1CCCCO1)N1CCc2c(F)cccc2C1	161102804	VNSIBYAJMHJACI-CYBMUJFWSA-N	277.339	2.670	70	20	CFID	
CCN1C(=O)c2ccccc2N[C@H]1c1ccn(C)c1	160239698	PIAUVIBPJPAINV-CQSZACIVSA-N	255.321	2.612	70	20	CFID	
O=C(Nc1cccc(F)c1F)N1CCOC2(CCC2)C1	160465112	ZGYFBCHKPKMEKQ-UHFFFAOYSA-N	282.290	2.752	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@@H]1CCc2ccccc21	160540168	QKIGMISXUMBBIA-AWEZNQCLSA-N	274.408	2.740	70	20	CFID	
CCCC1(CNC(=O)COCCOc2ccccc2)CC1	160615635	NXHFVPILSONQII-UHFFFAOYSA-N	291.391	2.779	70	20	CFID	
CCCc1nnc(NC(=O)C[C@H](C)SC)s1	160755616	IYQGZEWTDPDXTG-ZETCQYMHSA-N	259.400	2.571	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NC[C@]1(C)CCCC[C@H]1O	160760112	IKQKRPSJDIYYLB-DOMZBBRYSA-N	296.798	2.714	70	20	CFID	
Cc1nccc(NC(=O)NC[C@H]2CCC[C@@H](O)C2)c1Cl	159830089	GYNYTVOLYFQHSO-WDEREUQCSA-N	297.786	2.716	70	20	CFID	
Cc1cc(NC(=O)CC2(C)CCCCC2)c[nH]c1=O	159686671	RKUQIYDKUHBEPQ-UHFFFAOYSA-N	262.353	2.982	70	20	CFID	
C/C=C/C=C/C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	159899306	YGVNNKNKEMKYOF-KOLBBGODSA-N	253.345	2.821	70	20	CFID	
O=C(/C=C/c1ccco1)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	159904772	YIWMVBSVZRVRRN-XQBPWGKXSA-N	279.339	2.995	70	20	CFID	
c1cn(CCSc2ncnc3ccsc23)cn1	159749596	RHWMXOWJWIHINZ-UHFFFAOYSA-N	262.363	2.680	70	20	CFID	
CC(C)[C@@H](O)CC(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159761782	MLEVFAKZJQLSRY-PMPSAXMXSA-N	275.392	2.846	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1ccc2ccccc2c1	159798246	BPNKHYZJJVLLNN-UHFFFAOYSA-N	299.374	2.830	70	20	CFID	
C[C@H](Nc1nc(C(C)(C)C)ns1)C(=O)N1CCCCC1	159397439	NZPMOJDXKQYARJ-JTQLQIEISA-N	296.440	2.649	70	20	CFID	
O=C([C@@H]1CCCNC1)N1CCCC2(CCCCC2)C1	159858971	ZHBSGVYTHJUJHA-CQSZACIVSA-N	264.413	2.559	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@@H](C)c1cccs1	160879598	ZCLOLEBAKBGSBQ-LBPRGKRZSA-N	289.466	2.954	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1	161182963	MBBGGKXSXFJAPO-ZJUUUORDSA-N	287.190	2.993	70	20	CFID	
CCNCC1CCN(C(=O)c2sccc2SC)CC1	161005696	ZGDCPQJHKOCHON-UHFFFAOYSA-N	298.477	2.932	70	20	CFID	
CCCn1c(C)nnc1CN1CCOc2ccc(F)cc21	161018723	SXRJSSSSXFKFNH-UHFFFAOYSA-N	290.342	2.535	70	20	CFID	
CC[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1	161118466	IESVRUHLXVZDCL-JTQLQIEISA-N	290.285	2.612	70	20	CFID	
Cc1ccc2cc(C(=O)NCC3CCN(C)CC3)ccc2n1	161291163	YZMKBNNJFRQEIW-UHFFFAOYSA-N	297.402	2.615	70	20	CFID	
CCCCn1ncc(C(=O)Nc2ncccc2C)c1C	160083194	NQWUJTBUENJWAO-UHFFFAOYSA-N	272.352	2.947	70	20	CFID	
CC(C)c1cc(C(=O)Nc2ccn(CC(F)F)n2)no1	160152822	KTDOFRYFWAJRPN-UHFFFAOYSA-N	284.266	2.512	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)NCC(C)(C)[C@@H](O)C(C)C	160221364	XYLVMAIYIVZGJH-OLZOCXBDSA-N	272.433	2.763	70	20	CFID	
CN(CCN(C)c1ccccc1)Cc1cnc2ccccn12	160243966	LGVDGKLTEIKJRJ-UHFFFAOYSA-N	294.402	2.903	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1cncs1	160265084	KYWIPOZZIJOLIG-UHFFFAOYSA-N	287.388	2.956	70	20	CFID	
CC(C)OCCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160418226	CCQBFVQBASRANG-AWEZNQCLSA-N	283.412	2.800	70	20	CFID	
Cc1cc(C(=O)N[C@H](CO)CC(C)C)nc2ccccc12	160956562	IFCKFWNZYGVCBV-ZDUSSCGKSA-N	286.375	2.680	70	20	CFID	
CCc1ncc(C(=O)NCCNC2CCCCCC2)s1	159666221	PKGKDQFXKWIEES-UHFFFAOYSA-N	295.452	2.748	70	20	CFID	
Cc1cc(C)c(C(=O)NCCCN(C)Cc2ccccc2)[nH]1	159693438	ZCCNBOVPIRRMTQ-UHFFFAOYSA-N	299.418	2.883	70	20	CFID	
Cc1ccc(-c2nnc(SCCn3ccnc3)[nH]2)cc1	159704404	LOCWEBYCUXPAGI-UHFFFAOYSA-N	285.376	2.769	70	20	CFID	
CCC(C)(CC)C(=O)N[C@@H]1CCN(c2ccccn2)C1	159369175	OMMFDFATBPDFAT-CYBMUJFWSA-N	275.396	2.603	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)o1	159374100	MKIIQBLAMIDJHK-CQSZACIVSA-N	270.332	2.978	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)c1F	161476886	PZLNJHHRYOIKSG-STQMWFEESA-N	263.312	2.528	70	20	CFID	
C[C@H](CC(=O)Nc1cccc(S(=O)(=O)F)c1)C1CC1	809281101	QBDPJPJYBRAQKJ-SECBINFHSA-N	285.340	2.720	70	20	CFID	
CCCN(CC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1338115256	KCZAUGVHQZKTOP-UHFFFAOYSA-N	287.356	2.525	70	20	CFID	
CCN(C)C(=O)CNC1CC(c2ccccc2Cl)C1	217383007	FKSSXDHMEPJABD-UHFFFAOYSA-N	280.799	2.654	70	20	CFID	
COCCC1(CNC(=O)N2CCC(C(C)C)CC2)CC1	161023632	YGOWIGAVUGPAKB-UHFFFAOYSA-N	282.428	2.881	70	20	CFID	
C/C=C(\C=C\C(=O)NC[C@H](O)c1ccc(OC)cc1)CC	160233502	HMWBHRQIXNCKNK-JRTFRYRUSA-N	289.375	2.757	70	20	CFID	
CNC(=O)c1ccc(NC(=O)C2CCCC2)c(Cl)c1	160329399	RYWBHHPFORXUBG-UHFFFAOYSA-N	280.755	2.828	70	20	CFID	
CC(C)c1noc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160415348	PXCXDIHOURTYSF-WDEREUQCSA-N	251.330	2.563	70	20	CFID	
Cc1ccc2c(c1)N(C(=O)N[C@@H]1CCN(CC3CC3)C1)CC2	160652246	KBAKYBAQYYUAGO-MRXNPFEDSA-N	299.418	2.551	70	20	CFID	
Cc1c(/C=C/C(=O)N2CCC[C@H]2C2CCCC2)cnn1C	160710122	XAIAKHAMFVGENX-SCOAYWHSSA-N	287.407	2.923	70	20	CFID	
Cc1ccc([C@H]2CCCCN2C(=O)CCCN)cc1	159914013	WYOFOSOYXPTUFI-OAHLLOKOSA-N	260.381	2.788	70	20	CFID	
Cc1cccc([C@H](C)C(=O)N2CCN(C(C)C)CC2)c1	159557634	UGNORUBPKBIVDM-HNNXBMFYSA-N	274.408	2.651	70	20	CFID	
CCN1CCC[C@H]1CNC(=O)[C@@H](C)OC1CCCCCC1	159572723	KDWHLXRROFUJBC-CABCVRRESA-N	296.455	2.715	70	20	CFID	
CCCn1nccc1CNC[C@H](c1ccccc1)N(C)C	159972953	ZGJGHFNJLYWCGI-QGZVFWFLSA-N	286.423	2.686	70	20	CFID	
CC[C@@H]1CCN(C(=O)C[C@@H]2CNc3ccccc32)C1	159625414	MAFSFZCBMOJINR-CHWSQXEVSA-N	258.365	2.844	70	20	CFID	
CC(C)N(CCSCC(=O)NCc1ccco1)C(C)C	160952674	JINJILREPNKHLT-UHFFFAOYSA-N	298.452	2.748	70	20	CFID	
CC[C@@H](CCO)CNc1ccncc1Br	159865078	VNNHMAVJEWOSND-VIFPVBQESA-N	273.174	2.665	70	20	CFID	
COc1ccc(C(=O)NC[C@H]2CCC[C@H](C)C2)c(O)c1	218010089	YIJQXUDQTUVXPY-RYUDHWBXSA-N	277.364	2.957	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2OC2CCC2)C1	161012751	GBKYYHARQYGWKC-CHWSQXEVSA-N	288.391	2.618	70	20	CFID	
C[C@H](NC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1	161120156	MZRQLHQBOZPTGQ-GXTWGEPZSA-N	278.396	2.844	70	20	CFID	
Cc1cccc(CNC(=O)N[C@H]2CCOC(C)(C)C2)c1	161428522	DNYCYFFDBLRJNO-AWEZNQCLSA-N	276.380	2.752	70	20	CFID	
Cc1ccc(C(=O)C(=O)Nc2ccnc(C)c2)cc1	160065923	CTFDUYXIKNXYRF-UHFFFAOYSA-N	254.289	2.520	70	20	CFID	
CCN(C(=O)NCCCC(=O)OC(C)C)C1CCCC1	160194900	OHDAFZMELJAUHG-UHFFFAOYSA-N	284.400	2.692	70	20	CFID	
CCn1nccc1/C=C/C(=O)NCCC1=CCCC1	160207178	QNOBYMMQWDPFFX-BQYQJAHWSA-N	259.353	2.533	70	20	CFID	
CCC[C@H](C(=O)N1CCOc2ccncc21)C(C)C	160243279	LMTOTXFFOHBLCF-LBPRGKRZSA-N	262.353	2.879	70	20	CFID	
CC(C)c1nccc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160348494	FEMAZEVXRAXCSX-CHWSQXEVSA-N	261.369	2.970	70	20	CFID	
CCN(C(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)C	160617594	DZHKHKBQGDRYGE-UHFFFAOYSA-N	287.367	2.744	70	20	CFID	
COc1ccc(CN(C)C[C@@H]2CCOC2)cc1Cl	160685268	HDFNFLIEPPDYOS-LBPRGKRZSA-N	269.772	2.817	70	20	CFID	
NC(=O)[C@H]1CCCCC[C@@H]1Nc1nc2cc(F)ccc2o1	160732455	INZSSJINPKQZSE-QWRGUYRKSA-N	291.326	2.813	70	20	CFID	
CC1(C)CCC(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1	160896075	LOLLMZXWZBGPIV-ZDUSSCGKSA-N	294.439	2.718	70	20	CFID	
CCC[C@H](C(=O)Nc1nc2ccc(F)cn2n1)C(C)C	159801294	ZKLQBKGGALEBCA-NSHDSACASA-N	278.331	2.879	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnc2c(c1)c(C)nn2C	159637800	UOZFVEPDJVEJHT-FZMZJTMJSA-N	286.379	2.585	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccc2c(c1)OCCO2	159446012	BGDMSNRQPPKVJJ-DYVFJYSZSA-N	289.375	2.553	70	20	CFID	
COc1ccc(N(C)C(=O)C2CCCC2)cc1F	159466888	LTMVEESWSLBCFY-UHFFFAOYSA-N	251.301	2.987	70	20	CFID	
CN(Cc1nc2ccc(F)cc2o1)C[C@@H]1CCC[C@@H]1O	159736575	PFTLSAZUTXZNKF-GWCFXTLKSA-N	278.327	2.560	70	20	CFID	
CS[C@@H](C)CNC(=O)NCCCN(C(C)C)C(C)C	159946059	OWROETHFIYVJKQ-ZDUSSCGKSA-N	289.489	2.546	70	20	CFID	
CC(C)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cn1	159373888	UEHJBCKWFSJWLA-UHFFFAOYSA-N	283.331	2.556	70	20	CFID	
CCCn1nccc1CNC1CCN(C(C)(C)C)CC1	160104344	NDKJLNJQJTUGPF-UHFFFAOYSA-N	278.444	2.646	70	20	CFID	
COCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1	159701944	SKKLTJDDSCWOKB-UHFFFAOYSA-N	281.661	2.735	70	20	CFID	
CCC(CC)[C@H](O)CNc1ccc(C(F)(F)F)nn1	218014612	FXECGYGQKBAORZ-SECBINFHSA-N	277.290	2.704	70	20	CFID	
Cc1cc(C)cc(OCCCS(=O)(=O)Cl)c1	100495436	GGKHSEMSEBUMCK-UHFFFAOYSA-N	262.758	2.641	70	20	CFID	
COc1c(F)cc(NC2CCC(NC(C)=O)CC2)cc1F	161097531	PZZFEUHCRFSDRN-UHFFFAOYSA-N	298.333	2.833	70	20	CFID	
CCN(C(=O)c1cc(C)ncn1)c1ccc(F)cc1	161432511	UPCLWVNTVHBBSJ-UHFFFAOYSA-N	259.284	2.591	70	20	CFID	
CCO[C@H](C)c1nccn1CC(=O)N(CC(C)C)C1CC1	161464937	RRSBCQQETMZQHH-CYBMUJFWSA-N	293.411	2.628	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H]2CCC[C@@H]21	160122894	MCUNERLYXNBRRS-KBPBESRZSA-N	296.411	2.692	70	20	CFID	
CCOc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)c(C)c1	160146882	PLGZNWZVJNZGCV-CYBMUJFWSA-N	299.374	2.791	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC2(CCCC2)C1	160156103	OPHCWCQKOVODDP-UHFFFAOYSA-N	296.411	2.694	70	20	CFID	
CCN1C(=O)c2ccccc2N[C@@H]1c1ccn(C)c1	160239835	PIAUVIBPJPAINV-AWEZNQCLSA-N	255.321	2.612	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cc(C)sc1C)CC2	160332949	FVRANQVEUGJKTC-MFKMUULPSA-N	290.436	2.930	70	20	CFID	
Cc1cc(C)nc(NC(=O)Nc2ccn(CC(F)F)n2)c1	160449851	WZVWXKQXHNYDPD-UHFFFAOYSA-N	295.293	2.804	70	20	CFID	
CCC[C@H]1C[C@H](C(=O)Nc2cccc(F)n2)CCO1	160543550	OIQVGQYNQYLCOE-MNOVXSKESA-N	266.316	2.755	70	20	CFID	
CCCNC(=O)c1cccc(CN[C@@H](C)C(C)C)c1	160579716	LGASOTXBRKLOMO-ZDUSSCGKSA-N	262.397	2.961	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCc2cc(C(=O)OC)ccc21	160767801	TYUHXALXZQJYPZ-CXAGYDPISA-N	287.359	2.799	70	20	CFID	
CN(Cc1cccn1C)C(=O)C[C@H]1OCCc2ccccc21	160818488	WEIYHLZWEKMDFL-QGZVFWFLSA-N	298.386	2.688	70	20	CFID	
O=C([C@H]1CC1(Cl)Cl)N1CCc2c(F)cccc2C1	160844385	HVYZYPUXEFFWEW-SNVBAGLBSA-N	288.149	2.904	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2ccccc2s1	160857434	GANUWXHHJGQMBF-JTQLQIEISA-N	291.372	2.973	70	20	CFID	
CCNC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	160952301	UJFNLIJKLKIBJB-UHFFFAOYSA-N	293.367	2.853	70	20	CFID	
C[C@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccc(Cl)s1	159402416	KNJWMMMSLAQCIO-GARJFASQSA-N	298.839	2.858	70	20	CFID	
CSCCCCC(=O)N(C)Cc1nccn1C(F)F	159446841	BSRKWGXEXPNSDB-UHFFFAOYSA-N	291.367	2.770	70	20	CFID	
CNCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1	159780675	HSQZOOOXOMQNBE-CZUORRHYSA-N	260.381	2.514	70	20	CFID	
CCC(CC)(CN)C(=O)N1CCS[C@@H]2CCCC[C@@H]21	161247575	UZVHXIYIULGJKU-QWHCGFSZSA-N	284.469	2.638	70	20	CFID	
C[C@@H](OCCCS(=O)(=O)Cl)c1ccccc1	112395377	BTWGITYILNXPQX-SNVBAGLBSA-N	262.758	2.723	70	20	CFID	
O=C(Cc1ccsc1)Nc1cccc(S(=O)(=O)F)c1	460089604	FXVGAEHLYSXNNU-UHFFFAOYSA-N	299.348	2.588	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@H](C)[C@H]1C	1337989638	HWMGKIZOJKXKHK-GXSJLCMTSA-N	299.367	2.524	70	20	CFID	
CC(C)(COCc1ccccc1)CS(=O)(=O)Cl	114472588	LKACFDANTYXKMT-UHFFFAOYSA-N	276.785	2.798	70	20	CFID	
CCOc1ccccc1CNCCN(C)[C@H](C)CC	217385823	RMMYJTBWQGSJCW-CQSZACIVSA-N	264.413	2.905	70	20	CFID	
CS[C@H]1CCC[C@H](Nc2nccn3c(C)nnc23)C1	218055668	CYUJDRWFAVSQDE-QWRGUYRKSA-N	277.397	2.519	70	20	CFID	
Cc1cc(C[C@@H](C)NC(=O)C(C)(C)CC(C)C)n[nH]1	161179976	SNBCUVOQWGLAHN-LLVKDONJSA-N	265.401	2.838	70	20	CFID	
Cc1cc(C[C@H](C)NC(=O)C(C)(C)CC(C)C)n[nH]1	161180100	SNBCUVOQWGLAHN-NSHDSACASA-N	265.401	2.838	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)CC2(N)CCC2)C12CCCCC2	161182142	QVNMFQLHSJATKU-UONOGXRCSA-N	294.439	2.502	70	20	CFID	
COCC(C)(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1	161283414	DDTNHGPIQLXERX-UHFFFAOYSA-N	290.363	2.646	70	20	CFID	
CCS[C@@H](C(=O)Nc1ccc(OC)c(N)c1)C(C)C	161394402	ZONIIMCQONQKEA-CYBMUJFWSA-N	282.409	2.994	70	20	CFID	
CN(CCCn1ccnc1)c1nc(C(C)(C)C)ns1	160013302	DSTWJYHBTDQRKR-UHFFFAOYSA-N	279.413	2.559	70	20	CFID	
CCOc1ccc([C@@H](C)N[C@H](CCO)CSC)cc1	160404082	GARFCEFOFIUSCH-TZMCWYRMSA-N	283.437	2.850	70	20	CFID	
Cc1ccsc1C(=O)NC[C@H]1CCCN1CC(C)C	160456128	KCQIDMIBYOUEEK-CYBMUJFWSA-N	280.437	2.907	70	20	CFID	
CC(C)CCN(C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1	160634526	TZRJQBNERIKQAW-HNNXBMFYSA-N	293.455	2.691	70	20	CFID	
CCCC1(CNC(=O)/C=C/c2cncc(F)c2)CC1	160822619	ZZYKJLPSXQYLGY-ONEGZZNKSA-N	262.328	2.930	70	20	CFID	
Cn1cnnc1CN(C1CC1)[C@@H]1CCCc2ccccc21	160834807	ANSQISCLKDAYRA-MRXNPFEDSA-N	282.391	2.857	70	20	CFID	
CCC[C@@](C)(NC(=O)c1ccc(C(C)C)nc1)C(=O)OC	160919286	UZKQIWUBRFXVDS-MRXNPFEDSA-N	292.379	2.667	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CCCS1	160997071	NMXLJXDLDWRJOJ-SKDRFNHKSA-N	283.418	2.721	70	20	CFID	
CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C	159864395	KKTMBMGNKIIFLP-NOZJJQNGSA-N	298.180	2.757	70	20	CFID	
Cc1cccc(NC(=O)N2CCC(Cn3ccnn3)CC2)c1	159719489	MNISQRFWDUUPOC-UHFFFAOYSA-N	299.378	2.531	70	20	CFID	
N[C@H](C(=O)NC[C@@H]1CCc2ccccc21)c1ccccc1	159730960	HEARZBUMLJGJIU-RDJZCZTQSA-N	280.371	2.533	70	20	CFID	
COCCSc1nnc(-c2cccc(Cl)c2)n1C	159736456	CDKJRIAUWUAQGA-UHFFFAOYSA-N	283.784	2.874	70	20	CFID	
CCc1noc(C)c1CS[C@H](C)C(=O)NCC(C)C	159970097	PTLVBFREKVUKGV-LLVKDONJSA-N	284.425	2.939	70	20	CFID	
Cc1ccc([C@H](C)NCC(=O)NCC(F)(F)F)cc1C	160557947	GROSXGPCVGQTEZ-NSHDSACASA-N	288.313	2.633	70	20	CFID	
C[C@]1(C(=O)Nc2nc3c(s2)CCCCC3)CCCNC1	161323520	HODRSGYKWUTNAR-HNNXBMFYSA-N	293.436	2.740	70	20	CFID	
CCN(C[C@@H]1CCCO1)C[C@@H](O)c1cc2ccccc2o1	216953295	DKUBMMHXKILCOP-LSDHHAIUSA-N	289.375	2.967	70	20	CFID	
COc1ccc2ccccc2c1CS(=O)(=O)Cl	218730042	HBZVSYOOEKTBSQ-UHFFFAOYSA-N	270.737	2.917	70	20	CFID	
COc1ccc2c(c1)[C@@H](N[C@@H](C)[C@@H]1CCCO1)CCO2	217966533	LPEBRBWGYRPVPL-CQDKDKBSSA-N	277.364	2.676	70	20	CFID	
CC[C@@H](C(=O)NCC(C)(C)C(=O)OC)c1ccc(F)cc1	161014158	CVLVRWPEPCJIHW-CYBMUJFWSA-N	295.354	2.635	70	20	CFID	
CN(C)C(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCCC(C)(C)C1	161056579	JTXPCKPTGXVRAI-UONOGXRCSA-N	294.439	2.672	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@@H](N)Cc2ccccc2)cc1	161168579	WGDSCPBOEDAWAX-YJBOKZPZSA-N	296.414	2.785	70	20	CFID	
CCCc1nnc(NC(=O)N[C@H]2CCOC(C)(C)C2)s1	161201175	OHQCVMXHNLGQKV-VIFPVBQESA-N	298.412	2.570	70	20	CFID	
CCC(CC)(CN)C(=O)N[C@@H]1CCCOc2ccccc21	161202188	VECJXBGXSJAZGL-CQSZACIVSA-N	290.407	2.782	70	20	CFID	
C[C@H](CNC(=O)NC1(C)CCC1)Oc1ccccc1	161232264	GBQSDYHHOALFFZ-GFCCVEGCSA-N	262.353	2.696	70	20	CFID	
CCCCc1nnc(NC(=O)CO[C@H](C)CC)s1	160349018	GARMGOHNRBIUPN-SECBINFHSA-N	271.386	2.634	70	20	CFID	
C[C@@H](NC[C@@H](C1CCCCC1)N(C)C)c1cnccn1	160402705	LRIHMFFEYMIFAK-CJNGLKHVSA-N	276.428	2.638	70	20	CFID	
COCCOc1ccc(CN[C@@H]2CCOC(C)(C)C2)cc1	160525962	AFLPGIQZBHZEAT-OAHLLOKOSA-N	293.407	2.759	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2cc(F)ccc2o1	160527493	VWHMHLLPFAOXRU-VIFPVBQESA-N	293.294	2.643	70	20	CFID	
CCc1nnc(NC(=O)NCCc2cccc(C)c2)s1	160604642	KBPNXMRTUXNQAV-UHFFFAOYSA-N	290.392	2.773	70	20	CFID	
O=C(NOCc1cccnc1)C12CC3CC(CC(C3)C1)C2	160778457	VRPGPCBYDRBGQO-UHFFFAOYSA-N	286.375	2.846	70	20	CFID	
Cc1ccc(F)cc1C(=O)N(C)Cc1cccn1C	160859450	SQZCSJYKYFTDIF-UHFFFAOYSA-N	260.312	2.745	70	20	CFID	
Cc1cc(NC(=O)c2ccccc2OC(F)F)c[nH]c1=O	159618166	OXOJRIJQDNANDG-UHFFFAOYSA-N	294.257	2.537	70	20	CFID	
COCCCCC(=O)N[C@H]1CCc2c(OC)cccc21	159894956	VPTCCZDMUKVLOW-AWEZNQCLSA-N	277.364	2.615	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)CN(C)C	159910017	PCEKZHYZDCRDEM-STQMWFEESA-N	294.464	2.864	70	20	CFID	
CCCc1cc(C(=O)N2CC[C@@]3(CCNC3)C2)sc1C	159369985	BGVZXBHEERQVCT-MRXNPFEDSA-N	292.448	2.835	70	20	CFID	
CC[C@H](C(=O)NCC1(CO)CCCC1)c1ccccc1	160266121	ZYDAOSRWILGRCK-HNNXBMFYSA-N	275.392	2.849	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1	161391022	OICCDDNFPWZOLS-QWHCGFSZSA-N	280.799	2.659	70	20	CFID	
COc1ccc(C(=O)Cn2c(C)nc3c2CCCC3)cc1	216708846	BOZFBYAFCNQVHU-UHFFFAOYSA-N	284.359	2.962	70	20	CFID	
COc1ccc(CS(=O)(=O)Cl)c2ccccc12	261325900	CHXAGNCYPXARDG-UHFFFAOYSA-N	270.737	2.917	70	20	CFID	
Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c1	217831011	YKIHIVJIJYRZEU-BXUZGUMPSA-N	281.783	2.929	70	20	CFID	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C)(O)CC2)o1	161280252	YHZJUDYNEQWOCN-JSGCOSHPSA-N	291.391	2.709	70	20	CFID	
CC(C)(C)CCCCNC(=O)[C@H]1CCn2ccnc2C1	161422816	JDXHYHBOGANOBM-ZDUSSCGKSA-N	277.412	2.778	70	20	CFID	
Cc1cccc(C(=O)Nc2cccc(NC(N)=O)c2)c1F	161430783	SIBNBVLBAYYBJE-UHFFFAOYSA-N	287.294	2.877	70	20	CFID	
CCc1noc(CC)c1CC(=O)NCC1(C2CC2)CC1	160167342	HODSDLWJRCNKJM-UHFFFAOYSA-N	276.380	2.648	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160242993	JVXFIOOZBOXQFA-NHYWBVRUSA-N	261.321	2.814	70	20	CFID	
Cc1cscc1CNC(=O)N1CCC[C@@H](C)C1	160697388	DTJTWQBJQXTWHW-SNVBAGLBSA-N	252.383	2.998	70	20	CFID	
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)C1	160764863	JRZPMKAXCLATHS-MELADBBJSA-N	296.411	2.550	70	20	CFID	
CC[C@@H](C(=O)N(C)C[C@@H]1CCOC1)c1ccc(F)cc1	160794622	VVUIJBYOFHCUSA-SWLSCSKDSA-N	279.355	2.814	70	20	CFID	
OC[C@@H](NCc1cccc2c1NCCC2)c1ccccc1	159414103	MGJNFZQRYICKGE-QGZVFWFLSA-N	282.387	2.868	70	20	CFID	
CCc1ccc(CC(=O)Nc2cccc3c2C(=O)NC3)cc1	159623719	HUNDUDBQLCXIMI-UHFFFAOYSA-N	294.354	2.674	70	20	CFID	
O=C(CC1CCC1)N[C@H]1CCOC2(CCCC2)C1	159431673	AJEAMGZQRWSSOP-ZDUSSCGKSA-N	251.370	2.785	70	20	CFID	
CCc1ccc([C@@H](C)NC(=O)N2CCC[C@](C)(O)C2)cc1	159844864	RSBWKZXUPROONM-DYVFJYSZSA-N	290.407	2.866	70	20	CFID	
CN(C)c1cc(C(=O)N2CCCCC2)c2ccccc2n1	159856960	SCNPDHYXVSIFIW-UHFFFAOYSA-N	283.375	2.927	70	20	CFID	
CCN(Cc1ccccc1C)C(=O)[C@@H]1CCn2ccnc2C1	159460093	DQLTVGCYXWXJFK-OAHLLOKOSA-N	297.402	2.803	70	20	CFID	
COCC1(CS(=O)(=O)Cl)CCCCCC1	114475005	IODOYGABOXMMJY-UHFFFAOYSA-N	254.779	2.542	70	20	CFID	
COc1ncccc1NC(=O)N[C@H](C)CC(C)C	160541384	TVBOODOHRJAIIT-SNVBAGLBSA-N	251.330	2.646	70	20	CFID	
Cc1ccc(C)c(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218757465	JKBQOANXPRNJLD-KBPBESRZSA-N	277.389	2.785	70	20	CFID	
C1CNC[C@H](CCNC2C3CC4CC(C3)CC2C4)C1	216873425	YBNJKPWRLYZYOO-CNSOWSRNSA-N	262.441	2.790	70	20	CFID	
Cc1cc2cc(NC(=O)N3CCC[C@@](C)(O)C3)ccc2[nH]1	161319957	JRPPPQUVZMDKJO-MRXNPFEDSA-N	287.363	2.855	70	20	CFID	
Cn1nccc1CSc1ncccc1Br	161387684	AQJNSJFFXLYWGK-UHFFFAOYSA-N	284.182	2.870	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O	160044453	BJANQQILHMKZSB-GFCCVEGCSA-N	275.348	2.614	70	20	CFID	
CN(CCOc1cccc(Cl)c1)C(=O)C1(C)CC1	160059296	URFDIZLRLRQJJR-UHFFFAOYSA-N	267.756	2.977	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCc1ccc(C)cc1C	160068408	VLLVOOLLTXXKRW-AWEZNQCLSA-N	291.391	2.694	70	20	CFID	
Cc1cncc(NC[C@@](C)(O)c2ccccc2Cl)n1	160185255	UWJPSIUFRHMWOX-CQSZACIVSA-N	277.755	2.758	70	20	CFID	
O=C(C[C@@H]1COC(=O)C1)Nc1cccc(C(F)F)c1	160244444	FCGXJXFMIKNFCX-QMMMGPOBSA-N	269.247	2.516	70	20	CFID	
CC[C@@H](NC(=O)CCc1ccccn1)c1c(C)noc1C	160249046	BLWLBRZFLHUEPO-CQSZACIVSA-N	287.363	2.887	70	20	CFID	
Cc1ccc(CNC(=O)c2ccnn2C(C)C)cc1F	160291560	RSMFNEHGSFYURS-UHFFFAOYSA-N	275.327	2.842	70	20	CFID	
CC1CCC(O)(CN2CCN(c3cccs3)CC2)CC1	160305926	CNAVNNMDDDJQGC-UHFFFAOYSA-N	294.464	2.811	70	20	CFID	
Cc1ocnc1C(=O)Nc1cccc(OCCF)c1	160478581	BPXYOLLOQZMUPE-UHFFFAOYSA-N	264.256	2.584	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)c1cccc(C)c1	160472492	DIYMXVMGBOHTRF-STQMWFEESA-N	277.364	2.556	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NCCN2CCC[C@H](C)C2)on1	160590824	CFYGTEBMKWPTDA-STQMWFEESA-N	293.411	2.650	70	20	CFID	
CCCC1(CNC(=O)c2cccnc2OCC)CC1	160603009	XLFMOXXUZYAQKV-UHFFFAOYSA-N	262.353	2.790	70	20	CFID	
CCN(CC)CCC[C@H](C)NC(=O)C[C@@H](C)SC	160645125	UCGWVCLAGCYFRS-QWHCGFSZSA-N	274.474	2.755	70	20	CFID	
CCCCN(Cc1ccc(CC)o1)[C@@H]1CCS(=O)(=O)C1	160771697	FMOCPYRTXNQVLF-CYBMUJFWSA-N	299.436	2.631	70	20	CFID	
CCCC1(CNC(=O)NCc2ccc(OC)nc2)CCC1	159655839	ZUNPKJSNEMZKSW-UHFFFAOYSA-N	291.395	2.860	70	20	CFID	
Cc1cccc(C)c1CCNC(=O)NCCc1cccnc1	159486641	FFLATFMUJVOHAZ-UHFFFAOYSA-N	297.402	2.783	70	20	CFID	
CC(C)(C)c1nsc(NC[C@@H](O)C(C)(C)C)n1	159450358	GJRRASUZNUIPMI-MRVPVSSYSA-N	257.403	2.655	70	20	CFID	
C[C@H](O)CN(CCCN1CCCCC1)C1CCCCC1	160927935	OUMIKXSFZPNESJ-INIZCTEOSA-N	282.472	2.878	70	20	CFID	
COC[C@H](NC[C@H](C)N(C)Cc1ccccc1)C(C)C	160882540	QJSAVUFUPCJMRU-RDJZCZTQSA-N	278.440	2.768	70	20	CFID	
C[C@@H](c1cccnc1)N(C)CCCN1CCCCC1	161460527	ZFVHJMMUQGOIDB-HNNXBMFYSA-N	261.413	2.950	70	20	CFID	
Cc1ccc(NC(=O)CCC2CC2)cc1S(=O)(=O)F	857675314	JIRFSMNYDVASSQ-UHFFFAOYSA-N	285.340	2.782	70	20	CFID	
COC(=O)c1occc1CN[C@@H]1CCC[C@@H](C)[C@@H]1C	217795905	XIVDECVQWQOJJQ-NTZNESFSSA-N	265.353	2.981	70	20	CFID	
C[C@@H](C(=O)N(C)Cc1cccn1C)c1cccs1	161003775	PYLADGVAYRMGRU-LLVKDONJSA-N	262.378	2.849	70	20	CFID	
CC1(C)C[C@@H](NC(=O)NCCc2ccccc2F)CCO1	161062822	HTFFGZHBYCXQIL-ZDUSSCGKSA-N	294.370	2.625	70	20	CFID	
Cc1ccc(OCCNC2CCC3(CC2)OCCO3)cc1	161248635	HUOIKWBAEXNJLJ-UHFFFAOYSA-N	291.391	2.649	70	20	CFID	
CCCCOc1ncccc1CNC(=O)[C@@H]1CC1(C)C	161314765	NZCKNUDWOCSJAG-ZDUSSCGKSA-N	276.380	2.923	70	20	CFID	
CCOC[C@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1	160594958	KZOQVTCVCIOPJD-GJZGRUSLSA-N	290.407	2.850	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2ccc(C)cc2[nH]1	160621133	GBMJHTNAHOUNQM-LLVKDONJSA-N	288.347	2.548	70	20	CFID	
CC[C@H](NC(=O)CC1(N)CCC1)c1cc(F)ccc1F	160659637	GWIPRJXWWNJMNI-ZDUSSCGKSA-N	282.334	2.804	70	20	CFID	
CC[C@@H](NCCNC(=O)C(C)C)c1ccc(F)cc1F	160661008	GNWBFEMKJUPVLC-CQSZACIVSA-N	284.350	2.778	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)[C@@H]1SCCc2sccc21	160703911	ZLRZKFYQRAEQEB-DGCLKSJQSA-N	299.461	2.602	70	20	CFID	
COCC(C)(C)C(=O)N(C)CCOc1cccc(C)c1	160833492	DNJCGTSXSUWNGD-UHFFFAOYSA-N	279.380	2.505	70	20	CFID	
O=C(NC[C@H](O)c1ccsc1)NC1CCCCCC1	160863530	BQFOUOKCRZZFGE-ZDUSSCGKSA-N	282.409	2.804	70	20	CFID	
CC(C)(C)c1cnc(CSCCN2CCOCC2)o1	159823607	UEHQHCJTEGZVRQ-UHFFFAOYSA-N	284.425	2.538	70	20	CFID	
Fc1cc2ncnc(N3CCOC[C@H]3C3CC3)c2cc1F	159652172	PLYBALSCIIRPSH-AWEZNQCLSA-N	291.301	2.523	70	20	CFID	
CCN1CCCN(C(=O)N[C@H](C)CCC(C)(C)C)CC1	159883651	REANZWQRRAAEQT-CQSZACIVSA-N	283.460	2.938	70	20	CFID	
C[C@H]1CCC[C@@H](NC(=O)CCCc2nc(C3CC3)no2)C1	159539473	HCYIPGYHPZDHPN-WCQYABFASA-N	291.395	2.965	70	20	CFID	
Cc1nn(C)c(Cl)c1/C=C/C(=O)NCC1(C2CC2)CC1	159967311	QAFTUQQUXPLDBM-AATRIKPKSA-N	293.798	2.702	70	20	CFID	
Cc1[nH]ccc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159779249	XAPDPXGQZYAYFS-LBPRGKRZSA-N	262.353	2.545	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(C(C)=O)cs1	160189796	WUBXHHUPRZSZBX-UFBFGSQYSA-N	252.339	2.720	70	20	CFID	
CCCc1cc(O)nc(SCCCCOC)n1	217190275	YCPJLERNVXKNQR-UHFFFAOYSA-N	256.371	2.653	70	20	CFID	
CCC(CC)NC(=O)NCCc1cccc(F)c1	217305030	OFVJBKLBUPPPER-UHFFFAOYSA-N	252.333	2.856	70	20	CFID	
O=S(=O)(Cl)c1ccc(Cl)c(O)c1Cl	238852455	GENLLSAVTRPEQY-UHFFFAOYSA-N	261.513	2.627	70	20	CFID	
c1ccc2oc(C3CCN(Cc4cc[nH]n4)CC3)nc2c1	161070078	HZZOKYONTFPAJC-UHFFFAOYSA-N	282.347	2.931	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)N1CCC(C)CC1	161093645	AIFOLIZCYXJZPS-HNNXBMFYSA-N	289.423	2.551	70	20	CFID	
Cc1cc(NC(=O)[C@H]2CCn3ccnc3C2)ccc1F	161379879	LEPFKFJUVMLDKL-NSHDSACASA-N	273.311	2.532	70	20	CFID	
Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1	161423454	VRYYGUMHKZWUBZ-UHFFFAOYSA-N	252.277	2.519	70	20	CFID	
O=C(NCC1(CO)CCCC1)C1C2CC3CC(C2)CC1C3	160266649	WTLSYNZGPNNCQY-UHFFFAOYSA-N	291.435	2.728	70	20	CFID	
CC[C@H](C(=O)NOCc1cccnc1)c1ccccc1	160792848	ZKLGBRZKZIVDGK-HNNXBMFYSA-N	270.332	2.823	70	20	CFID	
C[C@H]1C[C@H](NC[C@@H](C)N(C)Cc2ccccc2)CCN1C	160853813	HIRSDHJIBOWGSQ-LZLYRXPVSA-N	289.467	2.579	70	20	CFID	
CO[C@H](C)c1nc(Cn2cnc(C(C)C)cc2=O)cs1	160854078	RFAICPMWRJSELB-SNVBAGLBSA-N	293.392	2.579	70	20	CFID	
CCCCN(C)C(=O)C1CCN(CCSCC)CC1	159410133	BNCQCCNOKBIOOZ-UHFFFAOYSA-N	286.485	2.710	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)c2cnc3c(c2)ncn3C)[C@@H]1C	159645603	QINQYOQUFFGASS-WZRBSPASSA-N	286.379	2.523	70	20	CFID	
C[C@H](O)CN(C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1	159528624	MEFJTAVOLHTCIH-UWVGGRQHSA-N	295.770	2.764	70	20	CFID	
CC[C@H]1CO[C@H](C)CN1C[C@@H](O)c1cc2ccccc2o1	216972076	RSZWYTFDHSCRNK-VHDGCEQUSA-N	289.375	2.966	70	20	CFID	
CC(C)N(C(=O)c1ccc(S(=O)(=O)F)cc1)C(C)C	888810143	SPBGLTLWQPZYJX-UHFFFAOYSA-N	287.356	2.604	70	20	CFID	
C[C@@H](NC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1	161120273	MZRQLHQBOZPTGQ-TZMCWYRMSA-N	278.396	2.844	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1	161129517	BLUWUJLYKSFTQZ-SJORKVTESA-N	282.387	2.768	70	20	CFID	
CC(C)(C)[C@H](CCO)NC(=O)NCCCc1ccccc1	161158666	ZZIABGVLRRKCSS-HNNXBMFYSA-N	292.423	2.716	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)on1	161247114	WKWQETOYGICPNT-SECBINFHSA-N	290.294	2.513	70	20	CFID	
CCOC(=O)CN(CC(C)C)C(=O)c1cccc(C)c1F	161456339	HGUWWWAHKGLBGD-UHFFFAOYSA-N	295.354	2.795	70	20	CFID	
CCSCc1cccc(NC(=O)[C@H]2CSCN2)c1	161479589	ZHTSPYBGSICQSJ-GFCCVEGCSA-N	282.434	2.541	70	20	CFID	
COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)cc1	160344050	HSUHLONUPJUDEC-UHFFFAOYSA-N	298.302	2.634	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1ccccc1C(=O)OC	160409544	YHYYLLIEGDNROA-WBMJQRKESA-N	275.348	2.872	70	20	CFID	
Cc1nccn1-c1ccc([C@H](C)NCC(C)(C)O)cc1	160621903	YFSYMZXKGZDVJS-LBPRGKRZSA-N	273.380	2.602	70	20	CFID	
CN(C(=O)CSC(F)(F)F)c1ccc2c(c1)OCO2	160625091	WIRCIKPDSMPSMJ-UHFFFAOYSA-N	293.266	2.631	70	20	CFID	
CC[C@H](C(=O)Nc1c[nH]c(=O)c(C)c1)c1ccccc1	159620265	AOUWEXZQRPTGMK-AWEZNQCLSA-N	270.332	2.816	70	20	CFID	
Cc1nccc(NC(=O)N2CCO[C@@H](C)[C@H]2C)c1Cl	159948476	ZPACCBPDHJDFHA-ZJUUUORDSA-N	283.759	2.685	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CCOCC(F)(F)F	159562485	OMDSBCBTEALFEW-NXEZZACHSA-N	267.291	2.650	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)[C@H]2CCOC2)C1	159579667	IYYWQECHSJPSNO-NEPJUHHUSA-N	277.389	2.798	70	20	CFID	
CCN(CCNC(=O)[C@@H]1CCCCO1)c1cccc(C)c1	159998633	FODGYLGHINHRRD-INIZCTEOSA-N	290.407	2.507	70	20	CFID	
CC(C)c1nnc(CN(C)OCc2ccccc2)o1	159639239	AXSGGAVLSITQMO-UHFFFAOYSA-N	261.325	2.757	70	20	CFID	
CC(C)[C@@H](O)CNCc1ccc(F)c(C(F)(F)F)c1	160150364	OBRZMJJBROKKQH-LBPRGKRZSA-N	279.277	2.951	70	20	CFID	
Cc1ccc(C(=O)Cn2cnc(C(C)C)cc2=O)s1	160725145	NEUJIWRWHRKBHG-UHFFFAOYSA-N	276.361	2.620	70	20	CFID	
CC[C@@H](C)NC(=O)NCCCOc1ccc(C)cc1	217297716	ANGPASGHAPXFEP-CYBMUJFWSA-N	264.369	2.862	70	20	CFID	
Nc1ccnc(-c2cc(Br)ccc2F)n1	161434282	QTYJCRRXMBPTEH-UHFFFAOYSA-N	268.089	2.627	70	20	CFID	
CC[C@@H](COC)NC[C@H](C1CCCCC1)N(C)C	160418600	AESASXQHYYRRCG-LSDHHAIUSA-N	256.434	2.512	70	20	CFID	
C[C@H]1CC[C@@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349532550	LTMVMMQEYPUGDS-WDEREUQCSA-N	299.367	2.511	70	20	CFID	
CCCCOc1cccc(NC(=O)C[C@H]2COC(=O)C2)c1	161068073	PTHMGAHSXMPIAC-GFCCVEGCSA-N	291.347	2.757	70	20	CFID	
CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CO)CC(C)C	161191625	WGIVUFUDNHQAHK-ZBFHGGJFSA-N	293.407	2.676	70	20	CFID	
COc1ccc(N(C)C(=O)c2cn(C)nc2C)cc1Cl	160028786	KOENQCMMUCLBKI-UHFFFAOYSA-N	293.754	2.667	70	20	CFID	
CC(C)[C@H](C(=O)N[C@H]1CCCc2sccc21)N(C)C	160265245	LEVGHOCHFRXUQY-GXTWGEPZSA-N	280.437	2.828	70	20	CFID	
O=C(NCC(F)(F)F)Nc1cccc(F)c1F	160379968	LLYGNJXBCRGGKB-UHFFFAOYSA-N	254.158	2.649	70	20	CFID	
CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](NC)C3)o2)cc1	160684516	FFVWOSOPVBWAGI-OAHLLOKOSA-N	298.386	2.943	70	20	CFID	
CCC(CC)(CNCc1cccc(F)c1)C(=O)OC	159657385	AIGCIRFYVGKOPE-UHFFFAOYSA-N	267.344	2.895	70	20	CFID	
CC(C)CCNC(=O)N1CCC(CCCN(C)C)CC1	159658425	BHHLHXPMOXQMSY-UHFFFAOYSA-N	283.460	2.796	70	20	CFID	
CCc1nnsc1C(=O)N(C)c1ccc(OC)c(F)c1	159553644	KPXQWNRZQMJLJD-UHFFFAOYSA-N	295.339	2.525	70	20	CFID	
Cc1ccc2c(c1)OCCN2C(=O)c1ccnn1C(C)C	159950268	CARPHXROIXGMIE-UHFFFAOYSA-N	285.347	2.812	70	20	CFID	
COc1ccc(N(C)C(=O)CCC2CC2)cc1F	159378863	QWXNZIDCQAQUSU-UHFFFAOYSA-N	251.301	2.987	70	20	CFID	
CC/C=C(/C)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159588327	HHQSKMXILUJWKE-UITAMQMPSA-N	288.269	2.705	70	20	CFID	
CC1CCN([C@@H](C)CNC(=O)NCC2(C3CC3)CC2)CC1	159785472	DQYRZUJWSABOQY-AWEZNQCLSA-N	293.455	2.596	70	20	CFID	
Cc1ccc(S(=O)(=O)CCc2c(C)noc2C)cc1	159987404	DXBZXSJJWGOLTP-UHFFFAOYSA-N	279.361	2.616	70	20	CFID	
CCCS(=O)(=O)NCc1ccc(Cl)cc1OCC	159995799	RGVJUGRKMUWICU-UHFFFAOYSA-N	291.800	2.568	70	20	CFID	
CC(C)N1CC[C@H](N[C@@H](C)c2cccc(F)c2F)C1=O	159443011	DJFISYJOFBCHET-GWCFXTLKSA-N	282.334	2.625	70	20	CFID	
CN(C(=O)c1ccc2ccccc2c1)[C@H](CN)C1CC1	159893119	OIOKPNUSTREVML-MRXNPFEDSA-N	268.360	2.649	70	20	CFID	
CNCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	160236037	HCSHYFHZSHUFJW-RBSFLKMASA-N	266.429	2.661	70	20	CFID	
Cc1cc(=O)c(C(=O)N[C@H]2CCCc3sccc32)c[nH]1	160303334	LXILZGJCQULXSZ-LBPRGKRZSA-N	288.372	2.552	70	20	CFID	
CCNc1nc(C(=O)N2[C@@H](C)CC[C@H]2C)cs1	160406483	UPLONRUQIGUCOM-DTORHVGOSA-N	253.371	2.588	70	20	CFID	
C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CCO)C(C)(C)C	161177811	NLADPDUGOJVGQE-UPJWGTAASA-N	270.417	2.661	70	20	CFID	
CN(Cc1ccc(Cl)c(Cl)c1)Cc1nncn1C	160691337	PSKGHFIGFBYSSC-UHFFFAOYSA-N	285.178	2.754	70	20	CFID	
CN(CCC(F)(F)F)C(=O)NCc1ccccc1	218049468	HCBMWJDBCPSURO-UHFFFAOYSA-N	260.259	2.780	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H]2C[C@H]2C)c1C	160147343	WPSRJRLZRKCLHR-KOLCDFICSA-N	250.346	2.522	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@H](N)Cc2ccccc2)cc1	161169364	WGDSCPBOEDAWAX-MAUKXSAKSA-N	296.414	2.785	70	20	CFID	
CC(=O)NC1CCC(N[C@H]2CCCc3occc32)CC1	161277238	VOCKGSIZDOMQGA-PIMMBPRGSA-N	276.380	2.694	70	20	CFID	
Cc1c(C(=O)N2CCCC2(C)C)cnn1C1CCOCC1	161324133	ZFWJYGMTXBRTGY-UHFFFAOYSA-N	291.395	2.558	70	20	CFID	
CC(C)Cc1noc(Cn2nc(C3CC3)nc2C2CC2)n1	161443419	AACHTOYQIGNBPQ-UHFFFAOYSA-N	287.367	2.663	70	20	CFID	
Cc1cc(CCCC(=O)NCC(C)(C)N)c(C)s1	160122356	BPFJGTHPZPJTGQ-UHFFFAOYSA-N	268.426	2.541	70	20	CFID	
COCCC1(C(=O)N[C@@H]2CCc3ccccc32)CCC1	160264626	LSVLYGJTQDEIMO-OAHLLOKOSA-N	273.376	2.997	70	20	CFID	
c1ccc2nc(N[C@@H]3CCO[C@H](C4CC4)C3)cnc2c1	160413979	XBBBRKSDRVSFOJ-DOMZBBRYSA-N	269.348	2.999	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCS1	160652114	CEQXXGCMKOYKRC-OLZOCXBDSA-N	283.437	2.880	70	20	CFID	
C[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)[C@@H]1c1ccccc1	160761521	XXQCHRLYKRGMLH-DOMZBBRYSA-N	297.358	2.610	70	20	CFID	
CCN1CCCN(C(=O)NCCC2CCCCC2)CC1	159649523	WPIKZEFQMJVRLR-UHFFFAOYSA-N	281.444	2.694	70	20	CFID	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[C@@H]2N)C1	159881293	VEUFTBSOTSCNEU-SRABZTEZSA-N	286.419	2.827	70	20	CFID	
COC[C@@H](NC(=O)Nc1ccc(OC)cc1C)C1CC1	159906621	IFFANAQUZVMTQU-CQSZACIVSA-N	278.352	2.550	70	20	CFID	
Cc1nccc(NC(=O)NCCOC(C)C)c1Cl	159559320	KTJBBDWXOZFUCS-UHFFFAOYSA-N	271.748	2.590	70	20	CFID	
CCCN(C)Cc1nc(Cc2ccc(F)cc2)no1	159778725	NQCIQUBBQYGWBY-UHFFFAOYSA-N	263.316	2.641	70	20	CFID	
CCSCC[C@@H](C)NC(=O)c1cccc2c1CCNC2	160217349	JVXSQZWQVJQFIJ-GFCCVEGCSA-N	292.448	2.594	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1	160966869	SWUQHLTVTBPNKV-NXEZZACHSA-N	287.190	2.993	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)c1csc2c1CC[C@H](C)C2	161329338	OZUOPMRWQZVISI-RYUDHWBXSA-N	292.448	2.697	70	20	CFID	
COC(=O)c1occc1CN(C)OCc1ccccc1	159610981	ZYNZXYJTAGBZEK-UHFFFAOYSA-N	275.304	2.630	70	20	CFID	
CC[C@H](COC)NC[C@H](C)COCc1ccccc1	161310779	OBMARFSISPPUMQ-GOEBONIOSA-N	265.397	2.854	70	20	CFID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NC1CC=CC1	161116225	WPNOSBSJEWVAFE-OAHLLOKOSA-N	288.347	2.694	70	20	CFID	
CCC[C@@H](N)C(=O)NC(C)(C)c1cccc(Cl)c1	161163286	FDWXRNFVLSCNQL-GFCCVEGCSA-N	268.788	2.819	70	20	CFID	
Cc1ccc2cc(C(=O)NO[C@H]3CCCCO3)ccc2n1	161204210	YCJWMYWRNFNGHO-HNNXBMFYSA-N	286.331	2.731	70	20	CFID	
CC[C@H](C(=O)NC1CCC(C(C)C)CC1)N(C)C	161244265	HURQDOFMEORGFN-JXQTWKCFSA-N	254.418	2.658	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cnn(Cc2ccccc2)c1	160005729	PNENNJXAFLLEPX-UHFFFAOYSA-N	295.386	2.851	70	20	CFID	
C[C@@H]1CCCCN1C(=O)COc1ccc2[nH]ccc2c1	160029024	PYKLQFCTYWJVCH-GFCCVEGCSA-N	272.348	2.948	70	20	CFID	
COCC(C)(C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160151955	XWWIGKICSFKAHT-CYBMUJFWSA-N	283.412	2.657	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C	160293563	PBKJIVUFGDIZCF-XJKSGUPXSA-N	291.391	2.884	70	20	CFID	
CCCN1CCCN(C(=O)c2cc(C)c(C)s2)CC1	160401242	JLXQMFAGWDDRCI-UHFFFAOYSA-N	280.437	2.923	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)CC(=O)N(C)C	160901233	LNBBCHMTMPLEQT-UHFFFAOYSA-N	280.393	2.604	70	20	CFID	
Cc1cc(Cl)ncc1NC(=O)N[C@@H](CO)CC(C)(C)C	159481163	TZGYCBOTPDZBIS-SNVBAGLBSA-N	299.802	2.962	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCc2ccccc2C1	159680601	BFSGGJVLLIUYFG-WMZOPIPTSA-N	298.430	2.836	70	20	CFID	
C[C@@H]1CCC[C@H](N(C)C(=O)CNC(=O)CC2CCCC2)C1	159909769	WEWBNLZCLXPRLW-HIFRSBDPSA-N	294.439	2.720	70	20	CFID	
O=C(Nc1cc(Cl)ccc1F)[C@H]1CCCCO1	159957414	ORAOMSDOCHTWJO-LLVKDONJSA-N	257.692	2.987	70	20	CFID	
CCC[C@H](O)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	159392578	HUMLNSPRJKKMDY-GJZGRUSLSA-N	293.407	2.820	70	20	CFID	
Cc1csc(=O)n1Cc1noc(C2CCCCC2)n1	159780342	UWZCKNMECSNAHQ-UHFFFAOYSA-N	279.365	2.697	70	20	CFID	
CC(C)(C)c1csc(NC(=O)[C@@H]2CCCCO2)n1	159783920	MVXQZMXCPWPNDN-VIFPVBQESA-N	268.382	2.948	70	20	CFID	
Cc1cc(CN(C)[C@H](CN)C2CC2)c2ccccc2n1	159666879	HNCMJSCHFOVCGJ-QGZVFWFLSA-N	269.392	2.712	70	20	CFID	
Cc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCCC2)c(C)c1	159728875	GREHKWPMUCTKOT-GJZGRUSLSA-N	274.408	2.965	70	20	CFID	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)(C)N	159953900	FXFJMTIVTSWSGQ-SECBINFHSA-N	286.828	2.674	70	20	CFID	
CC[C@H](CCO)NC(=O)Cc1coc2cc(C)ccc12	160059114	ROVDOJTTWOUVPB-CYBMUJFWSA-N	275.348	2.561	70	20	CFID	
O=S(=O)(Cl)CCCCOC1CCCCC1	114257615	FKZFYIDWGPMGNT-UHFFFAOYSA-N	254.779	2.685	70	20	CFID	
Clc1cc(N[C@@H]2CCSC2)nc(C2CC2)n1	218046007	WWUBKAPXNAOGJK-MRVPVSSYSA-N	255.774	2.925	70	20	CFID	
CC[C@](C)(O)CN1CC[C@H](Cc2ccc(F)cc2)C1	161174502	VSVAFZNRDBZCPI-ZBFHGGJFSA-N	265.372	2.851	70	20	CFID	
CC(C)CC1(C(=O)N[C@@H]2CCC[C@H](N)C2)CCC1	161248729	RQADTXRZNWEWAZ-QWHCGFSZSA-N	252.402	2.589	70	20	CFID	
CSCC[C@@H](C)N(C)c1cc(C(C)=O)ccn1	161417989	UGWQEOVLUPGWDF-SNVBAGLBSA-N	252.383	2.862	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)CC(F)(F)F)n1	161281234	XJDGQVLCYDUZDZ-UHFFFAOYSA-N	298.268	2.925	70	20	CFID	
Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)CC2CCCC2)n[nH]1	161293116	OWPUFFCHURSUOF-NWDGAFQWSA-N	277.412	2.982	70	20	CFID	
CCO[C@@H](C)c1nccn1CC(=O)N(C)[C@@H](C)CC(C)C	161511122	WFHZAFQXFQVHBC-KBPBESRZSA-N	295.427	2.874	70	20	CFID	
Cc1nccn1CCCN(C)C(=O)Nc1ccsc1	160077375	LZBPOYQJQSHUHE-UHFFFAOYSA-N	278.381	2.807	70	20	CFID	
CCCc1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)[nH]n1	160096521	ZJTFPFAQSKABOY-ZDUSSCGKSA-N	291.395	2.584	70	20	CFID	
O=C(CCOc1ccccc1F)NCC1(C2CC2)CC1	160155861	FBPDFKGWTVHJLV-UHFFFAOYSA-N	277.339	2.901	70	20	CFID	
CCN(CCC(=O)OC)C(=O)c1ccc(F)c(SC)c1	160180271	ZCBGMFAUISVPGN-UHFFFAOYSA-N	299.367	2.573	70	20	CFID	
Cc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)c(C)c1	160211620	NLPXBPPNUOUHSK-UHFFFAOYSA-N	279.405	2.772	70	20	CFID	
CCCCNC(=O)N1CC=C(C(F)(F)F)CC1	160240940	UWKJZOIPZJPWJP-UHFFFAOYSA-N	250.264	2.691	70	20	CFID	
CC(C)NC(=O)CN[C@H]1c2cccc(F)c2CC[C@@H]1C	160914880	FCUCKEVGLNOIOF-MEDUHNTESA-N	278.371	2.563	70	20	CFID	
Cc1cccc(C)c1CCNC(=O)N[C@@H](C)[C@@H]1CCCO1	159801690	LDBCLBPHXGCFIB-HOCLYGCPSA-N	290.407	2.713	70	20	CFID	
CCC[C@@H](CCO)CNC(=O)C[C@H](C)c1c(C)noc1C	159639219	HFHQTTCNIYWOFM-FZMZJTMJSA-N	296.411	2.700	70	20	CFID	
CCC[C@@](C)(O)C(=O)N[C@H]1CCOC2(CCCCC2)C1	159694888	RZJICLMUWMIUJO-DZGCQCFKSA-N	283.412	2.536	70	20	CFID	
CC(C)C[C@H](C)OCCC(=O)N1CCC[C@H]1C(C)(C)O	159934893	VUNCIQKSSGQVKH-KBPBESRZSA-N	285.428	2.590	70	20	CFID	
C[C@H]1CO[C@H](C)CN1C(=O)c1cc(F)cc2cccnc12	159751028	VDRPBJZXSAOGGM-WDEREUQCSA-N	288.322	2.623	70	20	CFID	
Cc1cnc(NCCc2cccc3cccnc23)nc1	159472708	BWWAIDNVIHSVAK-UHFFFAOYSA-N	264.332	2.988	70	20	CFID	
CC[C@@]1(C(=O)N[C@H](C)C2CCCCCC2)CCNC1	160664775	GLAYFAOWCUZSOM-CZUORRHYSA-N	266.429	2.851	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ccccc1F	161045159	UMYMEGOOVXWAGI-GOSISDBHSA-N	267.325	2.992	70	20	CFID	
CCCCc1ccc([C@H](C)N[C@@H](C)CC(N)=O)cc1	161359268	JRHKFPYIDJDOMM-STQMWFEESA-N	262.397	2.944	70	20	CFID	
CC[C@@H](O)c1ccc(OCc2nnc3n2CCCC3)cc1	217320144	OQGISJIAWSNUEB-CQSZACIVSA-N	287.363	2.637	70	20	CFID	
CC[C@H](COc1ccccc1)CS(=O)(=O)Cl	114472439	HQZHAMAVHBUSFS-SNVBAGLBSA-N	262.758	2.660	70	20	CFID	
C[C@@H]1CCC(C)(C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1338067561	IGEUHJQRVBJNCS-SNVBAGLBSA-N	299.367	2.748	70	20	CFID	
Fc1cc(F)c(NCc2nnc3n2CCCC3)c(F)c1	217319398	METYSBCMAMTVNG-UHFFFAOYSA-N	282.269	2.644	70	20	CFID	
C[C@H](NC(=O)C(C)(C)C1CCCC1)C(=O)NC(C)(C)C	161077095	HLYOLYKTUUUXMV-NSHDSACASA-N	282.428	2.622	70	20	CFID	
CC[C@@H](NC(=O)C[C@H]1COC(=O)C1)c1ccc(Cl)cc1	161099634	DKGGDIHHHKSOOK-ZWNOBZJWSA-N	295.766	2.861	70	20	CFID	
CC1(C)CCC(C(=O)NCc2ccc(O)nc2)CC1	161116695	CVJHHUOBONUUMV-UHFFFAOYSA-N	262.353	2.620	70	20	CFID	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1N	161417599	JZSXRUXOLWWOGM-XZDPQHSOSA-N	272.392	2.518	70	20	CFID	
CC[C@H]1CCCC[C@H]1NC[C@H](O)CN1CCC(C)CC1	161424081	CLNQCFCPXZOYGL-YESZJQIVSA-N	282.472	2.638	70	20	CFID	
CCNC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1	160083212	NJKKPOZYQNFFEJ-UHFFFAOYSA-N	290.451	2.659	70	20	CFID	
CC(C)NC(=O)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	160279348	NZECOHVHLLRUPR-RBSFLKMASA-N	294.439	2.576	70	20	CFID	
C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160502329	RZCWAPVSSBTWJD-RISCZKNCSA-N	299.378	2.792	70	20	CFID	
C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccn(C)n1	160764787	CRMKAYMCYFYFAR-SNVBAGLBSA-N	277.755	2.891	70	20	CFID	
O=C(CCSc1ccccn1)NCC1(C2CC2)CC1	159638036	FEIRGGGVGXQVAE-UHFFFAOYSA-N	276.405	2.870	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc(C(C)C)n(C)n1	159832302	DDVJOMGOIMDYFO-NWDGAFQWSA-N	263.385	2.852	70	20	CFID	
CC(C)n1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H](C)C2)cn1	159678338	OMUSNSMJJVRJLU-QWHCGFSZSA-N	299.440	2.521	70	20	CFID	
COc1ccc(C(=O)N2CCCC3(CCCCC3)C2)nn1	159881452	FKDXQKMUPRNRPG-UHFFFAOYSA-N	289.379	2.672	70	20	CFID	
CC[C@H](C(=O)Nc1ccnn1C)c1ccc(F)cc1	159590866	LVTUCEWJCDWMEL-LBPRGKRZSA-N	261.300	2.692	70	20	CFID	
Cc1ccc([C@@H](C)NCCCN2CCCC2=O)cc1	159575539	UBHJYEJICLXYNS-CQSZACIVSA-N	260.381	2.658	70	20	CFID	
NC1(CNC(=O)Cc2c(F)cccc2Cl)CCCCC1	159756933	BAZQMSJVSOABMZ-UHFFFAOYSA-N	298.789	2.799	70	20	CFID	
Cc1nn(C)cc1CN[C@H]1CCc2cc(F)ccc21	160144254	OLYNUMCWBBLJFC-HNNXBMFYSA-N	259.328	2.645	70	20	CFID	
COC[C@H](NC[C@@H](C)N(C)Cc1ccccc1)C(C)C	160882278	QJSAVUFUPCJMRU-WBVHZDCISA-N	278.440	2.768	70	20	CFID	
CCCN(CC)CCN[C@@H]1CCCc2cccnc21	217704276	DSFAAUMADCDQRL-OAHLLOKOSA-N	261.413	2.781	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N(CC)CC(C)C	159810611	DCUAPEFBCBDPJV-UHFFFAOYSA-N	271.792	2.754	70	20	CFID	
O=C(NCCCSc1ccncc1)C1CCCC1	159891171	PPNWJLYLSKINGZ-UHFFFAOYSA-N	264.394	2.870	70	20	CFID	
Cn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)n1	161118401	PCLYYCAUVLDTJY-UHFFFAOYSA-N	299.421	2.580	70	20	CFID	
CC(=O)NC1CCC(Nc2cc(C)cc(F)c2)CC1	161133829	NOMFTPGZFIQADF-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
C[C@H]1CCCN(C(=O)CN(C)c2ccccc2F)C1	161152251	UDAVQCUGTZANJZ-LBPRGKRZSA-N	264.344	2.520	70	20	CFID	
CCCN(CCO)Cc1ccc(OC)c(OC(F)F)c1	161216148	LPRCYVLKXJLOFQ-UHFFFAOYSA-N	289.322	2.501	70	20	CFID	
CC[C@@H](C(=O)NC1CCC(C(C)C)CC1)N(C)C	161244152	HURQDOFMEORGFN-RUXDESIVSA-N	254.418	2.658	70	20	CFID	
CC(C)NCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C	161245721	SGMCAOYZKNDUMN-DZGCQCFKSA-N	292.398	2.918	70	20	CFID	
CCC(CC)c1cc(C(=O)Nc2nc(C)no2)on1	161245872	BIFZKPHSZAKUTG-UHFFFAOYSA-N	264.285	2.522	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cnn(C)c1	161320170	QLHJCGOEFANFLN-GHMZBOCLSA-N	261.350	2.532	70	20	CFID	
Cc1ccnc(NC[C@@](C)(O)c2ccccc2Cl)n1	160151651	XNDGBNJUZFNFHB-CQSZACIVSA-N	277.755	2.758	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)[C@H]1CCCCO1	160160493	FEPUHYMSLGZTEH-NWDGAFQWSA-N	265.378	2.811	70	20	CFID	
CNC(=O)c1ccc(NC(=O)[C@@H]2CCCS2)c(Cl)c1	160345397	FWVMCACNYUGPNL-NSHDSACASA-N	298.795	2.534	70	20	CFID	
CCC[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1	159811668	HZOMLMNITPCLER-OCCSQVGLSA-N	280.799	2.783	70	20	CFID	
COc1ccc(N(C)C(=O)CC(F)(F)F)cc1F	159463720	NTLGNLQNHRBXHU-UHFFFAOYSA-N	265.206	2.750	70	20	CFID	
COCCCCC(=O)N[C@@H]1CCc2c(OC)cccc21	159894824	VPTCCZDMUKVLOW-CQSZACIVSA-N	277.364	2.615	70	20	CFID	
CCc1ccc([C@H](C)NCc2n[nH]c(CC)n2)cc1	160267310	SWEAHPQXLJTKJG-NSHDSACASA-N	258.369	2.780	70	20	CFID	
Cc1cc2ncn(CCn3ccccc3=O)c2cc1C	161420953	HCYKCTVODPTOCB-UHFFFAOYSA-N	267.332	2.515	70	20	CFID	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1)c1ccccc1	864238234	HGSOOSKJIIPNDH-UHFFFAOYSA-N	293.319	2.621	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1C[C@H]2CC[C@H]1C2	769658834	AKDGHYGSGBKVIP-KWBADKCTSA-N	297.351	2.720	70	20	CFID	
C[C@H]1CCC(C)(C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864243980	HITZPHNSQFFNBU-JTQLQIEISA-N	299.367	2.748	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@H]1CCCN1	161107730	RQNYFCTXPRRQSX-CVEARBPZSA-N	274.408	2.608	70	20	CFID	
O=C(C1CC1)N1CC[C@H](Oc2ccccc2Cl)C1	161419478	AMEUGKYXBWVIGT-NSHDSACASA-N	265.740	2.730	70	20	CFID	
CCOCCC1(CNC(=O)NC[C@@H]2CC=CCC2)CC1	161434412	SZIQNQIZJYBCLX-CQSZACIVSA-N	280.412	2.849	70	20	CFID	
Cc1cc(C(=O)N2CCc3c(Cl)cccc32)n(C)n1	161461677	SSNWPQNUBBNLJU-UHFFFAOYSA-N	275.739	2.585	70	20	CFID	
CCO[C@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F	160058597	VHTRRJGJBMETCX-PSASIEDQSA-N	277.242	2.653	70	20	CFID	
CCC[C@@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1	160104564	IBZDURDEMMPUNE-NVXWUHKLSA-N	274.408	2.694	70	20	CFID	
CC1(NC(=O)NCCc2cc(F)cc(F)c2)CCC1	160363920	YLKZNOIGXSJRJU-UHFFFAOYSA-N	268.307	2.749	70	20	CFID	
CCOc1ccccc1[C@@H](C)N[C@H](CCO)CSC	160366837	FFVQXURSKBJFTF-CHWSQXEVSA-N	283.437	2.850	70	20	CFID	
CCCC1(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)CC1	160490912	TXUNSGLANCDBNQ-UONOGXRCSA-N	283.412	2.657	70	20	CFID	
CCS(=O)(=O)N1CCCCC[C@@H]1c1ccc(C)o1	160632212	HILFZMQVWNHVHK-GFCCVEGCSA-N	271.382	2.855	70	20	CFID	
Cc1ccc(CC(=O)N2CCc3c(F)cccc3C2)cn1	160832169	ZDZRCJIYNHHYDT-UHFFFAOYSA-N	284.334	2.657	70	20	CFID	
C[C@H]1CN(Cc2cnc3ccccn23)C[C@@H](C)S1	160814660	XHRXGPQSFMRVHM-TXEJJXNPSA-N	261.394	2.660	70	20	CFID	
CC(C)n1cc(NC(=O)N(C)CCC2CC2)cn1	159481283	ZEQASGQDOOJSHH-UHFFFAOYSA-N	250.346	2.728	70	20	CFID	
CCCOCC(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1	159516347	BENFROBPNXZRJO-UHFFFAOYSA-N	289.335	2.876	70	20	CFID	
CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)SC)cc1	159985857	MRBDPSYDGKYWJY-SNVBAGLBSA-N	296.392	2.736	70	20	CFID	
CCN(CCCO)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	160501250	WJWGAOANLHFJRT-QWRGUYRKSA-N	281.318	2.586	70	20	CFID	
O=C(Nc1nccs1)c1csc([C@@H]2CCCO2)n1	160659962	ZUMLVVFHLBNTES-QMMMGPOBSA-N	281.362	2.703	70	20	CFID	
CCOCCCNC(=S)NCC(C)(C)C(C)C	218745451	KFOLAMBIRSUNIU-UHFFFAOYSA-N	260.447	2.559	70	20	CFID	
CCNCC1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1	161095745	RILQLLWBFDEBCY-UKRRQHHQSA-N	266.429	2.661	70	20	CFID	
CCOc1cc(C)ccc1NC(=O)N[C@]1(C)CCOC1	161372947	HCVOBLSNXMBWLU-OAHLLOKOSA-N	278.352	2.694	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3C)c2C)o1	161405342	IJSKJBUCLUOGAK-OIBJUYFYSA-N	259.309	2.881	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H]2C[C@@H]2C)c1C	160147089	WPSRJRLZRKCLHR-ONGXEEELSA-N	250.346	2.522	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)[C@@H](C)OC	160205644	LHZDASNKBATCIB-WDEREUQCSA-N	252.310	2.643	70	20	CFID	
Nc1nc(N[C@H]2CCO[C@H](C3CC3)C2)nc2ccccc12	160391582	USGURHLWIMYUJM-FZMZJTMJSA-N	284.363	2.582	70	20	CFID	
CCCC(O)(CCC)CC(=O)N(C)Cc1cscn1	160473741	DDQQRHQPIAYUSO-UHFFFAOYSA-N	284.425	2.823	70	20	CFID	
CCCOc1cccc(NC(=O)N[C@@]2(C)CCOC2)c1	160511055	XTGJAPXWERTIRG-HNNXBMFYSA-N	278.352	2.776	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1F	160538449	OXGFOOZEKKPSRX-CYBMUJFWSA-N	296.361	2.815	70	20	CFID	
Cc1nnc(CSc2ccc(C(F)(F)F)cn2)n1C	160996062	UBKNULWYKFPJNL-UHFFFAOYSA-N	288.298	2.830	70	20	CFID	
Cc1nc(CC(=O)OCCCc2ccncc2)c(C)s1	159618413	VNZOYARMVDUBAF-UHFFFAOYSA-N	290.388	2.873	70	20	CFID	
C[C@H](CC1CC1)NC(=O)N1CCC[C@H](N2CCCC2)CC1	159843848	YTGUDDYNTSIBKG-ZBFHGGJFSA-N	293.455	2.835	70	20	CFID	
CC(C)(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)CC1	159463656	KLTFRFYVGYYPJU-CHWSQXEVSA-N	268.401	2.633	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H](C)OCC1CC1	159979978	HVSFOXFOAPATAO-XHDPSFHLSA-N	289.375	2.614	70	20	CFID	
CCOC1CC(Nc2cccc(Cn3cccn3)c2)C1	159432133	OBKMWSBIRFAECD-UHFFFAOYSA-N	271.364	2.911	70	20	CFID	
CCN[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CC	160124424	UMXDXRKUFFAIFP-ZFWWWQNUSA-N	260.381	2.537	70	20	CFID	
Cc1ccc(C(=O)CCN2CCO[C@H](C)[C@@H]2C)cc1	160283320	HPNTXQGRFCHZSP-UONOGXRCSA-N	261.365	2.677	70	20	CFID	
CCC(N)(CC)CNC(=O)COc1ccc(Cl)cc1C	160408979	BHQCSSOSGDQAKV-UHFFFAOYSA-N	298.814	2.661	70	20	CFID	
O=C(NCCCC1CCCC1)NOCc1cccnc1	161085634	UDXPKDHFZLIFLW-UHFFFAOYSA-N	277.368	2.783	70	20	CFID	
Cc1nc(O)ccc1C(=O)N1CC[C@@H]2CCCC[C@@H]21	161086829	ALOMTGDKNYSVJC-AAEUAGOBSA-N	260.337	2.500	70	20	CFID	
C[C@@H](NCc1coc2ccccc12)c1nnc2n1CCC2	161088487	JKWLCABEFOWLOG-LLVKDONJSA-N	282.347	2.821	70	20	CFID	
C[C@@H](CC(=O)N(C)C[C@H]1CCOC1)c1ccc(F)cc1F	161394591	GMWWCGDKAPPLSS-NWDGAFQWSA-N	297.345	2.953	70	20	CFID	
CCN(CC)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160326517	JQCQWUOLYPFHEH-AWEZNQCLSA-N	278.352	2.728	70	20	CFID	
C[C@@H](CN[C@H](C)c1cnccn1)N(C)Cc1ccccc1	160864246	IPVRAQYKWIQQGC-LSDHHAIUSA-N	284.407	2.648	70	20	CFID	
Cc1c(C(=O)N(C)Cc2cccn2C)cnn1C(C)(C)C	160971895	AANXSOSIRQRJDJ-UHFFFAOYSA-N	288.395	2.557	70	20	CFID	
Cc1noc(C)c1C(=O)NC1CCC(OC(C)C)CC1	159412945	MTBCXKHNYDWHEM-UHFFFAOYSA-N	280.368	2.757	70	20	CFID	
CCCC[C@@H](CC)C(=O)Nc1c[nH]c(=O)c(C)c1	159440409	GJHBBRJXWVPCDD-LLVKDONJSA-N	250.342	2.838	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(=O)OC(C)(C)C	159840647	JZSKHBXTGHCRLN-NEPJUHHUSA-N	284.400	2.548	70	20	CFID	
CN1CCC[C@@H](CNC(=O)N2CCC3(CCCC3)CC2)C1	159457577	SNFBKQLMSCBNPL-HNNXBMFYSA-N	293.455	2.694	70	20	CFID	
CC[C@H](COC)NC[C@H](C)N1CCc2sccc2C1	159878683	KMXBVUXRINMWAI-GXTWGEPZSA-N	282.453	2.509	70	20	CFID	
CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C)nc1	159747991	SIEWMBMOVIKIAX-ZDUSSCGKSA-N	291.395	2.804	70	20	CFID	
O=C(Nc1ccc(F)nc1)c1csc([C@H]2CCCO2)n1	159954453	HGIXTQSBTKJSDK-SNVBAGLBSA-N	293.323	2.781	70	20	CFID	
Cc1ccc(CS(=O)(=O)Cl)cc1Br	106942486	BQIIPELJTAGDCU-UHFFFAOYSA-N	283.574	2.826	70	20	CFID	
CCOC1CC(Nc2ccc(N3CCCC3=O)cc2)C1	159370366	YICYVYYPJWYSPX-UHFFFAOYSA-N	274.364	2.793	70	20	CFID	
CSCC[C@@H](C)N(C)C(=O)c1cccc2c1CCNC2	161258718	MAWKTVSWHYRMEB-GFCCVEGCSA-N	292.448	2.546	70	20	CFID	
COC(=O)[C@@H](CC(C)C)NC/C=C\c1ccccc1	218757339	LTJJSKYZZPJVAQ-YYRKOSNBSA-N	261.365	2.877	70	20	CFID	
C[C@H](c1ccc(Cl)cc1)N(C)Cc1nncn1C	160758915	ZKIOEUUULCCMEU-SNVBAGLBSA-N	264.760	2.662	70	20	CFID	
CCC[C@H](CCO)CNC(=O)/C=C/c1ccccc1OC	161160456	QPFRNUAFFBNIAT-ATWMFIQVSA-N	291.391	2.623	70	20	CFID	
NCCCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2	160065428	XBKJLJBNJHYHLP-JZXOWHBKSA-N	286.419	2.501	70	20	CFID	
CCCN(CC(=O)N(C)C)C(=O)C[C@H]1CCCCC1(C)C	160190997	KZZMLIMCTBMMLY-CQSZACIVSA-N	296.455	2.920	70	20	CFID	
C/C=C(\C=C\C(=O)N(CCC(N)=O)c1ccccc1)CC	160358936	YMXUBVMWKMDKEV-HGUUPUHVSA-N	286.375	2.808	70	20	CFID	
CC1(C)C[C@@H](NCc2cccc3cn[nH]c23)CCO1	160591010	MISPUUNLMFTDGS-ZDUSSCGKSA-N	259.353	2.610	70	20	CFID	
CS[C@H](C)CC(=O)Nc1nnc(C(C)C)s1	160757293	ZXMUORPUYLJYRK-SSDOTTSWSA-N	259.400	2.742	70	20	CFID	
O=C(NCc1csc(-c2ccco2)n1)[C@H]1CCCCO1	160870685	UZMKMCZSTBCQCF-LLVKDONJSA-N	292.360	2.588	70	20	CFID	
O=C(C1CCNCC1)N1CC[C@@H](c2ccc(Cl)cc2)C1	159807545	SJHUAHFOBOQLGU-CQSZACIVSA-N	292.810	2.656	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cn1	159828707	PYGJLMIOAYLDOV-AWEZNQCLSA-N	274.364	2.612	70	20	CFID	
CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159436269	VKGLFPZOSJTHKG-WDEREUQCSA-N	284.350	2.871	70	20	CFID	
O=C(NCCO)c1cc(-c2ccccc2)ccc1Cl	159451803	GFUXVALZYHAWRP-UHFFFAOYSA-N	275.735	2.729	70	20	CFID	
CN(C)c1ccccc1NC(=O)NCCc1cscn1	159519126	BRJQUDGDEDGZSO-UHFFFAOYSA-N	290.392	2.573	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CNCC1CC1	159527583	SFYWVOXRYLLPCS-PIGZYNQJSA-N	290.382	2.565	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Cl)cc1C	159554043	PLDMQBWXTRWWCB-SNVBAGLBSA-N	283.755	2.720	70	20	CFID	
C[C@@H](NCc1cccc2cc[nH]c12)c1nnc2n1CCC2	218097498	UJSXEJSXVMXQBM-LLVKDONJSA-N	281.363	2.556	70	20	CFID	
CC(C)[C@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1	160683663	XYNBSQUWTUNKKJ-HOCLYGCPSA-N	274.408	2.984	70	20	CFID	
O=C(C1CCNCC1)N(Cc1ccc(F)cc1)CC1CC1	160909789	SNQMHWYVWMFTKL-UHFFFAOYSA-N	290.382	2.564	70	20	CFID	
CCNC(=O)CN1CC2(CCCC2)c2c(F)cccc21	160954032	NGNKNALZOGHNMB-UHFFFAOYSA-N	276.355	2.594	70	20	CFID	
COc1cc([C@@H](C)NCC(=O)NC(C)C)ccc1SC	160979241	JTPOUVWETHRDGO-LLVKDONJSA-N	296.436	2.592	70	20	CFID	
CC(C)[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2)CCS1	159413722	XCKBVKJUGZTLSW-AWEZNQCLSA-N	299.461	2.668	70	20	CFID	
COc1ccc(N(C)C(=O)Cc2ccc(C)nc2)cc1F	159439277	BOFANZNJCZGNIN-UHFFFAOYSA-N	288.322	2.743	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@H](C)Cc1ccccc1C	159393135	KLXLTQLPWVJBGW-KGLIPLIRSA-N	263.381	2.857	70	20	CFID	
O=C(Cc1cccc(F)c1)N[C@@H]1CCOC2(CCCC2)C1	159394445	RGUMQHRIDHUCMR-OAHLLOKOSA-N	291.366	2.976	70	20	CFID	
O[C@H]1CCCC[C@@H]1CNCc1cccc2c1NCCC2	159425442	MSFFGBQYEUWHCP-ZBFHGGJFSA-N	274.408	2.685	70	20	CFID	
COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@H]1CCOC1)CC2	159563944	XUSMWTUEUQXMME-DUVNUKRYSA-N	275.392	2.567	70	20	CFID	
Cc1cc(NC[C@H]2CCN(CC(F)(F)F)C2)ccn1	160917975	AJDWGQLSSBNENZ-LLVKDONJSA-N	273.302	2.686	70	20	CFID	
O=S(=O)(Cl)CCCCOCC1CCCCC1	114258310	NBWAHHVKVUOAAP-UHFFFAOYSA-N	268.806	2.932	70	20	CFID	
C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(F)n2)O1	160717641	ONTYTMSRCROYJM-NXEZZACHSA-N	252.289	2.507	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161103738	FYXWSKXBMHHWCA-BARDWOONSA-N	292.423	2.918	70	20	CFID	
CCN(Cc1ccccn1)Cc1nc(N)c2ccccc2n1	161145471	GJCNKGOJPKAENT-UHFFFAOYSA-N	293.374	2.629	70	20	CFID	
COc1cc(F)c(C(=O)NC2CCCC2)cc1OC	161230330	OFTJJUDFCNJVFB-UHFFFAOYSA-N	267.300	2.515	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cccnc2)n1	161264765	FFWCCXOLYQFKIW-UHFFFAOYSA-N	293.330	2.681	70	20	CFID	
CCCn1nc(C)c(C(=O)NCCc2cccs2)c1C	161452301	INHGWIBFLWLJDE-UHFFFAOYSA-N	291.420	2.944	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N[C@@H](C)CN2CCCCC2)on1	160369569	GHLZMJUQDYYTEH-STQMWFEESA-N	293.411	2.792	70	20	CFID	
COCCCCS(=O)(=O)c1ncc(C(C)(C)C)s1	160385061	UWOXUGWREFAKKU-UHFFFAOYSA-N	291.438	2.641	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccc(F)cc1OC)[C@H]1CCCO1	160541031	WXRYZIRSIAQANW-DGCLKSJQSA-N	296.342	2.913	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc2oc(=O)ccc2c1	160590564	XSPQCCFOVDYIBG-VIFPVBQESA-N	277.345	2.873	70	20	CFID	
CCCc1cc(C(=O)N[C@H](CC)c2c(C)noc2C)[nH]n1	160591448	IBKWLADFWLBULU-GFCCVEGCSA-N	290.367	2.848	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCc3c(Cl)cccc32)ncn1	159379543	QHBXRUMTEJRIQQ-CYBMUJFWSA-N	287.750	2.856	70	20	CFID	
COc1cc(NC2C[C@@H]3CC[C@H](C2)N3C)ccc1F	159992288	PLUWIKXPLBQFTG-YHWZYXNKSA-N	264.344	2.871	70	20	CFID	
FC(F)Oc1ccc(NCc2nnc3n2CCCC3)cc1	217317946	KSCUSUBJKSHRNC-UHFFFAOYSA-N	294.305	2.828	70	20	CFID	
CC(C)C(=O)NCCCN[C@H](C)c1ccc(F)c(F)c1	159974600	DQAACQYLCNAZGC-LLVKDONJSA-N	284.350	2.778	70	20	CFID	
CCC(CC)CNC(=O)N1CCN(C2CCCC2)CC1	160539344	GFRZOIASOWCZQK-UHFFFAOYSA-N	281.444	2.692	70	20	CFID	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)Nc1ccc(S(=O)(=O)F)cc1	460088724	CZFXLRUXEKMDAU-KWBADKCTSA-N	297.351	2.720	70	20	CFID	
CC[C@H](C)N(C)CCNC(=O)c1ccc(Cl)cc1O	217406501	AUCKGFIFBBDOBA-JTQLQIEISA-N	284.787	2.506	70	20	CFID	
CCOCCC1(CNC(=O)[C@H]2CC23CCOCC3)CCC1	161034180	LJJGNFZFUNBVIF-CQSZACIVSA-N	295.423	2.516	70	20	CFID	
CC[C@H](NC(=O)Nc1ccc(OC)c(F)c1)[C@H]1CCCO1	161129026	NUMOPMQBQMDBCW-GXTWGEPZSA-N	296.342	2.913	70	20	CFID	
Cc1ccc(NC(=O)NCCc2ccccc2F)cn1	161407536	NWTHIYLHARCIJE-UHFFFAOYSA-N	273.311	2.893	70	20	CFID	
CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCCCN1	160095985	RYNDVEQCHINTAF-INIZCTEOSA-N	292.398	2.749	70	20	CFID	
CCO[C@H]1C[C@@H](N(C)Cc2cnc3ccccn23)C1(C)C	160570144	AGFVRXUSVUMGFY-CABCVRRESA-N	287.407	2.970	70	20	CFID	
Cc1nccc(NC(=O)NCc2ccn(C)c2)c1Cl	159646202	GDBMAVMSTKRAFL-UHFFFAOYSA-N	278.743	2.704	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N2CCO[C@H](C)[C@H]2C)c1	159478353	DXKVWPCZBVUTEX-HUUCEWRRSA-N	275.392	2.872	70	20	CFID	
COC[C@H](NC(=O)Nc1cccc(F)c1F)C1CC1	159677469	NYYZENYDNORGII-NSHDSACASA-N	270.279	2.511	70	20	CFID	
CC(C)CCNC(=O)[C@@H](C)Sc1ccncc1	159904130	DLNSHLJRKHSQRW-LLVKDONJSA-N	252.383	2.725	70	20	CFID	
COc1cc([C@@H](C)NCCO)ccc1SC(F)F	159714102	SKIVCAJPORCNBP-MRVPVSSYSA-N	277.336	2.653	70	20	CFID	
COC(=O)[C@@H](C)CN(C)C(=O)CC[C@@H](C)c1ccccc1	159957989	CUBRPACPOFXRHP-KGLIPLIRSA-N	291.391	2.838	70	20	CFID	
CCCCNC(=O)N[C@H]1CCCc2cc(N)ccc21	159439467	HSRJTJFRKLNUBG-AWEZNQCLSA-N	261.369	2.746	70	20	CFID	
CC(C)[C@@H](O)CCNc1nc(C(C)(C)C)ns1	159637753	WTCWQPZUKPKRDA-VIFPVBQESA-N	257.403	2.655	70	20	CFID	
C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@H](C)N1	161204102	JUPPHOCBKIOPSO-UWVGGRQHSA-N	292.379	2.863	70	20	CFID	
CCO[C@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)C12CCCCC2	161182771	DINMGSCHLDJQLY-KKUMJFAQSA-N	296.455	2.604	70	20	CFID	
O=C(C[C@H]1CCCCO1)N[C@H]1CCOC2(CCCCC2)C1	160744274	SQCJMUNREQZVCA-LSDHHAIUSA-N	295.423	2.944	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccc2c(c1)OCCO2	159445898	BGDMSNRQPPKVJJ-CXAGYDPISA-N	289.375	2.553	70	20	CFID	
CCCN(CC)CCNC(=O)Nc1ccnc(C)c1Cl	159645406	GIEJNHJVCNLJMQ-UHFFFAOYSA-N	298.818	2.897	70	20	CFID	
O=C(NCCc1cscn1)N1CC[C@@H]2CCCC[C@@H]21	159468437	RHWWGFAJQIOZRK-AAEUAGOBSA-N	279.409	2.660	70	20	CFID	
CCCc1cc(C(=O)NCCc2cc3ccccc3[nH]2)[nH]n1	159545062	RHLZHAPUTLXBSS-UHFFFAOYSA-N	296.374	2.816	70	20	CFID	
CN(C[C@@H]1CCCOC1)c1nc(C(C)(C)C)ns1	159388383	SZBBDJNVGQDSEU-JTQLQIEISA-N	269.414	2.698	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@H]2CCCc3occc32)CCO1	159594609	NUSSEUDZRHVIOA-OCCSQVGLSA-N	292.379	2.868	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1ccc(OCC(C)C)cc1	160054666	QBZRPVRRNLRRHM-AWEZNQCLSA-N	279.380	2.612	70	20	CFID	
CCSCC[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	160212224	LDZAEAXOYUIUDD-AJNGGQMLSA-N	298.496	2.945	70	20	CFID	
CCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1	185108173	XQGPKFRFGQHSEG-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CCOc1ccc(CNC(=O)N[C@H](C)CC)cc1	217300747	SYJDFVYASYHRGU-LLVKDONJSA-N	250.342	2.683	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccccc1F	185106005	CEXUWUVJMWVSME-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
CCOc1ccc(NC(=O)N(C)C2CCN(C)CC2)cc1	217281509	ZNJGWGWZDXMJAG-UHFFFAOYSA-N	291.395	2.643	70	20	CFID	
COCC[C@@H](C)Nc1ccncc1Br	159852629	WSJSQYHQQXNKFU-MRVPVSSYSA-N	259.147	2.681	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc(C)cn1	161018171	ZGQPWYRLOBYLFW-GXTWGEPZSA-N	261.369	2.826	70	20	CFID	
COc1ccc(OCCCNC(=O)C[C@H](C)SC)cc1	161023934	LEEPARNUMZVROB-LBPRGKRZSA-N	297.420	2.722	70	20	CFID	
Cc1ncc([C@H](C)N[C@@H]2CCC[C@H](N(C)C)C2)c(C)n1	161050291	RQGJJSSYRWPINS-CFVMTHIKSA-N	276.428	2.617	70	20	CFID	
C[C@@H](c1ccccc1F)S(=O)(=O)Cc1nccs1	161178878	JLYBSLHFMGPVNP-VIFPVBQESA-N	285.365	2.958	70	20	CFID	
Cc1noc(CCC(=O)N2CCc3c(Cl)cccc32)n1	161500333	JCGPWILHFBBRDV-UHFFFAOYSA-N	291.738	2.553	70	20	CFID	
CC(C)c1ccc(C(=O)Nc2cccc(C(N)=O)c2)cn1	160016062	NQCPHAJCGMXKQN-UHFFFAOYSA-N	283.331	2.556	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@@H](C)C(C)(C)CN(C)C	160029078	AEKNRRYBFNCJHJ-STQMWFEESA-N	271.449	2.697	70	20	CFID	
Cc1cc(C)c(C(=O)NCc2nc3c(C)cccc3[nH]2)[nH]1	160500170	NLJWTAJIHOMNJT-UHFFFAOYSA-N	282.347	2.746	70	20	CFID	
C[C@@H](Oc1ccccc1)C(=O)N(C)c1ccc2c(c1)OCO2	160523889	UHDZWVNALCVYLF-GFCCVEGCSA-N	299.326	2.846	70	20	CFID	
CC[C@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160915087	DQDZZFKUCYAEOI-VIFPVBQESA-N	290.289	2.709	70	20	CFID	
CCc1nc(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)co1	159489057	JBQIWWNYBQJXLP-LBPRGKRZSA-N	288.351	2.554	70	20	CFID	
C[C@H]1CCC[C@@](CNC(=O)NC2(C)CCC2)(N(C)C)C1	159884276	LPPCAKXBEYWUHX-XJKSGUPXSA-N	281.444	2.739	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)c2ccc(N)cc2)C12CCCC2	159552042	QLCQBHFVWAWDFK-HUUCEWRRSA-N	288.391	2.736	70	20	CFID	
COCc1cccc(C(=O)NCC2(C3CC3)CC2)c1	159980685	SAJNOZNNUXYXMI-UHFFFAOYSA-N	259.349	2.753	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(C)cc1	159773684	HVUMHJRRHJDDTD-UHFFFAOYSA-N	264.369	2.915	70	20	CFID	
CC1CCN(CCNCc2cc(F)cc(F)c2)CC1	160090434	XFQXLRRRGPFADM-UHFFFAOYSA-N	268.351	2.786	70	20	CFID	
C[C@H](SCCN1CCOCC1)c1ccccc1	159840147	HCEJHWFXSRHAPV-ZDUSSCGKSA-N	251.395	2.813	70	20	CFID	
CCN1CCC(Nc2ccc(F)c(OC)c2)CC1	159970836	OSZWCTDRJVAQHX-UHFFFAOYSA-N	252.333	2.731	70	20	CFID	
CC(C)OC(=O)c1ccn(Cc2cccc(F)c2)c(=O)c1	161032754	IZYOPDIUSODRSS-UHFFFAOYSA-N	289.306	2.601	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(N)=O)s1	161266774	RUVPOYNMJJTNDD-MNOVXSKESA-N	294.420	2.888	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCCc2cn3c(n2)CCCC3)C1	160043508	HCYWOVSXRDYCAJ-UONOGXRCSA-N	289.423	2.704	70	20	CFID	
O=C(c1cc2cc(F)ccc2[nH]1)N(CCCCO)C1CC1	160185423	DDQXWKJFNRYLFE-UHFFFAOYSA-N	290.338	2.684	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc2ccccc2c1	160362039	PYHVPXOJILDUDT-LBPRGKRZSA-N	285.343	2.911	70	20	CFID	
Cc1cccc(CCNC(=O)NCCc2ccncc2C)c1	160366730	DIFRASHVMBXCLJ-UHFFFAOYSA-N	297.402	2.783	70	20	CFID	
CCc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(C)n1	160384006	IHDHITZAVSNTGC-UONOGXRCSA-N	261.369	2.717	70	20	CFID	
CCC[C@H](C(=O)NCCCN1CCCCCC1=O)C(C)C	160536450	OUVGSMZOMFBPNL-HNNXBMFYSA-N	296.455	2.968	70	20	CFID	
CS[C@@H](C)CNC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160729618	KYNIWGUIPVBYLI-QOWREQOWSA-N	290.432	2.623	70	20	CFID	
CCC[C@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1	160792835	CRSKEAQEKOEJQG-LBPRGKRZSA-N	286.379	2.621	70	20	CFID	
C[C@@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H]1C	160935417	KYMRRDLHSBEVTH-VXGBXAGGSA-N	299.378	2.744	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@H]1C	160957734	YPUPTTJTFIYMRM-QWHCGFSZSA-N	299.378	2.777	70	20	CFID	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)C(C)(C)C	159803221	FRONBGOBJUXJHC-NJZAAPMLSA-N	292.398	2.904	70	20	CFID	
C[C@@H](CNC(=O)C(C)(C)C1CCCC1)Cn1cccn1	159671354	RPTANRNUNCJOTG-ZDUSSCGKSA-N	277.412	2.852	70	20	CFID	
CCCNC(=O)[C@H]1CCCN(CCC2CCCC2)C1	159875313	ZJXUMYHREAKWPM-HNNXBMFYSA-N	266.429	2.805	70	20	CFID	
CC[C@@](C)(CCO)NC(=O)Nc1ccn(CCC(C)C)n1	159895732	VSQJZJCMBMXLNI-HNNXBMFYSA-N	296.415	2.602	70	20	CFID	
COc1cc(N[C@@H]2CCN3CCC[C@@H]3C2)ccc1F	160150628	XUMBGPHWWSICNJ-CHWSQXEVSA-N	264.344	2.873	70	20	CFID	
O=C(NCCNCc1c(Cl)oc2ccccc12)C1CC1	161013864	OCIUUINGGSFHMW-UHFFFAOYSA-N	292.766	2.702	70	20	CFID	
C[C@H](c1cccc(Cl)c1)N(C)Cc1nncn1C	160814675	KQFDOPRNNRXUDC-SNVBAGLBSA-N	264.760	2.662	70	20	CFID	
CCC[C@@](C)(NC(=O)c1cc(F)c(C)cc1F)C(=O)OC	161019189	BZEMFWICXUYIAQ-OAHLLOKOSA-N	299.317	2.735	70	20	CFID	
CCCC[C@H](CC)CC(=O)N[C@@H]1CCC[C@H](N)C1	161458267	FGJOKCOPXJVRLO-MELADBBJSA-N	254.418	2.979	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1ccc(Cl)cc1	160269583	IZKUUMSHDYNRHF-LLVKDONJSA-N	297.782	2.731	70	20	CFID	
CC[C@@H](N[C@H](CCO)CSC)c1ccccc1OC	160375517	JRBRVYYUXKVODF-TZMCWYRMSA-N	283.437	2.850	70	20	CFID	
CCc1ncnc(N[C@@H]2CCO[C@@H](C3CC3)C2)c1F	160424223	IYIMAFSEFFVCAS-ZYHUDNBSSA-N	265.332	2.548	70	20	CFID	
CC(C)n1nccc1C(=O)N(C)c1ccccc1F	160478826	IAPSBBSJKOOMBR-UHFFFAOYSA-N	261.300	2.880	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)Oc1cc(C)ccc1NC(C)=O	160489955	YFIJSOXUNNUMFU-SNVBAGLBSA-N	299.392	2.708	70	20	CFID	
CCC(CC)c1cc(C(=O)NCCN2CCCCC2)on1	160568125	IZTRSFXXLPLPOK-UHFFFAOYSA-N	293.411	2.794	70	20	CFID	
CCOCCC1(C(=O)NCc2cccc(OC)c2)CCC1	160646914	QEJCLGSFFIQSPE-UHFFFAOYSA-N	291.391	2.908	70	20	CFID	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCc2ccccc21	160984001	SCCUSNAMDZZWMG-GOEBONIOSA-N	286.375	2.716	70	20	CFID	
CC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1	159664201	MYVZFYXINULQEH-OAHLLOKOSA-N	272.392	2.740	70	20	CFID	
CC1(C)CCC(C(=O)N2CCC[C@@H](CCC(N)=O)C2)CC1	159861291	IAGYKMQPVKIDJL-ZDUSSCGKSA-N	294.439	2.707	70	20	CFID	
CC(C)(CNC(=O)CC1(N)CCC1)Cc1ccccc1	159489580	RURCWMGNANTVBR-UHFFFAOYSA-N	274.408	2.643	70	20	CFID	
CN(Cc1cccc(OC(F)F)c1)C[C@H]1CCC[C@@H]1O	159715320	MNCLHRDRWPNHBC-OCCSQVGLSA-N	285.334	2.881	70	20	CFID	
CCc1ncsc1NC(=O)c1cccc(-c2ncn[nH]2)c1	159387324	YRJBGCIRFDLDMC-UHFFFAOYSA-N	299.359	2.743	70	20	CFID	
C[C@H](CNC(=O)CCc1cncc(F)c1)c1nccs1	159799296	RPFWJUGVDDZQSW-SNVBAGLBSA-N	293.367	2.530	70	20	CFID	
CC(C)(C)c1ncc(CN2CCC(CC(N)=O)CC2)s1	159815576	YIQDSPGLVJXIHT-UHFFFAOYSA-N	295.452	2.528	70	20	CFID	
CCC(CC)(CN)C(=O)N1CC[C@@H](CC(C)C)C1	161221544	LHRBDNPYXYNAGP-ZDUSSCGKSA-N	254.418	2.646	70	20	CFID	
O[C@@H](CNCc1cc(F)cc(F)c1)c1ccccc1	161321073	DVXSYYNOULKGPV-HNNXBMFYSA-N	263.287	2.788	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)CSc2ccccc2Cl)C1	161373848	XDALUXLJXKVPKX-MNOVXSKESA-N	298.839	2.818	70	20	CFID	
C#CCCCCCC(=O)Nc1cccc(S(=O)(=O)F)c1	460096254	WUQYAORICIJTGS-UHFFFAOYSA-N	297.351	2.867	70	20	CFID	
C[C@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1336922414	TVIOJOPAWIDTQA-JQWIXIFHSA-N	299.367	2.653	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1cnc(C(C)(C)C)nc1	161305332	BIQBVKXJNMZKMD-JTQLQIEISA-N	265.357	2.528	70	20	CFID	
Cc1c(F)cccc1S(=O)(=O)Nc1cc(C(C)C)n[nH]1	160653156	VDUGOYXQHBZMDT-UHFFFAOYSA-N	297.355	2.781	70	20	CFID	
CC(=O)N1CCCc2cc(NC(=O)NCC3CC3)ccc21	160821770	RHTZISZROHREPS-UHFFFAOYSA-N	287.363	2.517	70	20	CFID	
COCc1noc([C@H](C)c2c(F)cccc2F)n1	160855137	BPPKXXLSTDBROW-SSDOTTSWSA-N	254.236	2.646	70	20	CFID	
CC(C)NC(=O)CN[C@@H](CCc1ccccc1)C(C)C	160984075	UQKAQCDIPJAJRJ-INIZCTEOSA-N	276.424	2.758	70	20	CFID	
Cc1ccc(C[C@@H](NCC(=O)NC(C)C)C(C)C)cc1	160995032	YLKWQKUYBNRERW-MRXNPFEDSA-N	276.424	2.676	70	20	CFID	
Cc1cc(CNCCc2cccc3cccnc23)n(C)n1	159407914	QGYGAJQTTMEFDC-UHFFFAOYSA-N	280.375	2.609	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(O)nc1C	159817030	RDVQQHLEYDZVMB-AAEUAGOBSA-N	262.353	2.794	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	159639878	JFYDGEHRRFJFMU-UTUOFQBUSA-N	284.400	2.595	70	20	CFID	
O=C(Nc1ccccc1Cl)C(=O)N1CCC2(CCC2)C1	159469834	QSBDUMKWRSZGAK-UHFFFAOYSA-N	292.766	2.681	70	20	CFID	
Cc1cc(NC(=O)CCc2ccc(Cl)cc2)c[nH]c1=O	159725821	BWFBPJALGOALHI-UHFFFAOYSA-N	290.750	2.908	70	20	CFID	
Cc1noc(C)c1CCS(=O)(=O)c1ccc(Cl)cc1	159986154	CMUOTRABQYKORJ-UHFFFAOYSA-N	299.779	2.961	70	20	CFID	
Cc1cc(N[C@@H]2CCCc3cc(N)ccc32)ncn1	159478279	ZKLQSPBNPPMWLJ-CQSZACIVSA-N	254.337	2.857	70	20	CFID	
CN(C(=O)c1cc2ccc(F)cc2s1)[C@H](CN)C1CC1	159847026	YTQBWISYPLEIIT-GFCCVEGCSA-N	292.379	2.850	70	20	CFID	
CC1(O)CCN(Cc2ccc(F)c3cccnc23)CC1	161227661	WWVYLFKEJNJBOQ-UHFFFAOYSA-N	274.339	2.721	70	20	CFID	
CC[C@H](C)NC(=O)NCCCOc1ccc(C)cc1	217297718	ANGPASGHAPXFEP-ZDUSSCGKSA-N	264.369	2.862	70	20	CFID	
CC1CCC(CN(C)C[C@H](O)C(F)(F)F)CC1	159558453	VUNDZZOOQLXZHL-ILDUYXDCSA-N	253.308	2.668	70	20	CFID	
CCSCCN1CCc2ccc(OC)cc2C1	159622588	BCQOLLWGGKJTHD-UHFFFAOYSA-N	251.395	2.806	70	20	CFID	
O=S(=O)(Cl)C[C@@H](F)c1ccccc1OC(F)F	1537958821	NKQBTONCICNTLY-SSDOTTSWSA-N	288.674	2.867	70	20	CFID	
C[C@H]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)F)cc1	864242080	UUUYPFLITUQILB-JQWIXIFHSA-N	299.367	2.511	70	20	CFID	
CC(C)[C@H](CNCc1ccnn1C)c1ccccc1	218233977	WNQPFHUOINAYLN-INIZCTEOSA-N	257.381	2.950	70	20	CFID	
Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ncn1	161155982	MXPUFIGZDZWRTQ-UHFFFAOYSA-N	295.386	2.880	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1	161387406	IDHLUMNYHXAYCZ-JKSUJKDBSA-N	286.419	2.885	70	20	CFID	
CCSCc1cccc(NC(=O)[C@@H](N)CCSC)c1	161481807	QZUQZNFILAGNDM-ZDUSSCGKSA-N	298.477	2.959	70	20	CFID	
Cc1ccc(F)c(OCC(=O)NCC2(C3CC3)CC2)c1	160159443	DFMDPRANGLJFIE-UHFFFAOYSA-N	277.339	2.819	70	20	CFID	
Cc1cccc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)n1	160173583	WHJPSYZLLSLCFD-ZBFHGGJFSA-N	298.386	2.675	70	20	CFID	
CNC(=O)c1ccc(NC(=O)c2ccco2)c(Cl)c1	160266006	XKUOVQPMDXGHLC-UHFFFAOYSA-N	278.695	2.545	70	20	CFID	
C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160480699	KUSUOJJWPDZEMX-BDAKNGLRSA-N	290.289	2.756	70	20	CFID	
Cc1nc2ccccn2c1CN1CC[C@@H](CN2CCCC2)C1	160561933	MQLULPPXEXLWPA-INIZCTEOSA-N	298.434	2.560	70	20	CFID	
O[C@H]1CCCC[C@@H]1CNC1CCN(c2ccccc2)CC1	160562568	HDWYWIJISHPBEC-QAPCUYQASA-N	288.435	2.796	70	20	CFID	
O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCCO1	160583552	AIHJENTYGSRZRG-AWEZNQCLSA-N	256.305	2.742	70	20	CFID	
CC[C@H](C)N[C@H](CN1CCCC1=O)c1ccccc1	160739129	RRHQBVMUSFUEMP-DZGCQCFKSA-N	260.381	2.738	70	20	CFID	
C[C@@H](c1nc(-c2cccs2)no1)N(C)C[C@H](O)C1CC1	160827000	BGEVWIVFLMLJSF-ONGXEEELSA-N	293.392	2.562	70	20	CFID	
COCc1noc([C@@H]2C[C@H]2c2sccc2C)n1	160968517	WTCKXCBAVBPODN-RKDXNWHRSA-N	250.323	2.857	70	20	CFID	
O=C(NOCc1cccnc1)N[C@@H]1CCCc2ccccc21	160986077	PIRPWAYTSYDEHW-MRXNPFEDSA-N	297.358	2.890	70	20	CFID	
Cc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c(C)c1	159736665	RJSUOIBZKOMPBL-BETUJISGSA-N	262.353	2.728	70	20	CFID	
CC(C)c1ccc(C(=O)NCC2(O)CCCCC2)cn1	159746463	XISYBQWNQCRBMM-UHFFFAOYSA-N	276.380	2.630	70	20	CFID	
CC1(C)C[C@@H](NCc2ccn(-c3ccccc3)n2)CCO1	159993419	XJEZQBJFYQTYAN-AWEZNQCLSA-N	285.391	2.920	70	20	CFID	
Cc1ccccc1[C@H](C)NCCCN1CCCC1=O	159545017	SSCIJMKVUZOHSN-AWEZNQCLSA-N	260.381	2.658	70	20	CFID	
OCC1(CNCc2ccnc3ccccc23)CCCC1	160097835	YUEUJCJZIDTDRP-UHFFFAOYSA-N	270.376	2.877	70	20	CFID	
O=C(N1CCCCCC1)N1CC[C@@H](N2CCCCC2)C1	160558118	FSVWCAJXPIKIMK-OAHLLOKOSA-N	279.428	2.543	70	20	CFID	
Cc1cccc(OCCN(C)C[C@@H](O)Cc2ccccc2)c1	218763797	NFFRCLXXYQUTLR-SFHVURJKSA-N	299.414	2.909	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)NCCc1cscn1	159531115	OAAOHFSEJFLTDW-GFCCVEGCSA-N	267.398	2.660	70	20	CFID	
C[C@@H](NC(=O)C(C)(C)C1CCCC1)C(=O)NC(C)(C)C	161077219	HLYOLYKTUUUXMV-LLVKDONJSA-N	282.428	2.622	70	20	CFID	
O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCCO1	160040553	CBXKVGHULKSDAT-ZDUSSCGKSA-N	267.756	2.568	70	20	CFID	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1N	161417478	JZSXRUXOLWWOGM-MIGQKNRLSA-N	272.392	2.518	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)CO[C@@H]1CCCC[C@H]1C	161502469	MOFISHQHXOGZEU-YIYPIFLZSA-N	253.386	2.981	70	20	CFID	
CCOc1ncccc1CNC(=O)Nc1ccc(C)nc1	161509087	KPNCOXYTZXBHKM-UHFFFAOYSA-N	286.335	2.505	70	20	CFID	
COC(=O)Nc1cccc(NC(=O)C[C@@H](C)SC)c1	160307020	OTYDWSJKARDFFJ-SECBINFHSA-N	282.365	2.945	70	20	CFID	
C[C@@H](NC[C@H](C1CCCCC1)N(C)C)C1CCN(C)CC1	160422641	VDVFQNGOUAJVTJ-CRAIPNDOSA-N	295.515	2.817	70	20	CFID	
CCCCCOCC(=O)N(C)[C@H](C)Cc1ccc(O)cc1	160473639	ISQNXYCSORZFCI-CQSZACIVSA-N	293.407	2.988	70	20	CFID	
CC[C@H](NC(=O)[C@@H]1CCCS1)c1c(C)noc1C	160517018	RNBQFPCOLCKOHU-QWRGUYRKSA-N	268.382	2.754	70	20	CFID	
COc1ccc(CNC(=O)c2cc(F)c(C)cc2F)cn1	160808135	LAYHIRAGNDJBAY-UHFFFAOYSA-N	292.285	2.607	70	20	CFID	
CC[C@@H](COC)N[C@@H](CCCO)c1ccccc1	160883503	MLAJPVOYFWJPJU-GJZGRUSLSA-N	251.370	2.515	70	20	CFID	
CO[C@]1(C)C[C@H](NC(=O)C[C@H](C)c2ccncc2)C1(C)C	160953477	AMBJBCBPALRKOJ-RVSPLBMKSA-N	290.407	2.895	70	20	CFID	
Cn1cc(C(=O)N[C@@H]2C=CCCC2)c(-c2cccs2)n1	159862290	BSLUSHZLMQKOPP-LLVKDONJSA-N	287.388	2.987	70	20	CFID	
CCN(CCCNC(=O)C1(C)CC1)c1ccccc1	159696336	GQROUNNMZIYSRR-UHFFFAOYSA-N	260.381	2.819	70	20	CFID	
CC(=O)c1cnc(NC(=O)[C@H]2CCCCCC[C@@H]2N)s1	159507653	GUCMLASRIRMCHI-QWRGUYRKSA-N	295.408	2.582	70	20	CFID	
CC(=O)N(C)C1CCN(C(=O)C2CCC(C)(C)CC2)CC1	159589362	ZPFMZKOAWDMDIW-UHFFFAOYSA-N	294.439	2.672	70	20	CFID	
CSCC[C@H](C)N(C)C(=O)[C@H]1CNc2ccccc21	161261118	MCRIUVINIYSAEQ-AAEUAGOBSA-N	278.421	2.796	70	20	CFID	
CCc1ccc([C@@H](F)CS(=O)(=O)Cl)cc1	1537958740	IKFDOMKXWVURFC-JTQLQIEISA-N	250.722	2.828	70	20	CFID	
CCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1	865205817	RUWMCAIJQAZLEX-JTQLQIEISA-N	287.356	2.605	70	20	CFID	
Fc1cccc(NCc2nnc3n2CCCC3)c1F	217318338	WDNOXWCHHFPUBP-UHFFFAOYSA-N	264.279	2.505	70	20	CFID	
Cc1ncc([C@@H](C)N[C@H]2CCC[C@H](N(C)C)C2)c(C)n1	161050366	RQGJJSSYRWPINS-SNPRPXQTSA-N	276.428	2.617	70	20	CFID	
C[C@H]1Sc2ccccc2N(Cc2ncnn2C)[C@@H]1C	161247727	KTXADETYHCYFCF-GHMZBOCLSA-N	274.393	2.704	70	20	CFID	
Cc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ncn1	161288082	ZCPQTQMOTIZOCU-UHFFFAOYSA-N	285.322	2.729	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CC[C@@H](N)C1	161414267	QIMODDQJTWDESI-QWHCGFSZSA-N	272.348	2.519	70	20	CFID	
CS[C@@H](C)CNC(=O)NCCc1ccc(F)cc1C	160038699	XKHFAUCCUWXPFA-NSHDSACASA-N	284.400	2.727	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)c1ccc(F)cc1	160104559	YJLZVCMYULYNHF-LLVKDONJSA-N	295.354	2.561	70	20	CFID	
CCCn1nccc1CNC[C@]1(N(C)C)CCC[C@@H](C)C1	160113270	FCZKKDZPKGZXHY-WBVHZDCISA-N	292.471	2.893	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCCc3sccc32)no1	160248239	DSGROLAFJUWRCU-SNVBAGLBSA-N	262.334	2.852	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1C=CCCC1	160269292	JXWYYZNUWFRROQ-GXFFZTMASA-N	277.368	2.803	70	20	CFID	
Cc1ccc(CCCCC(=O)N(C)[C@@H](C)CO)cc1	160413308	YMHBCMVQSAEBJW-AWEZNQCLSA-N	263.381	2.547	70	20	CFID	
CCC(N)(CC)CNC(=O)c1cc(C)c2ccccc2n1	160429924	DHWXRNUAXLUXCM-UHFFFAOYSA-N	285.391	2.791	70	20	CFID	
CC(=O)c1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)cc1	160637031	XOXVAYMRNNUTRJ-UHFFFAOYSA-N	297.310	2.895	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	160689728	MTBLARCIGCLLDS-HZPDHXFCSA-N	286.350	2.926	70	20	CFID	
COC(=O)c1ccc(F)c(NC(=O)N[C@H](C)C2CCC2)c1	160919828	PYTXTUPXFVKYMU-SECBINFHSA-N	294.326	2.922	70	20	CFID	
C[C@H](NC(=O)Nc1ccccc1)[C@@H](O)Cc1ccccc1	160954759	RWILYZHZAWUGTL-BBRMVZONSA-N	284.359	2.800	70	20	CFID	
Cc1cc(NC(=O)c2cc(Cl)ccc2F)c[nH]c1=O	159609696	RKURYIAHIRWMCJ-UHFFFAOYSA-N	280.686	2.728	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnc2c(c1)c(C)nn2C	159637944	UOZFVEPDJVEJHT-BXUZGUMPSA-N	286.379	2.585	70	20	CFID	
COC(C)(C)CNC(=O)Nc1cccc(OCCF)c1	159833812	WIHBQAFVWBFCGD-UHFFFAOYSA-N	284.331	2.581	70	20	CFID	
CCOC(=O)NCCCC(=O)N(C)c1ccc(C)cc1C	159856153	BECZDEPLQYHPEQ-UHFFFAOYSA-N	292.379	2.793	70	20	CFID	
O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)ccc1O	159671715	OYFOGKLPFACQNM-UHFFFAOYSA-N	298.317	2.985	70	20	CFID	
CCCCS[C@@H](C)C(=O)N[C@@H](CO)Cc1ccccc1	159940465	SSSCQNGBTBPTAR-DZGCQCFKSA-N	295.448	2.628	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](CCO)C(C)C)c1C	159942562	BGDMLEDQPWUGMI-ZDUSSCGKSA-N	296.415	2.520	70	20	CFID	
O=C(Cc1cccs1)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	159952547	VWEQOXXKAFPIBZ-INMHGKMJSA-N	283.396	2.993	70	20	CFID	
NC[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1	161199125	NZPMGTXOICXRTO-JTQLQIEISA-N	292.379	2.851	70	20	CFID	
c1cc(CNC2CCN(C3CC3)CC2)c2[nH]ccc2c1	218083928	GLBGEYJFPVYQPM-UHFFFAOYSA-N	269.392	2.884	70	20	CFID	
CCCC[C@H](NC(N)=O)C(=O)NCC(C)(C)C1CCCC1	161128492	RKTGUPKBOYUYOZ-ZDUSSCGKSA-N	297.443	2.546	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)CC1(C)CCCCC1	161149356	NMBDPOAAYRFRCW-CYBMUJFWSA-N	255.402	2.870	70	20	CFID	
C[C@H](CNC(=O)CCCCCCN)Oc1ccccc1F	161159057	IJYLGFOUQWYIST-CYBMUJFWSA-N	296.386	2.618	70	20	CFID	
Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C)nc1	161444838	LKLHCKVGGJTQNX-UHFFFAOYSA-N	272.352	2.803	70	20	CFID	
COCCC1(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CCC1	160035350	KYODMSLDZHMLNF-CQSZACIVSA-N	295.423	2.801	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC(=O)C[C@H](C)c1ccncc1	160270555	KPJUGFFPFMNARQ-LBPRGKRZSA-N	297.358	2.621	70	20	CFID	
CCO[C@H](CC)C(=O)N[C@H](CC)c1c(C)noc1C	160458988	UKMCGHVCHCLFOF-VXGBXAGGSA-N	268.357	2.674	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)OC1CCCCCC1	160533342	DUNJZBRRFNIKOJ-QWHCGFSZSA-N	299.411	2.572	70	20	CFID	
CC[C@@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)cc1	160720435	UXYUWZGQMFIFAT-ZWNOBZJWSA-N	284.787	2.861	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1nnc(CC(C)C)s1	160748617	HZRJDBWVZYCNQQ-QMMMGPOBSA-N	273.427	2.817	70	20	CFID	
CC(C)n1nccc1C(=O)N(Cc1ccncc1)C1CC1	160845789	WSEHBNKPNOXXHA-UHFFFAOYSA-N	284.363	2.664	70	20	CFID	
COC(=O)C1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1	160993553	BDCNFXOBWBFDSN-MGPQQGTHSA-N	293.407	2.805	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N1CCC[C@](C)(O)C1	159642621	NLSLPPARLNSFGH-ZFWWWQNUSA-N	270.417	2.759	70	20	CFID	
CCOCC(=O)N1C[C@@H](C)CSc2ccccc21	159646214	UIENUJSPZWITLA-LLVKDONJSA-N	265.378	2.798	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	159655955	BSZCNBYJAYNSES-WBMJQRKESA-N	297.358	2.816	70	20	CFID	
Cc1c([C@@H](NC(=O)[C@H](C)N)C(C)C)oc2ccccc12	159695916	HEVHRLACGVYTRY-FZMZJTMJSA-N	274.364	2.902	70	20	CFID	
O=C(c1cccc2c1CCC2)N1CCC(NCC2CC2)CC1	159743210	XJAMLXYLJJEUCF-UHFFFAOYSA-N	298.430	2.780	70	20	CFID	
CN(C(=O)Nc1c(F)cccc1F)[C@H]1CCSC1	159378631	VWVBFRDRJIODOR-QMMMGPOBSA-N	272.320	2.934	70	20	CFID	
CO[C@]1(CNC[C@@H]2CCCc3ccccc32)CCOC1	160361070	AZLVKCWGTJVWQJ-RDJZCZTQSA-N	275.392	2.502	70	20	CFID	
Cc1cccc(CCNC(=O)NCc2ccco2)c1	217403468	DSANORCSPGOOTI-UHFFFAOYSA-N	258.321	2.630	70	20	CFID	
COc1cccc(CC(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218695602	AHHPTMJDLMRFHC-KBPBESRZSA-N	257.333	2.557	70	20	CFID	
CC1=C(C(=O)N[C@@H]2CCc3ccccc32)CCCO1	161048137	BEXZDHBQWQYNPM-OAHLLOKOSA-N	257.333	2.875	70	20	CFID	
COCCC1(C(=O)NCCCOc2ccc(F)cc2)CC1	161075929	FNHHPBGZGOODSL-UHFFFAOYSA-N	295.354	2.528	70	20	CFID	
CCOCCC1(CNC(=O)[C@@H](C)CSC)CCC1	161077163	AJJGJRMLVHMEDY-LBPRGKRZSA-N	273.442	2.699	70	20	CFID	
C[C@H](NCCc1ccc2c(c1)OCO2)c1cncc(F)c1	161140395	CVCLURJXPADEJE-NSHDSACASA-N	288.322	2.843	70	20	CFID	
CCCCCN1CCC([C@H](O)C(F)(F)F)CC1	161197909	RFPMZRSDKCWERQ-NSHDSACASA-N	253.308	2.812	70	20	CFID	
CC[C@@H](CC(=O)N(C)CC[C@@H](C)O)c1ccc(OC)cc1	160133566	ZDASINKHOHNGAI-KGLIPLIRSA-N	293.407	2.808	70	20	CFID	
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(F)c(C)cc1F	160447122	ILAMFAHNTZBLAL-CYBMUJFWSA-N	299.317	2.591	70	20	CFID	
CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1	160676772	NZIURZZQIUNICW-KURKYZTESA-N	294.398	2.764	70	20	CFID	
CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1	160700660	FYCDSGMEWXESFY-ZBFHGGJFSA-N	293.455	2.692	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(N(C)C(=O)OC)cc1	160991265	QISYYKBJWZOHCT-LLVKDONJSA-N	294.351	2.643	70	20	CFID	
O=C(C[C@@H]1CCCN1)Nc1cc(C2CCCCCC2)[nH]n1	159480083	YMHHZOIKGOPHLN-ZDUSSCGKSA-N	290.411	2.928	70	20	CFID	
N[C@H](C(=O)NC[C@H]1CCc2ccccc21)c1ccccc1	159731269	HEARZBUMLJGJIU-WBVHZDCISA-N	280.371	2.533	70	20	CFID	
CCOCCCN1CCC(NC(=O)C2CCCCC2)CC1	159745855	PXTWWGRJOWMEDD-UHFFFAOYSA-N	296.455	2.574	70	20	CFID	
Cc1cc(C(=O)Nc2ccc(COC(C)C)cc2)ncn1	159762529	RPOVLBTWCLGGIX-UHFFFAOYSA-N	285.347	2.962	70	20	CFID	
CC(C)(N)CNC(=O)CCSc1ccc(Cl)cc1	160010240	FXCMPZDDEMIQTD-UHFFFAOYSA-N	286.828	2.676	70	20	CFID	
O=C(NCCC1CCCCC1)N1CCCC[C@@H]1CCO	217305254	LPCVCFAFKLFCCF-OAHLLOKOSA-N	282.428	2.903	70	20	CFID	
CCOC(=O)CN(C(=O)C1CCC(C)(C)CC1)C1CC1	159813534	SGLZFCMBWBAEOY-UHFFFAOYSA-N	281.396	2.757	70	20	CFID	
CCOC(=O)[C@H]1CCCN1C(=O)c1cccc(C)c1Cl	160406398	VOLLWRYTLMABTB-GFCCVEGCSA-N	295.766	2.816	70	20	CFID	
CCCC[C@H](Sc1nnc(C)s1)C(=O)OC	160593961	ZYEJAWDGJVOGSB-QMMMGPOBSA-N	260.384	2.670	70	20	CFID	
CCOc1cc(Br)c(O)c(F)c1F	218086994	KMQYXKVHTVMKNN-UHFFFAOYSA-N	253.042	2.832	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)CCc2ccc(Cl)s2)C1	161081978	YJYBEDJUEFYGLR-ZJUUUORDSA-N	286.828	2.720	70	20	CFID	
CCC(CC)CNC(=O)NCCc1ccncc1C	161398649	DIRHHRUJBGHSGS-UHFFFAOYSA-N	263.385	2.668	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N(C)C[C@@H]2CCCCO2)on1	161432203	HVLAVAJYXNVRNJ-NEPJUHHUSA-N	280.368	2.829	70	20	CFID	
CC(C)[C@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1	160316360	GAVNYRFZLIAQJR-QMMMGPOBSA-N	278.278	2.611	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H]1CCCC[C@@H]1C(C)C)CC2	160412125	CFPKVAUUKLVPBR-ZNMIVQPWSA-N	276.428	2.706	70	20	CFID	
Cc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1	160548303	WIWBNOMEQAFQGQ-WFASDCNBSA-N	270.380	2.561	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCc1ccsc1	160607380	SJGPVJCDQPMIJL-UHFFFAOYSA-N	262.378	2.678	70	20	CFID	
Cc1nc(O)ccc1C(=O)NCCCSCC(C)C	160662729	WKTOQRSHYMYVIG-UHFFFAOYSA-N	282.409	2.605	70	20	CFID	
CCC[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1	159811796	HZOMLMNITPCLER-TZMCWYRMSA-N	280.799	2.783	70	20	CFID	
CCSCC[C@@H](C)NC(=O)[C@@](C)(N)c1ccccc1	160209971	KEROTBBKYBRURU-DOMZBBRYSA-N	280.437	2.508	70	20	CFID	
CC[C@]1(C(=O)N[C@@H](C)c2cccc(C)c2)CCNC1	160315109	ZHXBOABELMBJNR-BBRMVZONSA-N	260.381	2.562	70	20	CFID	
CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nccs2)C1	218111348	RJYPNBRHCHXGQW-NSHDSACASA-N	281.425	2.522	70	20	CFID	
C1CCN(CCCN2C[C@H]3CCCC[C@H]3C2)CC1	161451275	RREYUWXHEOGZOB-IYBDPMFKSA-N	250.430	2.984	70	20	CFID	
C[C@@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1	1338818878	WGAMXRIGNSKTSN-LLVKDONJSA-N	299.367	2.607	70	20	CFID	
O=C(NCc1ccc(CO)cc1)Nc1ccccc1F	217268632	DOPORASFDZIUIX-UHFFFAOYSA-N	274.295	2.640	70	20	CFID	
C[C@H](Cc1cccs1)NC(=O)NOCc1cccnc1	161082849	NBPBFBYLOYJGRT-LLVKDONJSA-N	291.376	2.505	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N(C)c1ccccc1N(C)C	161124318	BKIOPTVWJJGSPT-LBPRGKRZSA-N	284.425	2.565	70	20	CFID	
CC[C@H]1CO[C@H](C)CN1C(=O)c1cccc(C)c1F	161404498	CORGVWNSJRTQHF-NEPJUHHUSA-N	265.328	2.774	70	20	CFID	
CN1CCC(N[C@H]2CCCOc3ccc(F)cc32)CC1	161444215	KIAIWHLRHOPAOC-HNNXBMFYSA-N	278.371	2.723	70	20	CFID	
Cc1nc(NC(=O)C[C@H]2CCCCO2)cc(C2CC2)n1	160147746	YDTWEHXUFLLGGM-GFCCVEGCSA-N	275.352	2.560	70	20	CFID	
Cc1cncc(CNC(=O)N2CCc3cccc(F)c3C2)c1	160325668	QZWDTZPOXIWXAG-UHFFFAOYSA-N	299.349	2.797	70	20	CFID	
CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1	160333366	CRBKIAJGSUKAKZ-HZPDHXFCSA-N	284.407	2.951	70	20	CFID	
CCOC(=O)c1cccnc1N[C@@H]1CCO[C@@H](C2CC2)C1	160452253	DEFDFRRMZVDXRT-TZMCWYRMSA-N	290.363	2.628	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCc1cccnc1	160647692	OWRGJSCUWJWDJB-KBPBESRZSA-N	286.400	2.914	70	20	CFID	
CCc1cc(O)nc(CN(C2CC2)[C@@H](C)C2CC2)n1	160791219	RDTHENPRNJMOKD-JTQLQIEISA-N	261.369	2.508	70	20	CFID	
C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]1O	160825953	PSIJTCVKMPUVGK-SWHYSGLUSA-N	281.783	2.548	70	20	CFID	
CCOC(=O)C1(C(=O)Nc2nc(CC)c(C)s2)CCC1	159610430	BKARKNGMINGJEG-UHFFFAOYSA-N	296.392	2.686	70	20	CFID	
CCc1ccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)cc1	159641846	IVFXJEFQJCQBSQ-GFCCVEGCSA-N	286.379	2.730	70	20	CFID	
CCc1cc(C(=O)N[C@H]2CCCc3sccc32)[nH]n1	159866575	XVZOWJQAIOWLBF-NSHDSACASA-N	275.377	2.841	70	20	CFID	
CCc1noc([C@H](C)N(C)Cc2cccc(N(C)C)c2)n1	159867253	LWFUVYUEKAECAU-LBPRGKRZSA-N	288.395	2.891	70	20	CFID	
C[C@H]1CC[C@H](NC(=O)NCCn2cccn2)c2ccccc21	159692385	PNCBBULQUPEFBL-BBRMVZONSA-N	298.390	2.821	70	20	CFID	
CC(C)(C(=O)NCc1nccs1)C1CCCC1	159709909	AIUKVQIHKCYBQJ-UHFFFAOYSA-N	252.383	2.976	70	20	CFID	
CCCC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H]2CC)CC1	159760786	SUOBYQGBQCTPGH-UKRRQHHQSA-N	294.439	2.720	70	20	CFID	
CO[C@@]1(C)C[C@H](NC(=O)CCCn2cccc2)C1(C)C	159770166	DDRJMIXACPDMGQ-BBRMVZONSA-N	278.396	2.588	70	20	CFID	
CCN(CCCO)C(=O)c1cc2ccccc2c(Cl)n1	160452770	SXHWSPPXXQYHSB-UHFFFAOYSA-N	292.766	2.733	70	20	CFID	
CC/C(C)=C/C(=O)Nc1ccc(S(=O)(=O)F)cc1	460091970	LLBWHUHCJITEOU-CMDGGOBGSA-N	271.313	2.640	70	20	CFID	
COc1ccc(OC)c([C@H](O)CN(C)[C@@H](C)C(C)C)c1	217018458	KVPOFESKYMVVPL-SWLSCSKDSA-N	281.396	2.714	70	20	CFID	
CCCCCNC(=O)c1c(C)nn(CCC)c1C	161114809	UFVMWPWTISTPQX-UHFFFAOYSA-N	251.374	2.830	70	20	CFID	
COC(=O)c1ccc(OCc2nccs2)c(OC)c1	161153857	ZUIDRHNSZQSWDF-UHFFFAOYSA-N	279.317	2.517	70	20	CFID	
COC(CN1CC[C@H](c2ccccc2)[C@H](C)C1)OC	161255200	LCKNAHKVQZQYDN-HIFRSBDPSA-N	263.381	2.731	70	20	CFID	
CC1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)CC1	161282327	QQLVBBULUOAXRM-UHFFFAOYSA-N	287.403	2.872	70	20	CFID	
Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[C@@H](N)C3)on2)cc1	161506792	SKJNALHEHHAHOH-KGLIPLIRSA-N	299.374	2.650	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160226353	XNEOIVIDPMNIQZ-YMTOWFKASA-N	274.324	2.748	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCC1=CCCOC1	160257104	ZPIKOSYZLJJUAJ-UHFFFAOYSA-N	286.375	2.646	70	20	CFID	
COCC(C)(C)C(=O)NCCCOC1CCCCC1	160291058	KHNXQVWXCONRJG-UHFFFAOYSA-N	271.401	2.515	70	20	CFID	
CCCC[C@@H](COC)NC(=O)NCc1ccc(O)c(F)c1	160410199	SEBHNCCZLXWVPF-LBPRGKRZSA-N	298.358	2.536	70	20	CFID	
COCCOc1cccc(CN[C@H]2CCOC(C)(C)C2)c1	160512825	RCSJCTBLPNYWBX-HNNXBMFYSA-N	293.407	2.759	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)c1cc(F)cc2cccnc12	160629626	SZLMPCIJYDOJQL-ZDUSSCGKSA-N	290.338	2.511	70	20	CFID	
CC[C@H](NC[C@@H]1CCCC[C@@H]1O)c1c(C)nn(C)c1C	160653883	VADXLIFJKRKJQA-KKUMJFAQSA-N	279.428	2.629	70	20	CFID	
C[C@@H]1CC[C@@H](NC(=O)c2cn[nH]c2)c2ccccc21	159473098	NXQQWYKRSXMZQD-QMTHXVAHSA-N	255.321	2.778	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1	159909422	ZAASPGWDDKMANF-JKSUJKDBSA-N	293.455	2.692	70	20	CFID	
CN(Cc1nccs1)c1nc(C(C)(C)C)ns1	159795481	LWBVTJAOWPPEEN-UHFFFAOYSA-N	268.411	2.929	70	20	CFID	
Cc1ccc([C@H](C)NCCCN2CCCC2=O)cc1	159575670	UBHJYEJICLXYNS-AWEZNQCLSA-N	260.381	2.658	70	20	CFID	
CN(CCc1ccccc1Cl)C[C@@H]1CCC[C@@H]1O	159585994	DQFDFJWVVMWPPE-ZFWWWQNUSA-N	267.800	2.975	70	20	CFID	
CCSCC[C@@H](C)NC[C@@H](O)COc1ccccc1	160099786	SUWQFNNSCBONCY-ZIAGYGMSSA-N	283.437	2.548	70	20	CFID	
CC[C@H](C)NC(=O)N[C@H]1CCc2c(OC)cccc21	160278891	NJHOGBOTLNUTBW-GWCFXTLKSA-N	262.353	2.780	70	20	CFID	
Cc1cccc(C(=O)N[C@H](C)c2cnn(C)c2C)c1F	161452274	PGLDYVIOSLEGBB-SNVBAGLBSA-N	275.327	2.667	70	20	CFID	
C1CCC(CCN2CCC(CN3CCOCC3)CC2)C1	160410574	QGDDBILBQQXTOW-UHFFFAOYSA-N	280.456	2.611	70	20	CFID	
CCCc1cc(C(=O)N[C@@H]2CCC[C@@H]2CO)sc1C	218050884	RTMVABVUMRGYRL-CHWSQXEVSA-N	281.421	2.900	70	20	CFID	
COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCC[C@H](N)C1	161056533	OWDDPOAPEAFTIB-HZSPNIEDSA-N	290.407	2.575	70	20	CFID	
COC(=O)CN1c2ccccc2S[C@H](C)[C@@H]1C	161133172	BUXZYXXGWYMLDY-VHSXEESVSA-N	251.351	2.549	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCOC1CCOCC1	161206087	SOMZWURMAYUTGV-GDBMZVCRSA-N	297.439	2.999	70	20	CFID	
CCc1cc2c(=O)n(Cc3nccs3)cnc2s1	161207365	BPWNJNCDTXGEGC-UHFFFAOYSA-N	277.374	2.525	70	20	CFID	
CC[C@@H](NC(=O)[C@@H]1CCCNC1)c1ccc(F)cc1F	161209482	XAOXASBLRAAMDW-QMTHXVAHSA-N	282.334	2.532	70	20	CFID	
COc1ccc(C)cc1CS(=O)(=O)Cc1nccs1	161215889	FYZHONXWHQTOQW-UHFFFAOYSA-N	297.401	2.575	70	20	CFID	
Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)cc1	160240865	LRHUFQSITJNFPB-UHFFFAOYSA-N	282.303	2.934	70	20	CFID	
CCc1nnc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)s1	160605055	ZIJKQNIFINKXPT-UWVGGRQHSA-N	280.397	2.897	70	20	CFID	
O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccc2[nH]cnc2c1	160611991	OIQKKPGRDZBFKY-RRQGHBQHSA-N	289.338	2.631	70	20	CFID	
O=[S@@](Cc1nccs1)c1cc(F)ccc1F	160646827	WHQCQVORIBGJCR-MRXNPFEDSA-N	259.302	2.729	70	20	CFID	
O=C(NCC1([C@H](O)c2ccccc2)CC1)Nc1cccnc1	160823338	QSFYLXRUJZXQIY-OAHLLOKOSA-N	297.358	2.717	70	20	CFID	
CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[C@H](N)C2)cc1	160867462	GZOPLOCZLXXZPH-ZBFHGGJFSA-N	288.435	2.770	70	20	CFID	
C[C@@H](NC(=O)NC1CCCCC1)[C@H](O)Cc1ccccc1	160959093	LIJAYKYEEDNUPC-CZUORRHYSA-N	290.407	2.610	70	20	CFID	
Cc1nccc(NC(=O)NC[C@H]2CCCN(C)C2)c1Cl	159483828	LTNPGPJSWILLCG-LLVKDONJSA-N	296.802	2.507	70	20	CFID	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)C[C@@H](C)O	159559038	QPRYSSYHEOPGMT-KGLIPLIRSA-N	292.423	2.758	70	20	CFID	
COC(=O)[C@H](C)CN(C)C(=O)CC[C@@H](C)c1ccccc1	159957731	CUBRPACPOFXRHP-ZIAGYGMSSA-N	291.391	2.838	70	20	CFID	
CCOc1ncccc1NC(=O)NC1C[C@H](C)O[C@@H](C)C1	159381829	LGJTXAGPXIHGQW-QWRGUYRKSA-N	293.367	2.558	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCCNC(=O)OC(C)(C)C	159784664	VEOQVKGKHJWMJK-OLZOCXBDSA-N	298.427	2.986	70	20	CFID	
Cc1ccc(NC(=O)N(C)[C@H](CN)C2CC2)cc1Cl	159907999	DTXPEBBIRRCNAV-CYBMUJFWSA-N	281.787	2.849	70	20	CFID	
CCc1ccc(C(C)(C)C(=O)N[C@H]2CCC[C@H](N)C2)cc1	161002797	ARNKBEMORSAGLK-HOTGVXAUSA-N	288.435	2.913	70	20	CFID	
C[C@@H](CCO)CNC(=O)c1cccc(OC2CCCC2)c1	161027825	HJDQMPJOPYMEEE-ZDUSSCGKSA-N	291.391	2.756	70	20	CFID	
C[C@H](CNC(=O)C1(CN)CCCC1)Sc1ccccc1	161116819	KZWDFPIBPWDSCB-CYBMUJFWSA-N	292.448	2.803	70	20	CFID	
CN(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCCC1	161130252	IBESMHHWUSHNMN-KFWWJZLASA-N	292.423	2.918	70	20	CFID	
CCc1ncc(NC(=O)N(C)C[C@@H](C)CC)cn1	161158088	AOAKXCNCNWYDPB-JTQLQIEISA-N	250.346	2.549	70	20	CFID	
CCc1ccc([C@H](C)NC(=O)c2cc(C)ncn2)cc1	161240152	PSPRAWYWPLDQSI-LBPRGKRZSA-N	269.348	2.838	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CCCC[C@@H]1C(N)=O	161268848	XFMLVEMWDUBBGP-RDBSUJKOSA-N	294.439	2.753	70	20	CFID	
CCO[C@@H](C)c1nccn1CC(=O)N(CC(C)C)C(C)C	161493980	UQPFWYXMINBJAD-AWEZNQCLSA-N	295.427	2.874	70	20	CFID	
C[C@H](NCC1(CO)CCCC1)c1nc2ccccc2n1C	160096546	WYUUXQOOIPGHRS-ZDUSSCGKSA-N	287.407	2.777	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)C1(C)CCC1	160113444	ZXIMJGOWEFMLNN-CYBMUJFWSA-N	259.349	2.989	70	20	CFID	
CC[C@@H](NC(=O)c1cccnc1)c1c(C)noc1C	160123827	VHWLANJEGILXHQ-GFCCVEGCSA-N	259.309	2.568	70	20	CFID	
Cn1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1	160275125	LDDQDINLKOFZKP-UHFFFAOYSA-N	285.372	2.869	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1C	160324903	WYEICDJUIAFQMY-ZIAGYGMSSA-N	291.391	2.947	70	20	CFID	
c1ccc([C@H]2C[C@@H](Nc3ncccn3)CCO2)cc1	160617497	QZVKBYMQSWSAEX-UONOGXRCSA-N	255.321	2.809	70	20	CFID	
COc1ncccc1C(=O)OCc1nc(C)sc1C	159809324	HBRVIIHIARRPMX-UHFFFAOYSA-N	278.333	2.521	70	20	CFID	
CCO[C@H]1C[C@@H](N(C)C(=O)c2ccccc2O)C12CCC2	159479799	YKTQLOLUWRHJST-CABCVRRESA-N	289.375	2.812	70	20	CFID	
O=C(CC[C@@H]1CCOC1)NCCc1cc2ccccc2[nH]1	159678241	UTPWSXNPGBLFPH-CYBMUJFWSA-N	286.375	2.643	70	20	CFID	
CCCNC(=O)Nc1ccc(CCC(=O)OCC)cc1	159581995	KMCPYKOMRIICGW-UHFFFAOYSA-N	278.352	2.714	70	20	CFID	
Cc1ccc(C(=O)CCN(C)C[C@H]2CCOC2)cc1	160026444	BRGLELLQJAPUCA-CQSZACIVSA-N	261.365	2.536	70	20	CFID	
CCc1nn(C)cc1CNc1ccc(F)c(OC)c1	160082906	XTUBQZDDEBKQGM-UHFFFAOYSA-N	263.316	2.742	70	20	CFID	
Cc1cccc(CCC(=O)NCC2(CO)CCCC2)c1	160307062	GOTFBLATNARUKN-UHFFFAOYSA-N	275.392	2.597	70	20	CFID	
COc1cc(NC(=O)CCCCCCN)ccc1F	160355544	BAKBJOMNWWUXOZ-UHFFFAOYSA-N	268.332	2.682	70	20	CFID	
Cc1ccc(-c2cc(C(=O)NN3CCCCC3)[nH]n2)cc1	218088489	NSRPXNSKQDAJIP-UHFFFAOYSA-N	284.363	2.516	70	20	CFID	
CCCN(CCC)C(=O)c1cccc(S(=O)(=O)F)c1	1262673421	MWTLQWRXYFPNSL-UHFFFAOYSA-N	287.356	2.607	70	20	CFID	
CN1CC(C)(C)Cc2cccc(S(=O)(=O)Cl)c21	202026039	YOZMHGAPPLKWLU-UHFFFAOYSA-N	273.785	2.633	70	20	CFID	
CCOc1cccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	161091437	PMKGABLADAQBAK-BJHJDKERSA-N	278.352	2.510	70	20	CFID	
CCc1ccc([C@H](C)C(=O)N[C@@H](CO)CC(C)C)cc1	161161307	NXODAWQVDCECMK-XJKSGUPXSA-N	277.408	2.876	70	20	CFID	
C[C@H](C(=O)N[C@H]1CCC[C@H](N)C1)c1ccc(Cl)s1	161229681	AGLJGRXZGWCXEN-GUBZILKMSA-N	286.828	2.891	70	20	CFID	
CCCn1nccc1CNc1cccc(C(=O)NCC)c1	160015211	LYOZRDSXKUQESE-UHFFFAOYSA-N	286.379	2.655	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1c[nH]nc1C	160244682	PPFGHZIJLMPVHS-UHFFFAOYSA-N	284.363	2.531	70	20	CFID	
O=C([C@@H]1CCn2ccnc2C1)N1CCC[C@H]1C1CCCC1	160261232	LYSPVEPXQUGGDR-CABCVRRESA-N	287.407	2.627	70	20	CFID	
COc1ccc(Cl)c(NC(=O)N2CCC[C@](C)(O)C2)c1	160276329	VYKUZANRPDJVPY-AWEZNQCLSA-N	298.770	2.727	70	20	CFID	
CC(C)(C)[C@H](N)C(=O)NCC1(c2cccc(Cl)c2)CC1	160546287	ISCJDXUHIYJAOY-CYBMUJFWSA-N	294.826	2.861	70	20	CFID	
Cc1nc(-c2cccnc2)sc1[C@H](C)NCC(C)(C)O	160626474	LTDIJBAJGFIUFL-JTQLQIEISA-N	291.420	2.935	70	20	CFID	
CC[C@@H](C)N(C)CCNC(=O)Nc1ccc(C(C)=O)cc1	217402272	YZYKWBLKPOCNTG-GFCCVEGCSA-N	291.395	2.741	70	20	CFID	
CCN(CC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	159848361	MMDAROKOPLTGSQ-GOEBONIOSA-N	289.423	2.701	70	20	CFID	
CC[C@H](CO[C@H](C)C(F)(F)F)CS(=O)(=O)Cl	117164886	ZLHLIEHETYDJIL-RNFRBKRXSA-N	282.711	2.549	70	20	CFID	
CC(C)C[C@H]1CCCN(C(=O)c2ncccc2O)C1	161056523	MMZWRBDVOJULFS-GFCCVEGCSA-N	262.353	2.686	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)c1c(C)noc1C	160230031	DWKKTZXOVZTDEH-ZDUSSCGKSA-N	286.331	2.717	70	20	CFID	
NCCCCCCC(=O)NC1(c2cccc(F)c2)CC1	160523695	LGSYKBBSZAOUDE-UHFFFAOYSA-N	278.371	2.840	70	20	CFID	
O=C(NCC1CC1)N1CCC[C@@H](Nc2ccccc2)C1	160885505	VTVJTKIFKGXGLO-OAHLLOKOSA-N	273.380	2.683	70	20	CFID	
C[C@H](NC[C@@H]1CCc2ccccc21)c1cnn(C)c1	160975488	NOLSTCFZUPXMBL-JSGCOSHPSA-N	255.365	2.801	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)N[C@H](C)C2CCC2)c1	159821300	SAVABEASFLOXEI-SNVBAGLBSA-N	275.352	2.955	70	20	CFID	
CC[C@@H](C)CN(C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C	159657763	JDFABBGKHSKPDH-SECBINFHSA-N	280.368	2.536	70	20	CFID	
CCCc1nnc(NC(=O)N[C@@H](C)C2CCC2)s1	159707192	GTDZKPGKQGKGRF-QMMMGPOBSA-N	268.386	2.801	70	20	CFID	
CSC[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159759527	FFTOQXYYKZULQW-VXGBXAGGSA-N	271.426	2.594	70	20	CFID	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@@H](C)c1nccs1	159797365	OHNUYHOBBXLNLX-BDAKNGLRSA-N	292.408	2.506	70	20	CFID	
Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cn1	160196061	WJXMWAQRWYVNCZ-UHFFFAOYSA-N	271.364	2.675	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)c1ccc2c(c1)CCCC2	160571524	GRZGCFQEOAUSHZ-MRXNPFEDSA-N	275.392	2.702	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)Cc1c(F)cccc1Cl	160773588	OPTHNDCXVXKJFV-CYBMUJFWSA-N	287.762	2.545	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@H](C)[C@@H]2CO)cc1	160944017	BPRMELUYDQDIOK-HOCLYGCPSA-N	275.392	2.661	70	20	CFID	
COc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(F)c1	218434158	QIQSJTCNUIVCHD-QWRGUYRKSA-N	265.328	2.952	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)CCCOCc1ccccc1	160633855	ULQCOEAJGQPBKN-MRXNPFEDSA-N	293.407	2.507	70	20	CFID	
CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	809281768	XVGAGPGPKHZVHW-VHSXEESVSA-N	287.356	2.966	70	20	CFID	
C[C@@H](N)CN[C@H](C)Cc1ccc(C(F)(F)F)cc1	218302297	WLDBTXAXXDAOQJ-NXEZZACHSA-N	260.303	2.573	70	20	CFID	
CC[C@@H](C(=O)N1CC[C@@]2(CCOC2)C1)c1ccc(F)cc1	161004802	KFFHDQPIBXSRFD-NVXWUHKLSA-N	291.366	2.958	70	20	CFID	
CC[C@H](SCc1nc(N)nc(N)n1)c1ccc(F)cc1	161305619	FIVPKSJUGFVJDE-JTQLQIEISA-N	293.371	2.560	70	20	CFID	
CCCN1CCC(NCc2ccc(OC(C)C)nc2)CC1	160030959	KDBCDAISMJVCJO-UHFFFAOYSA-N	291.439	2.833	70	20	CFID	
O=C(OCc1cc(Cl)c2c(c1)OCO2)[C@@H]1CCCCO1	160170080	VMSUFEANCNYQOO-NSHDSACASA-N	298.722	2.681	70	20	CFID	
CC(C)[C@H]1CCCC[C@H]1NCc1cc(=O)n2ccccc2n1	160356612	IMRPBCLVHXSQDE-HZPDHXFCSA-N	299.418	2.999	70	20	CFID	
CN(Cc1cccn1C)C(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2	160429354	KONXHLLDWPPIFB-MGPQQGTHSA-N	260.381	2.810	70	20	CFID	
CCc1nc(CNC2(c3ccccc3)CCCC2)n[nH]1	160434886	ZMVYWANZZKQMGF-UHFFFAOYSA-N	270.380	2.926	70	20	CFID	
C[C@H](OCC1CC1)C(=O)Nc1cccc(OCCF)c1	160476618	KJDUWTHKQLWTTK-NSHDSACASA-N	281.327	2.789	70	20	CFID	
CCOc1ccc(CC(=O)N(C)Cc2cccn2C)cc1	160511396	HSSVSOUWWLBMIT-UHFFFAOYSA-N	286.375	2.625	70	20	CFID	
CCCC1(CNC(=O)c2cc(C(C)C)n(C)n2)CC1	160721360	CANOOQRJSHKXAG-UHFFFAOYSA-N	263.385	2.854	70	20	CFID	
CC1(C)CCC[C@H](NC(=O)NCC(F)(F)F)C1	160722643	UQEFNSWBHRNPFA-QMMMGPOBSA-N	252.280	2.817	70	20	CFID	
CN(CCCCS(C)(=O)=O)Cc1ccc(Cl)s1	161222312	ZOSURZGEVVCWTC-UHFFFAOYSA-N	295.857	2.658	70	20	CFID	
Cc1cccc(C)c1CCNC(=O)N[C@H](C)[C@@H]1CCCO1	159801787	LDBCLBPHXGCFIB-ZBFHGGJFSA-N	290.407	2.713	70	20	CFID	
C[C@@H](CC1CC1)NC(=O)N1CCC[C@H](N2CCCC2)CC1	159843732	YTGUDDYNTSIBKG-HOCLYGCPSA-N	293.455	2.835	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C)C1CCOCC1	159456854	CWKKGTWXWRQGKK-QWRGUYRKSA-N	294.395	2.716	70	20	CFID	
CCOc1cc(C(=O)NCC2(N)CCCCC2)ccc1C	159545634	YTJDIRNOVHZQHQ-UHFFFAOYSA-N	290.407	2.785	70	20	CFID	
CCCn1nccc1CNc1ccc(CN(C)C)cc1	160082714	WYIJIYVIIDFTHM-UHFFFAOYSA-N	272.396	2.967	70	20	CFID	
CCc1cc(O)nc(CN(C)C2CCC(C)CC2)n1	160561117	NFTMSDAVOGVMCU-UHFFFAOYSA-N	263.385	2.755	70	20	CFID	
Cc1ccc([C@@H](C)NCC(=O)NCC(F)(F)F)cc1C	160557834	GROSXGPCVGQTEZ-LLVKDONJSA-N	288.313	2.633	70	20	CFID	
CCC[C@@H](COC(C)(C)C)CS(=O)(=O)Cl	114476593	NHBOJBPFRXGCEV-VIFPVBQESA-N	256.795	2.786	70	20	CFID	
C[C@H]1CN(C)CC[C@@H]1NCC1(c2ccc(F)cc2)CC1	161360805	QNTZHAHNBGIYIH-BBRMVZONSA-N	276.399	2.787	70	20	CFID	
CCN(C(=O)[C@H]1CCCCO1)c1ccc(F)cc1	160146176	OGURZDIZLIHVLX-CYBMUJFWSA-N	251.301	2.748	70	20	CFID	
CCC(CC)CN(CC)C(=O)c1c(C)nn(C)c1C	160212631	OBNXUOOTJDFMRG-UHFFFAOYSA-N	265.401	2.935	70	20	CFID	
CC[C@@H](NC(=O)c1cc[nH]c1C)c1c(C)noc1C	160268044	COHGJZBFDUTOAI-GFCCVEGCSA-N	261.325	2.809	70	20	CFID	
CC(C)c1csc(CNC(=O)c2ccccc2O)n1	160574540	HLKWOPYILQHHAT-UHFFFAOYSA-N	276.361	2.902	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H]1C	160606165	UGUNCEHINHKTGN-IUCAKERBSA-N	290.289	2.708	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCS1	160652250	CEQXXGCMKOYKRC-STQMWFEESA-N	283.437	2.880	70	20	CFID	
CN(C)c1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1	160660489	XOVQQALBXJXSRF-CABCVRRESA-N	298.390	2.875	70	20	CFID	
COC(=O)c1csc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1	160704687	ACLILMHADXMERY-UWVGGRQHSA-N	294.376	2.799	70	20	CFID	
C[C@H](SCc1ccccc1)C(=O)N[C@H]1CCC[C@H](N)C1	160863521	XDDSJFFPQWIMGU-QEJZJMRPSA-N	292.448	2.694	70	20	CFID	
CCc1noc(C)c1CNc1cc(C(N)=O)ccc1C	159425663	HRENEVGCUSXSCH-UHFFFAOYSA-N	273.336	2.565	70	20	CFID	
Cc1ccccc1[C@H](NC(=O)[C@H]1CCCNC1)C(C)C	159690223	JXDMYDOHMFEQBZ-GOEBONIOSA-N	274.408	2.808	70	20	CFID	
CCCn1nccc1CNC[C@@H]1Cc2ccccc21	160088572	IDKCXRKFICGTCH-AWEZNQCLSA-N	255.365	2.723	70	20	CFID	
COc1cccc(N2N=C(c3ccccc3)CC2=O)c1	160981118	COVRPJUWGOUKDB-UHFFFAOYSA-N	266.300	2.836	70	20	CFID	
NC[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1	161199004	NZPMGTXOICXRTO-SNVBAGLBSA-N	292.379	2.851	70	20	CFID	
C[C@@H](c1ccccc1F)N1CCC[C@@H](N(C)C)C1	217139420	ZXFWBBOKZQQAME-QWHCGFSZSA-N	250.361	2.913	70	20	CFID	
CC1(C)C[C@@H](NC(=S)NC2CCCCC2)CCO1	159589991	VLPMGQYJRMEXCH-LBPRGKRZSA-N	270.442	2.741	70	20	CFID	
Cc1c(C(=O)Cl)cc(Cl)cc1S(=O)(=O)Cl	159136335	AUPNHJBPAKLBIR-UHFFFAOYSA-N	287.551	2.955	70	20	CFID	
CS[C@H](C)CC(=O)NCCN1c2ccccc2C[C@@H]1C	161484626	MUSFUTSGKRBDOA-QWHCGFSZSA-N	292.448	2.695	70	20	CFID	
Cc1ccc(NC(=O)[C@@H](C)N)cc1OCCC(C)C	161509689	RIXGGRONWOANJS-GFCCVEGCSA-N	264.369	2.706	70	20	CFID	
C[C@H]1C[C@@H](C)CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C1	160048046	ZPCVMRRRBCFXQF-STQMWFEESA-N	298.390	2.980	70	20	CFID	
C[C@@H]1CCN(C(=O)NCc2ccc(O)cc2)C[C@@H]1C	160129099	AIHDRVLMPDAAQT-NEPJUHHUSA-N	262.353	2.580	70	20	CFID	
CCC[C@H](C(=O)N1CCOc2ncccc21)C(C)C	160150420	OKDWSQJHCLLFOE-LBPRGKRZSA-N	262.353	2.879	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1	160173103	GUCFFJWPFQHZHP-UKRRQHHQSA-N	298.390	2.710	70	20	CFID	
CCN(C)Cc1cccc(CNC(=O)C[C@H](C)SC)c1	160857343	SBNANJWWUNAYMK-ZDUSSCGKSA-N	294.464	2.896	70	20	CFID	
Cc1ccc([C@@H]2CSCCN2CCn2ccnc2)cc1	159832129	AGJBAPVJCXJNGM-INIZCTEOSA-N	287.432	2.982	70	20	CFID	
CCC[C@@](C)(O)C(=O)NCc1csc(-c2ccco2)n1	159440626	XIRMEPHIPCOQIS-CQSZACIVSA-N	294.376	2.570	70	20	CFID	
CC(C)[C@H](O)C(C)(C)CNC(=O)NCC1(C(C)C)CC1	159648171	WWWMJLBKQZLPHN-ZDUSSCGKSA-N	284.444	2.765	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)Cc1cn2ccccc2n1	159675401	OLRRXTZKPQAXCM-JSGCOSHPSA-N	271.364	2.572	70	20	CFID	
COc1cc([C@H](C)NCCO)ccc1SC(F)F	159713972	SKIVCAJPORCNBP-QMMMGPOBSA-N	277.336	2.653	70	20	CFID	
Cc1nccc(NC(=O)N(C)C[C@@H]2CCOC2)c1Cl	159750742	XDEDXRFGUPNYOE-JTQLQIEISA-N	283.759	2.544	70	20	CFID	
CCCCOCCSc1nnc(-c2ccccn2)n1C	159563067	KUDSXAGESWAJMO-UHFFFAOYSA-N	292.408	2.786	70	20	CFID	
CC(C)(C)c1ncc(C(=O)NCC2(N)CCCCC2)s1	159761783	FFHUVFPMJDVRFV-UHFFFAOYSA-N	295.452	2.832	70	20	CFID	
Fc1ccc(CSCCN2CCOCC2)cc1F	159768590	WZZQOVJETYHFGJ-UHFFFAOYSA-N	273.348	2.530	70	20	CFID	
CO[C@]1(CNCC[C@H](C)c2ccccc2)CCOC1	160079631	DXNOXQKWOSYIBC-HOCLYGCPSA-N	263.381	2.575	70	20	CFID	
CC(C)S(=O)(=O)CCCN1C[C@H](C)c2ccccc21	160858545	YIBHONWQJVKPOV-ZDUSSCGKSA-N	281.421	2.823	70	20	CFID	
CC(C)S(=O)(=O)CCCN1CCC[C@H]1C1CCCC1	160968266	IIZULWJSHRIUFP-HNNXBMFYSA-N	287.469	2.854	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(OC)cc1F	218104101	HEQWAEBPXSLKAS-NXEZZACHSA-N	253.317	2.999	70	20	CFID	
C[C@@H](CN[C@H]1CCCc2cccnc21)N(C)C1CC1	217596274	RZYUUSKRARDKOV-WFASDCNBSA-N	259.397	2.531	70	20	CFID	
O=S(=O)(Cl)c1cc(-c2ccccc2Cl)no1	521400097	APVVXGGONOOLHG-UHFFFAOYSA-N	278.116	2.923	70	20	CFID	
COc1cc(F)c(C(=O)N2CCC[C@@H](C)C2)cc1OC	161160179	QTFHPDBUCIWFPF-SNVBAGLBSA-N	281.327	2.715	70	20	CFID	
CCC[C@H]1CN(C(=O)N[C@H](CC)CCC)CCO1	160683544	SMZJJFOMSPHHKF-OLZOCXBDSA-N	256.390	2.776	70	20	CFID	
CCC(=O)c1cccc(NC(=O)c2ncccc2O)c1	160727999	SKDLJRUKJKCCEI-UHFFFAOYSA-N	270.288	2.632	70	20	CFID	
Cn1ccnc1CN1CCC[C@H](c2nc3ccccc3o2)C1	160776644	SLNSJBBXACADIH-ZDUSSCGKSA-N	296.374	2.941	70	20	CFID	
CSCC[C@@H](C)N(C)c1ccc(C(C)=O)cn1	160816758	BUCAJQDUSXOWDI-SNVBAGLBSA-N	252.383	2.862	70	20	CFID	
CCc1nnc(COc2ccccc2OC(F)F)o1	160840032	DMZNTUWMVWVPGM-UHFFFAOYSA-N	270.235	2.812	70	20	CFID	
COC(=O)c1ccc(NC(=O)N[C@H](C)C2CCC2)cc1	160869333	LFCGAGOTMNIWDD-SNVBAGLBSA-N	276.336	2.783	70	20	CFID	
COCCC(=O)N1C[C@H](C)CSc2ccccc21	159693873	XKVXDJQAIQRDNV-NSHDSACASA-N	265.378	2.798	70	20	CFID	
CC(C)C[C@@H]1CCCCCN1C(=O)C[C@@H]1CCCN1	159919346	VBDCLWPUNKNGCX-GJZGRUSLSA-N	266.429	2.946	70	20	CFID	
CC[C@H]1CN(C(=O)[C@@H](C)c2cccs2)C[C@H](C)O1	159782547	AIEDWXPWSPZWDF-SRVKXCTJSA-N	267.394	2.878	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1cccs1	159658007	BLZOXSDDKTUGJO-JSGCOSHPSA-N	278.421	2.629	70	20	CFID	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN)cc1	159878813	AYNKDUWENGMRDU-WQVCFCJDSA-N	272.392	2.939	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(CNC(C)C)n1	159965133	KDTWDPXJFCFFFY-CQSZACIVSA-N	275.352	2.694	70	20	CFID	
CCOCCCN1CCC[C@@H](c2nccs2)C1	160004766	GAGWZCIVCNNJMQ-GFCCVEGCSA-N	254.399	2.749	70	20	CFID	
Cc1ccc(C)c(CC(=O)NCC2(CO)CCCC2)c1	160296150	PGSYAEAJHVMMST-UHFFFAOYSA-N	275.392	2.515	70	20	CFID	
Cc1ccc(C(=O)CCN(C)[C@@H](CO)C(C)(C)C)cc1	160904243	YKQWATKEVNRXSP-INIZCTEOSA-N	277.408	2.907	70	20	CFID	
O=C(c1ccc2ccccc2c1)N1CCc2ncncc2C1	218065174	ONPFUVOZJIHISC-UHFFFAOYSA-N	289.338	2.828	70	20	CFID	
Clc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1	159649124	XNIGWSPBNSIARK-YUTCNCBUSA-N	278.783	2.782	70	20	CFID	
CCc1nc(CN2CCC[C@@H]2c2cccc(C)n2)no1	160420662	KFHUZMJLDSUSFJ-CYBMUJFWSA-N	272.352	2.673	70	20	CFID	
C[C@H](CN[C@@H]1CCCc2ccc(O)cc21)N(C)C1CC1	217560116	PRAKNHIEYHHTJA-SJKOYZFVSA-N	274.408	2.842	70	20	CFID	
COC[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	161149408	GIHYPISAXFJKKU-MEDUHNTESA-N	277.364	2.533	70	20	CFID	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1CC1(C)C	160038910	VKFDRJRJRHSJDO-STYXZAMGSA-N	293.432	2.990	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CC[C@H](C)C[C@H](C)C1	160067778	XWXYDVGTWPEVKV-KBPBESRZSA-N	298.427	2.796	70	20	CFID	
COc1cccc([C@H](C)CC(=O)N[C@@H](CO)CC(C)C)c1	160850893	LRUIXTUZRWXPQA-UKRRQHHQSA-N	293.407	2.712	70	20	CFID	
C[C@@H]1CCC[C@@H](NC(=O)N(C)CCC(=O)OC(C)(C)C)C1	160914461	OJDPEQHLJAESQM-CHWSQXEVSA-N	298.427	2.938	70	20	CFID	
CCC(CC)n1ncc(C(=O)NCCCCOC)c1C	159407676	IFPZWNPTRXNPMQ-UHFFFAOYSA-N	281.400	2.709	70	20	CFID	
CCCCN(CC)C(=O)Nc1ccnn1C[C@H]1CCOC1	159604716	PLDNFEUSLCTXRK-CYBMUJFWSA-N	294.399	2.574	70	20	CFID	
Cc1ccc(C[C@@H]2CCCN2CCn2ccnc2)cc1	159826422	MQPPJDMRSNXIBQ-KRWDZBQOSA-N	269.392	2.899	70	20	CFID	
CCC[C@@](C)(O)C(=O)Nc1cc(C2CCCCC2)nn1C	159452494	SVLLGCVBKOYLAZ-MRXNPFEDSA-N	293.411	2.957	70	20	CFID	
CC(C)Oc1cc(CNC(=O)NCC2(C)CCC2)ccn1	159481006	KCUVLFMIUOXKSO-UHFFFAOYSA-N	291.395	2.858	70	20	CFID	
CCc1ccc(CC(=O)NC2CCN(C3CC3)CC2)cc1	159366325	WMMPWMIFSSHADB-UHFFFAOYSA-N	286.419	2.535	70	20	CFID	
CCCCCOCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159987608	RBIBOUSQKYFHGR-CQSZACIVSA-N	283.412	2.801	70	20	CFID	
CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(N)c2)C1	159574130	AQTIWJVYRZRRAN-OLZOCXBDSA-N	278.421	2.981	70	20	CFID	
CCCC[C@@H](CC)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159891694	FANXCTKHGDYZJE-MCIONIFRSA-N	252.402	2.556	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CC=CCC1	185108956	OUWOUSNZVPKQST-JTQLQIEISA-N	283.324	2.640	70	20	CFID	
CN(CCOc1cccc(Cl)c1)CCn1ccnc1	159689961	TUKPHIUZFHFEDV-UHFFFAOYSA-N	279.771	2.547	70	20	CFID	
Cc1ccc(F)cc1NC(=O)NCCCC(=O)OC(C)C	161015749	DRCIHWPFYJFGMJ-UHFFFAOYSA-N	296.342	2.987	70	20	CFID	
c1nc(N[C@H]2CCCc3sccc32)c2cn[nH]c2n1	161062858	XQLYYRPGINZHPB-JTQLQIEISA-N	271.349	2.904	70	20	CFID	
C[C@H]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)CN1C1CC1	161105757	QTGLZDHKLQFNKF-GXTWGEPZSA-N	278.440	2.944	70	20	CFID	
O=C(NCc1cccc(Cl)c1)NO[C@@H]1CCCCO1	161142060	BHQRMVSMDVRBMY-GFCCVEGCSA-N	284.743	2.597	70	20	CFID	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@H](C)N)cc1	161234082	AURGJYPCEQUJAM-YDHLFZDLSA-N	260.381	2.642	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1	160060254	REXDTCVNZUYRKN-KBPBESRZSA-N	294.439	2.530	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCCN2CCCCCC2)C1	160222175	XOLCUAVEMPATRO-HUUCEWRRSA-N	266.429	2.805	70	20	CFID	
NC[C@@H]1CCCN1C(=O)/C=C/c1cc(Cl)ccc1Cl	160241021	CUKVPFSGLLIYGC-UXONFWTHSA-N	299.201	2.956	70	20	CFID	
CS[C@@H](C)CNC(=O)NCc1ccn(C2CCCC2)n1	160794157	UVDSSYCEWKXSHV-NSHDSACASA-N	296.440	2.549	70	20	CFID	
COC(=O)C1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1	160993315	BDCNFXOBWBFDSN-BFHYXJOUSA-N	293.407	2.805	70	20	CFID	
CCCOc1ccccc1NC(=O)[C@@H]1CCCCO1	159889019	NNJPNKNXJXDCBN-AWEZNQCLSA-N	263.337	2.983	70	20	CFID	
CCCOC(=O)[C@H](C)Nc1ccccc1O[C@H]1CCOC1	159917395	KRNLRGMRUFMMOJ-STQMWFEESA-N	293.363	2.608	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccncc2)cc1F	159538408	OSOQEYUSBJYASV-UHFFFAOYSA-N	260.268	2.506	70	20	CFID	
CCOc1ccc(OCCN(C)C[C@@H]2CCC[C@@H]2O)cc1	159567157	ZQHBZXDFQNNFKM-YOEHRIQHSA-N	293.407	2.557	70	20	CFID	
Cc1n[nH]c(C)c1CN[C@H](C)c1ccc([S@@](C)=O)cc1	159589416	LZWMNITWLGYTJZ-SBKAZYGRSA-N	291.420	2.615	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCCc3cc(N)ccc32)o1	159374247	MKIIQBLAMIDJHK-AWEZNQCLSA-N	270.332	2.978	70	20	CFID	
CC(C)OCCNC[C@@H](O)c1cccc(C(F)(F)F)c1	160204922	ZRPDOASQIRBLDA-CYBMUJFWSA-N	291.313	2.753	70	20	CFID	
CCOCCC1(C(=O)Nc2ccc3c(c2)OCO3)CCC1	161089477	VWQAVLHIAHPFKF-UHFFFAOYSA-N	291.347	2.951	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)ncn1	161226794	PPMZIVYDACQZBS-UHFFFAOYSA-N	275.739	2.711	70	20	CFID	
CC(C)c1ccsc1C(=O)N[C@H]1CCC[C@@H](N)C1	161291650	CMJSVXMVESCXLW-MNOVXSKESA-N	266.410	2.871	70	20	CFID	
Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](N)C3)on2)cc1	161506666	SKJNALHEHHAHOH-ZIAGYGMSSA-N	299.374	2.650	70	20	CFID	
C[C@H](NCCCc1nc2c(s1)CCCC2)[C@H]1CCOC1	160590768	OLECDFYMABUREJ-STQMWFEESA-N	294.464	2.969	70	20	CFID	
CCCCOCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160679476	WZNXFXFEXGGIAH-AWEZNQCLSA-N	283.412	2.801	70	20	CFID	
C[C@H](NC(=O)Nc1ccn(C)n1)c1cccc(F)c1F	160754513	YYZFBVMQEIOVBG-QMMMGPOBSA-N	280.278	2.581	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCCN1	159712153	NUCKGCZHXGUACW-JYJNAYRXSA-N	272.392	2.581	70	20	CFID	
CCCCN(C)C(=O)c1cccc(NC(=O)N(C)C)c1	159370596	UJRBCDSONDNMSF-UHFFFAOYSA-N	277.368	2.652	70	20	CFID	
CCN1CCC(NC(=O)[C@@H](C)OC2CCCCCC2)CC1	159585590	GHPOQENKKNLMJQ-CQSZACIVSA-N	296.455	2.715	70	20	CFID	
CN(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	159682865	KVYQRBOSHHYKTP-HOCLYGCPSA-N	272.392	2.914	70	20	CFID	
CCOc1ccc(CN(C)[C@@H]2CCCC[C@@H]2O)cc1	161074656	GHWDOFKOVXGXIQ-CVEARBPZSA-N	263.381	2.821	70	20	CFID	
COC(=O)c1cccc(CNc2ccnc(C(C)C)n2)c1	161296807	AFDYFRXQDPPPNH-UHFFFAOYSA-N	285.347	2.999	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@]2(C)CCCO2)c1C	160187876	IUHIGXGPPGRZJN-HNNXBMFYSA-N	294.399	2.682	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)CC3CCC3)[nH]2)o1	160211492	SAJVZRPTPRGPND-UHFFFAOYSA-N	260.297	2.502	70	20	CFID	
Cc1cc(C)cc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c1	160304346	WAUHNLWUTJDOFP-CJNGLKHVSA-N	284.407	2.869	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](CC(C)C)c1ccccn1)CC2	160323739	YWJSOMDVLDJQSG-ZBFHGGJFSA-N	299.422	2.673	70	20	CFID	
CCc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)s1	160559600	XGBVGMAGNYDWBC-PWSUYJOCSA-N	290.436	2.876	70	20	CFID	
C[C@@H](C(=O)N(C)Cc1cccn1C)c1cccc(F)c1	160733419	NEUJRERWZHRFHJ-GFCCVEGCSA-N	274.339	2.926	70	20	CFID	
COCCN(CC(C)C)c1ccnc(C(C)C)n1	160912126	AMLRTOGLBPDXCK-UHFFFAOYSA-N	251.374	2.709	70	20	CFID	
CN(Cc1cc(F)cc2cccnc12)C[C@@H]1CCC[C@@H]1O	159842003	YNTWOIABUVDHCC-BBRMVZONSA-N	288.366	2.967	70	20	CFID	
OCC1(CNCc2ccc3ncccc3c2)CCCC1	160074376	XEZRTTDUSKTHLE-UHFFFAOYSA-N	270.376	2.877	70	20	CFID	
Cc1cn2c(CNCC3(CO)CCCC3)c(C)nc2s1	160102959	UHXIMTZDTLYXAC-UHFFFAOYSA-N	293.436	2.655	70	20	CFID	
C[C@@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093522	PGEVYRNKIBXCLZ-NXEZZACHSA-N	285.340	2.720	70	20	CFID	
COc1cccc([C@H](C)N[C@@H]2CCN3CCCC[C@@H]23)c1	217684504	OTNOQBNXTHAQBU-XKQJLSEDSA-N	274.408	2.973	70	20	CFID	
COC(=O)c1ccc(N2CCc3ccsc3C2)nc1C	161023090	RCUBZOGCCAJYSO-UHFFFAOYSA-N	288.372	2.801	70	20	CFID	
CCN(C)C(=O)Nc1cnn(CCC(C)C)c1C	161313319	PGGJVPBHPIFVME-UHFFFAOYSA-N	252.362	2.721	70	20	CFID	
Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)ccc1C(N)=O	161345744	TYNFZUHHCNRRGL-PWSUYJOCSA-N	289.379	2.604	70	20	CFID	
COCCN(CC(C)C)C(=O)Nc1ccc(C)nc1	161504187	NJASLHCJCMOVHE-UHFFFAOYSA-N	265.357	2.526	70	20	CFID	
O=C(NCC1(C2CC2)CCC1)c1cccc(-c2ncn[nH]2)c1	160001050	HNJATYZNPDZPGC-UHFFFAOYSA-N	296.374	2.782	70	20	CFID	
Cc1noc(C)c1CSCC(=O)NCC1(C2CC2)CC1	160079674	PCRRHISUQANMQY-UHFFFAOYSA-N	294.420	2.831	70	20	CFID	
CCOC(=O)NCCCC(=O)N1CCC[C@@H]1C1CCCC1	160250191	NGVRHFGIXXTYBA-CQSZACIVSA-N	296.411	2.694	70	20	CFID	
O=C(Nc1nncs1)C1(Cc2ccccc2)CCC1	160297786	PJULTHBNYGTCDP-UHFFFAOYSA-N	273.361	2.890	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)NCCOc1ncccc1Cl	160392992	QGEHUGYRLNEUDH-LLVKDONJSA-N	299.802	2.848	70	20	CFID	
CC(C)(O)CN[C@H]1CCC[C@H]1c1ccc(F)cc1	160632714	CQGOZSYFCBJXBY-KBPBESRZSA-N	251.345	2.822	70	20	CFID	
CS[C@H](C)CNC(=O)NCCc1cc2ccccc2[nH]1	160808240	RHVDDQVYBXZLEU-LLVKDONJSA-N	291.420	2.761	70	20	CFID	
CCOc1cccc(C(=O)N(C)Cc2cccn2C)c1	160881693	LXSTWVUMVDRWDL-UHFFFAOYSA-N	272.348	2.696	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C1(Cc2ccccc2)CCC1	160974360	YBPGLLVBIXSUFG-MRXNPFEDSA-N	289.419	2.923	70	20	CFID	
CC(C)Cc1nc(C(=O)NCC2(N)CCCCC2)cs1	159674254	RDXMZTBJKFAFNT-UHFFFAOYSA-N	295.452	2.733	70	20	CFID	
COC[C@@H](NC[C@@H](C)N1CCc2ccccc21)C(C)C	159931487	WVFFZWWFFHBMQC-GDBMZVCRSA-N	276.424	2.698	70	20	CFID	
COc1ccc(NC(=O)c2ccc(C(C)C)nc2)cn1	159551327	PKDKDZGTVOJJQB-UHFFFAOYSA-N	271.320	2.861	70	20	CFID	
CO[C@@H](C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159983881	CYYILSQJWQKPGR-XJKSGUPXSA-N	284.359	2.631	70	20	CFID	
COc1ccc(Cl)cc1[C@H](C)NCC(=O)NC(C)C	160988367	LPGLBUBMHSZROS-JTQLQIEISA-N	284.787	2.524	70	20	CFID	
CCCN(C(=O)c1ccc(S(=O)(=O)F)cc1)C(C)C	865211755	ZEHSRUYNVWKIGC-UHFFFAOYSA-N	287.356	2.605	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1CO)c1cc2c(F)cccc2s1	217904672	JPVVRPYGXSTUNH-CABZTGNLSA-N	293.363	2.931	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1nc(C)no1	161228978	LFTDUZJALLDTNL-OLZOCXBDSA-N	279.384	2.738	70	20	CFID	
CC(C)C[C@@H](N)C(=O)N(C)Cc1cc2ccccc2o1	161413365	CITKMWSJKGKNTC-CQSZACIVSA-N	274.364	2.765	70	20	CFID	
Cc1noc(C)c1N(C)C(=O)Nc1cnc(C2CC2)nc1	160014387	PWKYJFKRNCUTMT-UHFFFAOYSA-N	287.323	2.627	70	20	CFID	
COc1cccc(CCNC(=O)C[C@H](C)c2ccncc2)c1	160058292	OCACPOWJPBBUEB-AWEZNQCLSA-N	298.386	2.943	70	20	CFID	
CC[C@H]1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1	160079019	HPYGDGOMZGREDS-AWEZNQCLSA-N	298.390	2.838	70	20	CFID	
COc1cccc(CCCN(C)CC(=O)OC(C)(C)C)c1	160122254	WLJVQAIOJZKJND-UHFFFAOYSA-N	293.407	2.901	70	20	CFID	
COc1cc(NC(=O)C[C@H](C)[C@@H]2CCCNC2)ccc1F	160332893	DVEOVNWBKMQILH-NWDGAFQWSA-N	294.370	2.799	70	20	CFID	
O=C(C[C@@H]1CCCN1)Nc1ccc(F)cc1OCC1CC1	160679207	OCMQOKHLWPZLDA-ZDUSSCGKSA-N	292.354	2.695	70	20	CFID	
CS[C@H](C)CNC(=O)NC[C@H]1[C@H]2Cc3ccccc3[C@H]12	160730010	KYNIWGUIPVBYLI-RABLLNBGSA-N	290.432	2.623	70	20	CFID	
C(=C/c1ccccc1)\CSCCN1CCOCC1	159930478	CMLZRKUNGYNWKO-QPJJXVBHSA-N	263.406	2.765	70	20	CFID	
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NCC1(C2CC2)CC1	159361915	NRFQFBKBIVRSHB-UKRRQHHQSA-N	294.439	2.927	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)c1Cl	159393511	GWUPBWIXHJBYIZ-MWLCHTKSSA-N	297.786	2.811	70	20	CFID	
CN(Cc1noc(C2CCOCC2)n1)c1ccccc1	160672386	CZZUBKCPVQUQJY-UHFFFAOYSA-N	273.336	2.600	70	20	CFID	
C[C@@H](CN[C@@H](C)c1cnn(C)c1)COCc1ccccc1	161299307	FZBSKHREYHZCCD-GJZGRUSLSA-N	287.407	2.924	70	20	CFID	
C[C@@H](CC(=O)NC[C@@H]1CCOC1)c1ccc(F)cc1F	161104205	POSBCDIFMPQYET-QWRGUYRKSA-N	283.318	2.611	70	20	CFID	
COC(CN1CC[C@H](c2ccccc2)[C@@H](C)C1)OC	161255322	LCKNAHKVQZQYDN-ZFWWWQNUSA-N	263.381	2.731	70	20	CFID	
CS[C@H](C)CC(=O)NCCN1c2ccccc2C[C@H]1C	161484516	MUSFUTSGKRBDOA-CHWSQXEVSA-N	292.448	2.695	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1ccc(C)cc1C	160068281	VLLVOOLLTXXKRW-CQSZACIVSA-N	291.391	2.694	70	20	CFID	
O=C(Cc1ccccc1O)N[C@H]1CCOC2(CCCC2)C1	160179219	GQSBGOVGQOGWRE-AWEZNQCLSA-N	289.375	2.543	70	20	CFID	
CS[C@@H](C)CC(=O)NCCCOCCc1ccccc1	160503015	SLHJELJIUUXQRM-AWEZNQCLSA-N	295.448	2.894	70	20	CFID	
O=C(C[C@H]1CCCN1)NCC1(c2cccc(Cl)c2)CC1	160548185	IXEHCWWCBMYHIB-CQSZACIVSA-N	292.810	2.630	70	20	CFID	
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCCO1	160554803	YHTDSVUTDUTNSH-LLVKDONJSA-N	280.393	2.920	70	20	CFID	
CC(=O)c1cc(C(=O)NCCCSCC(C)C)n(C)c1	160650593	OZLQCQVOPJXXGF-UHFFFAOYSA-N	296.436	2.737	70	20	CFID	
Cc1[nH]ncc1CCCNC(=O)NCCCC(C)(C)C	160816803	KIKNJXRYTMJZNM-UHFFFAOYSA-N	280.416	2.776	70	20	CFID	
CC[C@@H](NCCOCCOC)c1ccc(F)cc1F	160824634	IKDQAVMILVPJIK-CQSZACIVSA-N	273.323	2.669	70	20	CFID	
C[C@H](C(=O)NCCNC1CCCCCC1)c1cccnc1	159638216	RBBOBCDEQNIPSC-AWEZNQCLSA-N	289.423	2.614	70	20	CFID	
CCOCCCC(=O)N[C@@H]1CCc2c(OC)cccc21	159954165	IKGUDNKCHWMQAS-CQSZACIVSA-N	277.364	2.615	70	20	CFID	
CC1CCN(C(=O)CN2CC[C@@H]3CCCC[C@@H]32)CC1	159667718	YUHPCHJAMZBLCL-GJZGRUSLSA-N	264.413	2.509	70	20	CFID	
C1CS[C@H](c2noc(CC3C[C@@H]4CC[C@H](C3)N4)n2)C1	160605083	XCZMREDROZXWRL-YATPEIPISA-N	279.409	2.711	70	20	CFID	
Cc1cc(N)ccc1C(=O)OC[C@@H]1CCC(C)(C)O1	160786595	SEJAXHQAKCTWGQ-LBPRGKRZSA-N	263.337	2.692	70	20	CFID	
C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1CO)CC(C)(C)C	217994260	SFGWBXBXVSUNEU-YNEHKIRRSA-N	255.402	2.726	70	20	CFID	
Cc1cccc(CCNC(=O)NCc2ccc(CO)cc2)c1	217414328	GWANDQPMGKEHHX-UHFFFAOYSA-N	298.386	2.529	70	20	CFID	
O=C(CCn1ccc2occc2c1=O)Nc1ccccc1	161409725	QSVFCGCRBVZKFU-UHFFFAOYSA-N	282.299	2.623	70	20	CFID	
CC[C@H](C(=O)N[C@H]1CCSc2c(F)cccc21)N(C)C	160097662	ABBFACKOQWJTPW-QWHCGFSZSA-N	296.411	2.819	70	20	CFID	
CC(C)NC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1	160174870	MWQQGMDTJKQOQL-JQWIXIFHSA-N	268.382	2.628	70	20	CFID	
CCNC(=O)c1cccc(CN[C@H](C)c2ccco2)c1	160188833	OTQOSFQIXALGFB-GFCCVEGCSA-N	272.348	2.880	70	20	CFID	
CC[C@@H](NC(=O)[C@H](C)CSC)c1c(C)noc1C	160307702	WRVOLMTWOYOISN-LDYMZIIASA-N	270.398	2.858	70	20	CFID	
CC(C)(C)c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)no1	160339405	VSELNBOJMVRCRJ-GHMZBOCLSA-N	265.357	2.737	70	20	CFID	
CCc1nc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)n[nH]1	160473000	AFROSMHCXUPNKG-NSHDSACASA-N	276.359	2.974	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@H]2C)c1	160718882	GJRAAIWODPBROZ-DTWKUNHWSA-N	282.365	2.797	70	20	CFID	
C[C@@]1(O)CCCN(C(=O)Nc2ccc3[nH]ccc3c2)C1	160777467	MUBGDPRKVGFNEO-OAHLLOKOSA-N	273.336	2.547	70	20	CFID	
C[C@H](CCc1cccn1C)NC(=O)c1cccc2[nH]cnc12	159708617	UCJAHOTXXMFKLF-GFCCVEGCSA-N	296.374	2.653	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc2oc(=O)ccc2c1	159947680	VUIUSRCDQFQHSU-JTQLQIEISA-N	275.304	2.547	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)COCCOc1ccccc1	159767363	OJJNFEWVOHEHRM-GDBMZVCRSA-N	291.391	2.777	70	20	CFID	
CCC[C@H](O)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1	159392314	HUMLNSPRJKKMDY-LSDHHAIUSA-N	293.407	2.820	70	20	CFID	
Cc1ccnc(N[C@@H]2CCCc3cc(N)ccc32)n1	159486632	XGJAJVPMRAORNP-CQSZACIVSA-N	254.337	2.857	70	20	CFID	
CCc1nc(CN[C@H](CC)c2ccc(C)cc2)n[nH]1	160273245	GUFXVBSXGLHYFB-CYBMUJFWSA-N	258.369	2.916	70	20	CFID	
Cc1cccc([C@@H](C)NC[C@H](O)COCC(C)C)c1	160225866	RCSTXPNXPMEGDC-ZBFHGGJFSA-N	265.397	2.679	70	20	CFID	
CC[C@@H](C)NC(=O)CCNCc1cc(F)cc(Cl)c1	160905127	NZZFNNYPEBUBCX-SNVBAGLBSA-N	286.778	2.874	70	20	CFID	
COc1cc(CNCCCC2CC2)cc(OC)c1O	161499525	BKRHPTSXDSPKHH-UHFFFAOYSA-N	265.353	2.689	70	20	CFID	
Cc1cccc(C)c1OCCCNC(=O)N1CCCC1	217298195	WCZYEBLQFSDTIU-UHFFFAOYSA-N	276.380	2.878	70	20	CFID	
CCc1ccc([C@H](NC(=O)COCCOC)C(C)C)cc1	218629810	AQDHHXWJFTWCSV-QGZVFWFLSA-N	293.407	2.725	70	20	CFID	
Cc1ccc(OCC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218740795	RNVCGWBGCIBNHH-KBPBESRZSA-N	257.333	2.693	70	20	CFID	
COc1ccc2c(c1)[C@H](S(=O)(=O)Cl)CCC2	261321582	IYYJLTMPWHIALG-LLVKDONJSA-N	260.742	2.641	70	20	CFID	
CC1CCC(OC[C@@H](C)CS(=O)(=O)Cl)CC1	112159541	LTJYOCRVIUSIOE-HSOILSAZSA-N	268.806	2.786	70	20	CFID	
CN(C)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2	217400070	ZDICKLDJHQEXAW-UHFFFAOYSA-N	250.386	2.816	70	20	CFID	
CN1CCC[C@H]1CNCc1nc(-c2ccccc2)cs1	218235912	FFYAVBPYSGCKLN-AWEZNQCLSA-N	287.432	2.994	70	20	CFID	
Cc1ccc(-c2cc(S(=O)(=O)Cl)on2)cc1	521400788	PAFAETAMNCYCJY-UHFFFAOYSA-N	257.698	2.578	70	20	CFID	
CCOCc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1	161143771	YVUVSTVDWOFQMU-CQSZACIVSA-N	299.374	2.621	70	20	CFID	
CCOCCO[C@@H](C)C(=O)N[C@H]1CCCc2sccc21	160082469	ZHORYLGLWHGADV-AAEUAGOBSA-N	297.420	2.683	70	20	CFID	
CCN(C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CC1	160285202	AWRNVOJXWXUYME-OAHLLOKOSA-N	290.363	2.871	70	20	CFID	
O=C(NCCOc1ccccc1Cl)NC1CC=CC1	160358119	OAESWCQKCSSDEV-UHFFFAOYSA-N	280.755	2.737	70	20	CFID	
CC[C@H](NC[C@@H](C1CCCCC1)N(C)C)[C@H]1CCOC1	160413826	SLVAJNZVUKNSJY-ULQDDVLXSA-N	282.472	2.902	70	20	CFID	
CCc1nc(CNC2(c3ccc(Cl)cc3)CC2)n[nH]1	160429816	WHSLHYOSOBBUKW-UHFFFAOYSA-N	276.771	2.799	70	20	CFID	
COc1ccncc1NC(=O)c1cnn(CC(C)C)c1C	160452963	XNIBNENLECUKHS-UHFFFAOYSA-N	288.351	2.503	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NCCN2CCCC[C@@H]2C)on1	160581732	OYRLICWMAUMBPR-OLZOCXBDSA-N	293.411	2.792	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)N[C@H](CO)CC(C)C	160838688	XNGWQBQOMGQGSC-DZGCQCFKSA-N	285.428	2.638	70	20	CFID	
O=C(NCCOc1ccccc1Cl)C1CCC1	159412338	XUKBEPJXVILKOQ-UHFFFAOYSA-N	253.729	2.635	70	20	CFID	
COc1ccnc(C(=O)N[C@H]2CCCc3sccc32)c1	159812915	JDBCJLQOIGDAML-LBPRGKRZSA-N	288.372	2.959	70	20	CFID	
O=C(NCCc1cc2ccccc2[nH]1)c1ccccc1O	159672026	LDNNOWQHRGINCE-UHFFFAOYSA-N	280.327	2.846	70	20	CFID	
CCCOC(=O)[C@@H](C)Nc1ccccc1O[C@H]1CCOC1	159917252	KRNLRGMRUFMMOJ-OLZOCXBDSA-N	293.363	2.608	70	20	CFID	
CCOCCC1(CNC(=O)NCC2(C(C)C)CC2)CC1	159557160	WLCNDKKTQIJKKI-UHFFFAOYSA-N	282.428	2.929	70	20	CFID	
CN1CCC[C@@H]2CN(c3nc(C(C)(C)C)ns3)CC[C@H]21	159998555	BHDMMAAFNSVCRH-VXGBXAGGSA-N	294.468	2.756	70	20	CFID	
Oc1ccc(CNc2nnc(C(F)(F)F)s2)cc1	160154658	RXCSQBCUJXFZPI-UHFFFAOYSA-N	275.255	2.875	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1cc(Cl)nc2ccccc12	160135582	WDLGVERIWMHREK-JTQLQIEISA-N	292.766	2.779	70	20	CFID	
COC[C@H](C)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C	161263883	NLIKNXJEMUFBLL-STQMWFEESA-N	288.432	2.550	70	20	CFID	
C=CCCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674077	CBJZCYQLSXTILL-UHFFFAOYSA-N	289.303	2.779	70	20	CFID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCCCCCC1	1336410467	IYUODBDADVUIDQ-UHFFFAOYSA-N	299.367	2.751	70	20	CFID	
C[C@H]1C[C@H](NC(=O)C2CCC(C)(C)CC2)CN1C1CC1	161105519	QTGLZDHKLQFNKF-JSGCOSHPSA-N	278.440	2.944	70	20	CFID	
CCN(C(=O)CN)[C@H](C)c1cccc(C(F)(F)F)c1	161115569	ZTOZXZQGOZDUDJ-SECBINFHSA-N	274.286	2.574	70	20	CFID	
CC[C@@H](SC)c1nc(-c2ccnc(OC)c2)no1	161360110	VXZXRICOZXCECZ-SECBINFHSA-N	265.338	2.954	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ncoc3C)c2C)o1	161457168	DNKAPBMMIVRDHE-UHFFFAOYSA-N	286.291	2.835	70	20	CFID	
CCO[C@@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F	160058462	VHTRRJGJBMETCX-WCBMZHEXSA-N	277.242	2.653	70	20	CFID	
C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1cccnc1	160154864	SWDDFDSIMLDVCU-BBRMVZONSA-N	287.407	2.666	70	20	CFID	
COC(=O)c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1C	160355529	GOMBMFJHKPGMAZ-TZMCWYRMSA-N	290.363	2.546	70	20	CFID	
Cc1ncsc1CNC(=O)C[C@H](C)c1ccncc1	160447338	LCUJZGJFCAJNRU-JTQLQIEISA-N	275.377	2.657	70	20	CFID	
CC1(C)C[C@@H](NCc2ccc(-n3ccnc3)cc2)CCO1	160491125	CRHYMRCDBIXWQB-HNNXBMFYSA-N	285.391	2.920	70	20	CFID	
Cc1cc(C(=O)Nc2cncnc2N(C)C)cc(C)c1F	160655727	QVLVURAIWPCFQG-UHFFFAOYSA-N	288.326	2.551	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)c1cc(OC)c(O)c(OC)c1	160661086	FPXBXXHNDFIMFI-GFCCVEGCSA-N	293.363	2.814	70	20	CFID	
Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2cccn2C)c1	160677553	REQGWZMSVHSVQT-AWEZNQCLSA-N	286.375	2.759	70	20	CFID	
C[C@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1cccn1C	160817281	WOADEMBJTVEJDF-ZFWWWQNUSA-N	278.396	2.579	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1ccn(CC(F)(F)F)n1	159481106	WRFFSLUYGXMPNC-JTQLQIEISA-N	287.289	2.533	70	20	CFID	
C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C)C1)c1cccnc1	159902805	ZVWQIICQTZDNSF-AGIUHOORSA-N	261.369	2.830	70	20	CFID	
Cc1nnc(NC(=O)c2ccc(C(C)C)nc2)s1	159739991	KTTWXGLTWYEGTO-UHFFFAOYSA-N	262.338	2.617	70	20	CFID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1ccccc1	159778659	DEQNPEYRGMAGAL-HNNXBMFYSA-N	290.388	2.853	70	20	CFID	
CCC(CC)c1nnc(NC(=O)N[C@@]2(C)CCOC2)s1	159976764	QFRWWQHDSNTOGO-ZDUSSCGKSA-N	298.412	2.742	70	20	CFID	
CCNc1nc(C(=O)N[C@@H]2CCC[C@H]2CC)cs1	159499951	BTHBTTLXIAGNRG-NXEZZACHSA-N	267.398	2.883	70	20	CFID	
CCOCCCNC(=O)NCCc1cccc(Cl)c1	217452581	IAVYVJFSPLOISV-UHFFFAOYSA-N	284.787	2.608	70	20	CFID	
O=C(CCc1ccco1)Nc1ccc(S(=O)(=O)F)cc1	187234545	IJMIOSMYEYSUFP-UHFFFAOYSA-N	297.307	2.509	70	20	CFID	
CC[C@H](C)N(CC)C[C@@H](O)c1cc(OC)ccc1OC	216908509	SUXMLTQUXMUPPA-SWLSCSKDSA-N	281.396	2.858	70	20	CFID	
CS[C@H]1CCC[C@@H](NC2CCC(NC(C)=O)CC2)C1	161502805	AJNOYXOQSFZMPP-CVSAEHQPSA-N	284.469	2.698	70	20	CFID	
CCCCn1ncc(NC(=O)NCCCSC)c1C	160037757	JEUGVAHLLLGOTQ-UHFFFAOYSA-N	284.429	2.866	70	20	CFID	
COc1ccc(NC(=O)N(C)CC2CCOCC2)c(C)c1	160372229	LNLCFTCMVOGLMF-UHFFFAOYSA-N	292.379	2.894	70	20	CFID	
Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)ccc1C(N)=O	160434973	DJGXXZPCBMTOGX-LLVKDONJSA-N	297.358	2.621	70	20	CFID	
CC1(C)C[C@H](NCc2c[nH]nc2-c2cccnc2)CCO1	160511452	RIMAIMYBPBHMKQ-CQSZACIVSA-N	286.379	2.519	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1	160639701	IXUSQOVTQXEAHC-VRZZLATASA-N	288.391	2.550	70	20	CFID	
CC1=C(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)CCCO1	160724371	NAZNXVJPTDPEHP-YESZJQIVSA-N	283.371	2.915	70	20	CFID	
CS[C@H](C)CNC(=O)N[C@H](C)c1ncc(C)s1	159409041	WVJUHUKTGZPFEZ-VXNVDRBHSA-N	273.427	2.563	70	20	CFID	
Cc1cccc(O[C@H](C)C(=O)NCC2(N)CCCCC2)c1	159459870	NBMDQYLPYJLIPV-CQSZACIVSA-N	290.407	2.540	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCCc2c(C)noc2C)o1	159866661	JDBKKWLXWIVHPJ-BQYQJAHWSA-N	288.347	2.819	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC(=O)N1CCCN(CC)CC1	159684007	AZYBOBZZGIEEOF-HUUCEWRRSA-N	281.444	2.692	70	20	CFID	
C[C@@H]1CC[C@@H](NC(=O)NCCn2cccn2)c2ccccc21	159692532	PNCBBULQUPEFBL-CZUORRHYSA-N	298.390	2.821	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@H]2CCC[C@@H]21	159544275	CDHBWPMRHIBCTH-YPMHNXCESA-N	279.409	2.660	70	20	CFID	
O=C(N1C[C@@H]2CCC[C@H](C1)N2)C1(c2ccccc2)CCCC1	159583690	BOZZNFRCLIBBIB-CALCHBBNSA-N	298.430	2.851	70	20	CFID	
COCc1cccc(NC(=O)NCCc2cscn2)c1	159587799	HBAZUNLIAYWRCH-UHFFFAOYSA-N	291.376	2.654	70	20	CFID	
Cc1c(CCC(=O)NC[C@@H]2CCCC[C@@H]2C)cnn1C	159983296	NZLLAVSVOFPQOI-JSGCOSHPSA-N	277.412	2.604	70	20	CFID	
COC(=O)[C@@H](CC(C)C)NC(=O)C1CCC(F)(F)CC1	160996896	QVOTYERNVGOLMV-LLVKDONJSA-N	291.338	2.516	70	20	CFID	
C[C@H](N[C@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)OCO2	217685585	WZKSRLHCMITLKN-QEJZJMRPSA-N	288.391	2.693	70	20	CFID	
c1coc(CN(CCOCC2CC2)C[C@H]2CCCO2)c1	159584005	JLNDAQAYPWRTRH-MRXNPFEDSA-N	279.380	2.687	70	20	CFID	
CCN(C(=O)c1cccc(S(=O)(=O)F)c1)C1CCCC1	1338069772	XTXVRWZAFGGVCR-UHFFFAOYSA-N	299.367	2.750	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(C)c(F)c2)CC1	161081753	CCLNMPGQWWXACL-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
COC(=O)CN1c2ccccc2S[C@H](C)[C@H]1C	161133060	BUXZYXXGWYMLDY-NXEZZACHSA-N	251.351	2.549	70	20	CFID	
Cc1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)on1	161401548	VTNFUUVTGPHCMB-UHFFFAOYSA-N	286.291	2.835	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCCc2cn3c(n2)CCCC3)C1	160043122	HCYWOVSXRDYCAJ-KGLIPLIRSA-N	289.423	2.704	70	20	CFID	
CCCCCC(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160234046	PFGXINLNOAJPHO-UHFFFAOYSA-N	262.313	2.892	70	20	CFID	
CC1(C)C[C@H](NCc2ccc(-n3cccn3)cc2)CCO1	160511870	WHSYCCMVPRGTNI-OAHLLOKOSA-N	285.391	2.920	70	20	CFID	
CC[C@H](C(=O)NCC(C)(C)OC)c1ccc(F)cc1	160524624	XKZOXTSEOHQZDZ-ZDUSSCGKSA-N	267.344	2.861	70	20	CFID	
O=C1C[C@@H](CC(=O)Oc2c(Cl)cccc2Cl)CO1	160565022	AAEIYAQGTNKDTC-ZETCQYMHSA-N	289.114	2.852	70	20	CFID	
Cc1nc2c(s1)[C@H](NC[C@H]1CCCC[C@@H]1O)CCC2	160594109	NONDUDGMDDCHAO-BZPMIXESSA-N	280.437	2.970	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)N[C@H](C)CC(C)C)cc1	160777842	VMTBCPPMHGLLOK-GFCCVEGCSA-N	291.395	2.992	70	20	CFID	
CCSc1cccc(-c2nc(COC)no2)c1	160854312	XKDXEHBFBPNJHV-UHFFFAOYSA-N	250.323	2.995	70	20	CFID	
COC[C@@H](NC(=O)Nc1cnc(Cl)c(C)c1)C1CC1	160897750	SEHSMHVFZSETBT-LLVKDONJSA-N	283.759	2.590	70	20	CFID	
COC[C@H](C)NC(=O)c1ccccc1NCc1ccco1	160952785	PZVJJBULEVPXBD-LBPRGKRZSA-N	288.347	2.656	70	20	CFID	
COc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	159721912	RVNAMRKPFYOWBO-CQSZACIVSA-N	289.375	2.917	70	20	CFID	
CN(Cc1csc(-c2ccco2)n1)[C@@H](CN)C1CC1	160077381	RZEYWYPQCTYDIP-LBPRGKRZSA-N	277.393	2.572	70	20	CFID	
Cn1cnnc1CN(Cc1ccccc1)Cc1ccco1	160693632	UHJAXPKYMKAWJB-UHFFFAOYSA-N	282.347	2.611	70	20	CFID	
CCN(C)C(=O)N(C)[C@@H](C)Cc1ccccc1OC	160636213	CWEBROVAQJDNSZ-LBPRGKRZSA-N	264.369	2.630	70	20	CFID	
CC1(O)CCN(C(=O)CCSc2ccccc2F)CC1	161245323	OIASJQTUEHQYLY-UHFFFAOYSA-N	297.395	2.681	70	20	CFID	
C[C@H]1CCCC[C@@H]1OCCCCS(=O)(=O)Cl	114257696	IXJQWKGHNVQZKK-QWRGUYRKSA-N	268.806	2.931	70	20	CFID	
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1C	1337519981	LYSQQDQGASIETA-GHMZBOCLSA-N	299.367	2.605	70	20	CFID	
C[C@@H]1CCC[C@H](CNCCNC(=O)OC(C)(C)C)C1	218133072	MDEVQLUNYDHJGA-OLZOCXBDSA-N	270.417	2.927	70	20	CFID	
c1nc(N[C@@H]2CCCc3sccc32)c2cn[nH]c2n1	161062740	XQLYYRPGINZHPB-SNVBAGLBSA-N	271.349	2.904	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)o1	161124787	NMIKENYWLHQQQU-QPXAGOOMSA-N	289.375	2.929	70	20	CFID	
CCc1ccc([C@@H](C)NC(=O)c2cc(C)ncn2)cc1	161240028	PSPRAWYWPLDQSI-GFCCVEGCSA-N	269.348	2.838	70	20	CFID	
CCO[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CCOC2)C1(CC)CC	161297078	UNEGRPDUNIKKST-LJISPDSOSA-N	269.429	2.985	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	161378052	HLDNGRBEEZUZJQ-HIFRSBDPSA-N	294.464	2.856	70	20	CFID	
CC[C@H](NCCN(C)Cc1ccc(F)cc1)[C@H]1CCOC1	160135691	HYINQECMUWEGFT-RDJZCZTQSA-N	294.414	2.662	70	20	CFID	
CC(C)[C@H]1CCCC[C@@H]1NCCN1CCC(N(C)C)CC1	160202694	YCOMNHSKFDELTQ-MSOLQXFVSA-N	295.515	2.817	70	20	CFID	
COCC[C@H](C)NC(=O)c1ccc(F)c(SC)c1	160209682	OAGMSEVEBDLSGI-VIFPVBQESA-N	271.357	2.702	70	20	CFID	
CCO[C@H](C)C(=O)N(C)c1ccc(OC)c(Cl)c1	160234266	UAUKAJPHYLLRTN-SECBINFHSA-N	271.744	2.736	70	20	CFID	
CC(C)n1nccc1C(=O)Nc1cc(F)cc(F)c1	160253658	FWDVYDRWUIMBQJ-UHFFFAOYSA-N	265.263	2.995	70	20	CFID	
FC(F)(F)c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nn1	160356064	LMXOSSFWZQIZAT-NXEZZACHSA-N	287.285	2.865	70	20	CFID	
CCc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)s1	160559708	XGBVGMAGNYDWBC-JQWIXIFHSA-N	290.436	2.876	70	20	CFID	
CCCC1(CNC(=O)[C@H]2CCCCN2CC)CC1	160747624	FLODLYKLJLQHKW-CYBMUJFWSA-N	252.402	2.557	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@H]1CCc2cc(F)ccc21	160843935	SVGPIVDBEAPLCT-YGRLFVJLSA-N	265.328	2.744	70	20	CFID	
CCC[C@H]1CN(C(=O)N[C@@H](C)c2nc(C)cs2)CCO1	160973651	IOENBCWLDBKXRC-RYUDHWBXSA-N	297.424	2.723	70	20	CFID	
COc1ccc(NC(=O)N(C)[C@@H]2CCSC2)c(OC)c1	159445935	UETLGVRTKGPFTD-SNVBAGLBSA-N	296.392	2.673	70	20	CFID	
Cc1ccc(-c2cc(NC(=O)[C@@H]3CC[C@@H](C)O3)[nH]n2)s1	159686501	LWSIZMWODFTWLI-KCJUWKMLSA-N	291.376	2.953	70	20	CFID	
O=C(OCc1nc2ccccc2s1)[C@H]1CCCCO1	159687943	WKYVWCPPSKQOSG-LLVKDONJSA-N	277.345	2.909	70	20	CFID	
CC(C)c1ccc(C(=O)NCC(C)(C)C[C@H](C)O)cn1	159691796	GSCRXGZUEKVLAH-LBPRGKRZSA-N	278.396	2.732	70	20	CFID	
CN1[C@H]2CC[C@H]1CN(c1nc(C(C)(C)C)ns1)CC2	159778455	PAHITRLXSQJFEC-QWRGUYRKSA-N	280.441	2.509	70	20	CFID	
Cc1ccc(CCNC(=O)[C@H](C)c2ccsc2)cn1	159791900	YLSSEROPLKZFTJ-GFCCVEGCSA-N	274.389	2.914	70	20	CFID	
CC[C@H](NC1CC(C)(C)NC(C)(C)C1)[C@H]1CCOC1	159628347	WPAFVXQJDXBCMT-JSGCOSHPSA-N	268.445	2.700	70	20	CFID	
CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C)cc1	159921441	UHCQJQMBGZFFQX-MJBXVCDLSA-N	262.397	2.949	70	20	CFID	
O=S(=O)(Cl)CCCOCC1CCCCC1	108304230	KBQSNUPTTQKBHK-UHFFFAOYSA-N	254.779	2.542	70	20	CFID	
CCn1cc([C@H](C)NC[C@](C)(O)c2ccsc2)cn1	160024780	ZYDONWLHXUXNNI-FZMZJTMJSA-N	279.409	2.523	70	20	CFID	
CC[C@H](O)c1ccc(OCc2nnc3n2CCCC3)cc1	217320146	OQGISJIAWSNUEB-AWEZNQCLSA-N	287.363	2.637	70	20	CFID	
C1CCN(CCCN2CCC[C@@H]2CN2CCCCC2)CC1	161323776	XZICHJAVEQFJMJ-GOSISDBHSA-N	293.499	2.813	70	20	CFID	
COCCCNC(=O)c1ccccc1NCc1ccco1	161368122	IERZNBNCWPIHMJ-UHFFFAOYSA-N	288.347	2.658	70	20	CFID	
O=C(N1CC(O)C1)C1(c2cccc(Cl)c2)CCCCC1	161496019	ATMFRIYSKXIKSF-UHFFFAOYSA-N	293.794	2.745	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1	160228682	OOSCEHJSMWXKGT-RHSMWYFYSA-N	286.375	2.954	70	20	CFID	
CCc1cc(O)nc(CN(C2CCCC2)C2CC2)n1	160780426	HMSZUGZWUBFLRR-UHFFFAOYSA-N	261.369	2.652	70	20	CFID	
COCCCCC(=O)OCc1nc(C)sc1C	160850917	HEBDDUSFNQDOMV-UHFFFAOYSA-N	257.355	2.620	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CCN3CCCC[C@H]3C2)o1	159439907	QVJKCKZKGHSZBP-VFNNOXKTSA-N	288.391	2.552	70	20	CFID	
C[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)c2ccccc21	159699692	IGCKPMDDNOUXFG-NSHDSACASA-N	292.342	2.732	70	20	CFID	
Cc1c(CCC(=O)N(C2CC2)[C@@H](C)C(C)C)cnn1C	159717832	UABQFFYBANFEPS-LBPRGKRZSA-N	277.412	2.697	70	20	CFID	
CC[C@H](NC(=O)[C@H](N)CC(C)C)c1ccc(F)cc1F	159725254	MHNYCZODKZJVOI-KGLIPLIRSA-N	284.350	2.906	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)C[C@@H](C)NC(=O)C1CCCC1	159546383	HRCBPPKOQSFHLS-UMVBOHGHSA-N	294.439	2.766	70	20	CFID	
CCC(CC)(CNc1nccn2c(C)nnc12)SC	218059903	TTYALPOLKNKBSP-UHFFFAOYSA-N	279.413	2.766	70	20	CFID	
C1CNC[C@@H](CCNC2C3CC4CC(C3)CC2C4)C1	216873383	YBNJKPWRLYZYOO-XXXXFFMBSA-N	262.441	2.790	70	20	CFID	
O=C(NOCc1cccnc1)N[C@H](c1ccccc1)C1CC1	161035614	POOCEHFLRXHPNM-MRXNPFEDSA-N	297.358	2.964	70	20	CFID	
COC(=O)CN1c2ccccc2S[C@@H](C)[C@@H]1C	161132930	BUXZYXXGWYMLDY-UWVGGRQHSA-N	251.351	2.549	70	20	CFID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1cncc(F)c1	161198257	SGNFBQJMBGTROH-SWLSCSKDSA-N	265.376	2.746	70	20	CFID	
COc1ccc2c(c1)OC[C@H](C(=O)N1[C@@H](C)CC[C@@H]1C)C2	161486587	VSZADNXAOOWIJZ-SGMGOOAPSA-N	289.375	2.646	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)N[C@H](C)C(C)(C)CN(C)C	160029180	AEKNRRYBFNCJHJ-CHWSQXEVSA-N	271.449	2.697	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1SCC(N)=O	160134831	DCLREUNLAFYDBA-BONVTDFDSA-N	292.404	2.639	70	20	CFID	
C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1CC1(C)C	160863426	ZBDGPCXFPMHVGA-KOLCDFICSA-N	283.318	2.894	70	20	CFID	
CCCCNc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1O	159809744	WBUSJSZOGSLCED-HOTGVXAUSA-N	290.407	2.932	70	20	CFID	
Cc1ccc([C@H](C)N(C)C(=O)[C@H]2CCn3ccnc3C2)cc1	159432893	HOUPLNDKXXZOQC-HOCLYGCPSA-N	297.402	2.974	70	20	CFID	
CSc1cc(C(=O)NCc2nccs2)ccc1F	159479516	JFNWTGHBCUWUCO-UHFFFAOYSA-N	282.365	2.934	70	20	CFID	
COCCCN(C)[C@H](C)c1nc(Cc2ccccc2)no1	159689213	HWKOSYGDQCWMOY-CYBMUJFWSA-N	289.379	2.690	70	20	CFID	
CCN1CCCN(C(=O)NCc2ccc(C)cc2C)CC1	159703273	PUOGSGGPTBUTGE-UHFFFAOYSA-N	289.423	2.541	70	20	CFID	
CCC[C@H](C)c1cc(NC(=O)[C@@H]2CCCCO2)[nH]n1	159707113	GNTPGGMATJSWSB-JQWIXIFHSA-N	265.357	2.821	70	20	CFID	
CC(C(=O)NC[C@@H](O)c1ccsc1)=C1CCCC1	159581590	OSTFPJNBHNOQRL-CYBMUJFWSA-N	265.378	2.788	70	20	CFID	
CN(CCCOc1ccc(F)cc1)C[C@@H]1CCC[C@@H]1O	159563281	ISANLMGYDQBRMS-BBRMVZONSA-N	281.371	2.687	70	20	CFID	
CCOC(=O)c1cccnc1N[C@@H]1CCOC(C)(C)C1	159995137	FTADYAAOHGSTGW-LLVKDONJSA-N	278.352	2.628	70	20	CFID	
Cn1c(SCCCO)nnc1-c1cccc(Cl)c1	159760161	CKYBAJKZEBPLBP-UHFFFAOYSA-N	283.784	2.610	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1CC12CCCC2	460087277	AFYTXVLETNASPC-GFCCVEGCSA-N	297.351	2.864	70	20	CFID	
CC(C)CC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876317970	LFFPEKWDXOEHFO-UHFFFAOYSA-N	291.319	2.610	70	20	CFID	
C[C@@H]1CCCC[C@@H]1CNC[C@@H](O)COc1ccccc1	218440368	OLWHJSJKBHMZHJ-BZUAXINKSA-N	277.408	2.842	70	20	CFID	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	218249299	QGDRFSKMSNCXGD-MNOVXSKESA-N	297.424	2.803	70	20	CFID	
CCc1onc(C)c1NC(=O)Nc1cnn(C(C)C)c1	161506161	VQDVFOKOQMNTBJ-UHFFFAOYSA-N	277.328	2.967	70	20	CFID	
CSc1cc(C(=O)NCCCN)c(Cl)cc1Cl	160067203	IDKGRBPAALAEJR-UHFFFAOYSA-N	293.219	2.794	70	20	CFID	
C[C@@H](CC(=O)NC[C@@H]1CCN(C)C1)c1ccc(F)cc1F	160100350	MLTXYKXZSJLOCB-RYUDHWBXSA-N	296.361	2.526	70	20	CFID	
C[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1ccco1	160224250	RUNXYMQBZWQZJN-LBPRGKRZSA-N	288.347	2.828	70	20	CFID	
CNC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)c(Cl)c1	160290818	ZOVIPNNZLSLZFW-SNVBAGLBSA-N	292.766	2.994	70	20	CFID	
CCN(CC)CCC[C@@H](C)NC(=O)C[C@@H](C)SC	160645015	UCGWVCLAGCYFRS-CHWSQXEVSA-N	274.474	2.755	70	20	CFID	
O=C(NOCc1cccnc1)c1cc2c(s1)CCCC2	160838202	WTHAGBWEXLQMJD-UHFFFAOYSA-N	288.372	2.884	70	20	CFID	
O=C(C[C@H]1CCCCO1)N[C@@H]1CCOC2(CCCC2)C1	159906099	IYUIRUFNEFSIEO-ZIAGYGMSSA-N	281.396	2.554	70	20	CFID	
CCc1onc(C)c1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	159534998	KAFGDBYWNBHJSN-VBNZEHGJSA-N	282.343	2.614	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1Cc1ccc(C)s1	161254045	RISWUFFRRVKLHC-CYBMUJFWSA-N	267.394	2.974	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H](C)CSC)cc1F	159650938	FZWRNUCWZZBSJN-SECBINFHSA-N	271.357	2.796	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)c1cncc(-c2ccccc2)c1	161114230	AUDVKPDAPPTHIY-KRWDZBQOSA-N	298.386	2.885	70	20	CFID	
CC(C)c1cccc(OCC(=O)N[C@@H]2CCC[C@@H](N)C2)c1	161115103	QQJSWRFKMHRNLE-HUUCEWRRSA-N	290.407	2.575	70	20	CFID	
CC(C)c1ccc(OCC(=O)N2CCC(C)(O)CC2)cc1	161242734	ZCEXUASTFICQQF-UHFFFAOYSA-N	291.391	2.562	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cnn(-c2ccccc2)c1	161280203	WMKGDDVMTPFELQ-NSHDSACASA-N	275.377	2.952	70	20	CFID	
C[C@@H](CN[C@H](C)[C@@H]1CCOC1)COCc1ccccc1	161297163	ZRWNNBXTZCHYAY-ZMSDIMECSA-N	277.408	2.854	70	20	CFID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H]2CC2(C)C)C1	161349664	OBMAFYYXLVEMSJ-NWDGAFQWSA-N	296.411	2.548	70	20	CFID	
C[C@H]1CCCCN1C(=O)Nc1cccc(-c2ncn(C)n2)c1	161475878	HRFCEHXSHKGFNY-LBPRGKRZSA-N	299.378	2.888	70	20	CFID	
CCOc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1	160213479	YEFFLNLUTBCFLI-UHFFFAOYSA-N	295.404	2.554	70	20	CFID	
CCOCCC1(CNC(=O)[C@H](C)C2CC2)CCC1	160297110	CAURVBRFUKKCGW-GFCCVEGCSA-N	253.386	2.746	70	20	CFID	
C[C@@H](CCO)NC(=O)N[C@H](C)c1ccc(F)cc1Cl	160379932	RXRDVPIOVAHQAU-DTWKUNHWSA-N	288.750	2.610	70	20	CFID	
C[C@H](CO)N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F	160585759	DQQIIXMOHZIYBU-ZYHUDNBSSA-N	289.297	2.562	70	20	CFID	
CC(C)NC(=O)CN[C@@H](Cc1ccc(F)cc1)C(C)C	160959914	ZCMZKHBEEQJINS-HNNXBMFYSA-N	280.387	2.507	70	20	CFID	
COc1c(F)cc(NC(=O)NOCC(C)C)cc1F	159417055	MEFGMYSUTJVBAK-UHFFFAOYSA-N	274.267	2.683	70	20	CFID	
Cc1ncc([C@@H](C)N[C@@H]2CCCSC2)c(C)n1	159562305	RCDLUEWKRDQYKV-ZYHUDNBSSA-N	251.399	2.640	70	20	CFID	
CN(CCN1CCCC1)C(=O)C1CCC(C)(C)CC1	159989381	HNSMTUUFBOGBNO-UHFFFAOYSA-N	266.429	2.757	70	20	CFID	
C[C@H](Cc1ccsc1)NC[C@H]1CCCC[C@@H]1O	160458333	DFDHIGWMEHMSEE-BNOWGMLFSA-N	253.411	2.820	70	20	CFID	
CC[C@H](C)CNCc1cncc(Br)c1	160574974	JXWDLMDKSIEIAV-VIFPVBQESA-N	257.175	2.980	70	20	CFID	
CC(C)[C@H](COC1CCCC1)CS(=O)(=O)Cl	114476890	WMNKVMTZJSFBGO-SNVBAGLBSA-N	268.806	2.786	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2	763176045	HVXINGBGNOXQLL-KWBADKCTSA-N	297.351	2.720	70	20	CFID	
CCn1cnnc1CNCc1csc2ccccc12	218233258	DZZUAZLDQMCPSS-UHFFFAOYSA-N	272.377	2.803	70	20	CFID	
COc1ccc2nc(SCc3ccnn3C)[nH]c2c1	161173988	CEXTWZKIXRSGFU-UHFFFAOYSA-N	274.349	2.597	70	20	CFID	
CN(C(=O)c1cc(F)cc2cccnc12)[C@H]1CCSC1	161467162	APEXINFASHCTQJ-LBPRGKRZSA-N	290.363	2.951	70	20	CFID	
CC(C)[C@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1	160069645	DBVOIIUIFKQEIY-AWEZNQCLSA-N	274.368	2.539	70	20	CFID	
CSc1ccc(NC(=O)N[C@]2(C)CCOC2)cc1	160119190	BHJBNSBPXBUBRP-CYBMUJFWSA-N	266.366	2.709	70	20	CFID	
CC1(C)CCC(CC(=O)NCc2ccc(C(N)=O)o2)CC1	160229428	YOFIPMUGDRXFNT-UHFFFAOYSA-N	292.379	2.601	70	20	CFID	
O=C(CCc1cccc(Cl)c1)N1C[C@@H]2CCC[C@H](C1)N2	160323154	VWCJDHQYLLIXSD-GASCZTMLSA-N	292.810	2.626	70	20	CFID	
CC[C@@H](NC(=O)c1c(C)noc1C)c1c(C)noc1C	160329442	BRTOFFCAPOJASG-LLVKDONJSA-N	277.324	2.777	70	20	CFID	
Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)Cc1cccn1C)C2	160499334	GUIJEOHEKOOJHG-QGZVFWFLSA-N	298.386	2.604	70	20	CFID	
CN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCCCC1	160538747	HIWINWYMXDSHPI-HIFRSBDPSA-N	280.412	2.918	70	20	CFID	
CC[C@H](N[C@@H](CCCO)c1ccccc1)[C@H]1CCOC1	160850843	ZFCFXOCBTWUPRC-ULQDDVLXSA-N	277.408	2.905	70	20	CFID	
C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CCCNC1	160915608	XFQIDMDIIQYVQH-DZGCQCFKSA-N	266.429	2.851	70	20	CFID	
CCCn1c(C)nnc1CN(C)[C@H](C)C1(C)CC1	160919161	OPQORFYQVWJGTM-LLVKDONJSA-N	250.390	2.617	70	20	CFID	
CC[C@H](C)[C@H](NCc1ccc(CO)o1)C(=O)OC(C)(C)C	160951519	NRQNPTPAKCODCS-FZMZJTMJSA-N	297.395	2.618	70	20	CFID	
O=C(NCCc1ccco1)c1csc([C@H]2CCCO2)n1	159483976	LNQOULGSRMWLQC-GFCCVEGCSA-N	292.360	2.560	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCC(C)C)n1	159913712	KMEUWRUNLCGDIM-UHFFFAOYSA-N	252.362	2.707	70	20	CFID	
Cc1ccccc1[C@@H](NC(=O)N[C@H](C)CCO)C(C)C	159769838	SIKGGPMWUSBQAI-HIFRSBDPSA-N	278.396	2.762	70	20	CFID	
C[C@H](C(=O)N[C@@H]1CCc2ccccc21)C1CCOCC1	161052214	KPVAPMQHHYCPIN-BLLLJJGKSA-N	273.376	2.853	70	20	CFID	
CC1CCN(C2CCC(NC(=O)[C@@H]3C[C@@H]3C)CC2)CC1	161504083	IPAICMWXOXIXPT-SLTXQBBLSA-N	278.440	2.802	70	20	CFID	
O=C(COCC1CC1)O[C@H](c1ccccn1)C(F)(F)F	160240996	DFAKBHHGXOABOF-GFCCVEGCSA-N	289.253	2.655	70	20	CFID	
CC(C)[C@H](C(=O)N1CC[C@@H](N)C1)c1cccc(Cl)c1	160259371	IZIXYGNETYAWSY-KGLIPLIRSA-N	280.799	2.639	70	20	CFID	
CC[C@H](CN[C@@H](C)[C@@H]1CCOC1)Oc1ccccc1F	160307731	BORYMYOKGVMJDO-BFHYXJOUSA-N	281.371	2.998	70	20	CFID	
CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	160344572	QTJYJCOCLKCQCT-KYOSRNDESA-N	290.407	2.778	70	20	CFID	
CCCN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CC1	160404007	QIIMBARMQIXGTR-GXTWGEPZSA-N	266.385	2.528	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N(C)c1ccccc1C(=O)OC	160409677	YHYYLLIEGDNROA-BLLLJJGKSA-N	275.348	2.872	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)OC1CCCCCC1	160533479	DUNJZBRRFNIKOJ-OLZOCXBDSA-N	299.411	2.572	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)Nc1cccc(C)n1	160747675	VAGCOOYCIIDWPN-UHFFFAOYSA-N	278.743	2.592	70	20	CFID	
O=C(NC1CC=CC1)[C@@H]1SCCc2ccccc21	160765774	FPSMAHJJKAWHQO-CQSZACIVSA-N	259.374	2.852	70	20	CFID	
COCCC1(C(=O)N2CCc3c(F)cccc3C2)CCC1	160913838	ZZHWICDKEQLKFA-UHFFFAOYSA-N	291.366	2.917	70	20	CFID	
C[C@@H](Cc1cccc(F)c1)C(=O)NCC1(N)CCCCC1	159627895	HASZMBACOBXFNH-ZDUSSCGKSA-N	292.398	2.782	70	20	CFID	
CCCC1(CNC(=O)N(CCN(C)C)C(C)C)CC1	159656832	OOMXTILOPJLRML-UHFFFAOYSA-N	269.433	2.548	70	20	CFID	
CC(C)(F)C(=O)NCCc1ccccc1OC(F)(F)F	159665856	YVYOFNAWPLLXDZ-UHFFFAOYSA-N	293.260	2.992	70	20	CFID	
C[C@H]1CC[C@@H](NC(=O)c2cn[nH]c2)c2ccccc21	159473225	NXQQWYKRSXMZQD-IINYFYTJSA-N	255.321	2.778	70	20	CFID	
CCc1noc(C)c1CS[C@@H]1CCN(C2CC2)C1=O	159960830	ZRUAOYPORFDGGP-CYBMUJFWSA-N	280.393	2.542	70	20	CFID	
CCc1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1	159527643	IRASPTVATSFLLS-YUTCNCBUSA-N	278.421	2.753	70	20	CFID	
O=C(NCC1(O)CCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	159977649	MEDAKYKRGUIIMR-MELADBBJSA-N	265.397	2.624	70	20	CFID	
CC[C@H](C)N(C)CCNCc1ccc(-n2cccn2)cc1	217388244	YDHLGMKRIRYGAO-HNNXBMFYSA-N	286.423	2.692	70	20	CFID	
Cc1cccc(F)c1NCc1nnc2n1CCCC2	217319772	JDYXGRVZEIKTBV-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
C[C@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H](C)C1	161462408	BUJHDZUGHRNFOH-UONOGXRCSA-N	298.390	2.776	70	20	CFID	
Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1OC(F)F	160091321	TYSKIMCPPPTNRH-LLVKDONJSA-N	284.306	2.677	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCn2c1nc1ccccc12	160888487	WQUYZRRBCSZGIS-BDJLRTHQSA-N	269.348	2.819	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2cccn2C)nn1C(C)(C)C	160974461	WALCMHOFPRTIRG-UHFFFAOYSA-N	288.395	2.557	70	20	CFID	
CCOC(=O)CCCNC(=O)c1cc(C(CC)CC)no1	159826512	JZTYYFKHGJGFEA-UHFFFAOYSA-N	296.367	2.651	70	20	CFID	
CCCN1CCC(NCc2c(CC)nn(C)c2CC)CC1	159631672	GGMXIYCTQRZOTM-UHFFFAOYSA-N	292.471	2.509	70	20	CFID	
C[C@H](OCc1ccccc1)C(=O)NCC1(C2CC2)CC1	159772845	LOIRHEBRQDXUEE-ZDUSSCGKSA-N	273.376	2.898	70	20	CFID	
CC(C)(O)[C@@H]1CCCN1c1ccc(Br)cn1	159540116	SZGXQDJWXCTXAK-JTQLQIEISA-N	285.185	2.584	70	20	CFID	
CCN1CCC(CNc2nnc(C(F)(F)F)s2)CC1	160163900	UCUYKMOQKJZCAT-UHFFFAOYSA-N	294.346	2.701	70	20	CFID	
CCC(CC)(CN)C(=O)N1CC[C@H](CC(C)C)C1	161221411	LHRBDNPYXYNAGP-CYBMUJFWSA-N	254.418	2.646	70	20	CFID	
C[C@@H]1C[C@H](Nc2cnccn2)CN1Cc1ccccc1	160930469	MSQYLGMPNVDXRE-HIFRSBDPSA-N	268.364	2.552	70	20	CFID	
COC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](N(C)C)C1	161077285	NTKFXLKPODLINV-SQNIBIBYSA-N	290.451	2.707	70	20	CFID	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)[C@@H]1CC1(Cl)Cl	161499704	LCVLUQVXQDWEPA-FVCCEPFGSA-N	296.197	2.882	70	20	CFID	
Cc1cc(C(=O)Nc2c(C)ccn(C)c2=O)cc(C)c1F	160551110	KDVMJHSDGNKCHP-UHFFFAOYSA-N	288.322	2.702	70	20	CFID	
CC(C)[C@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1	160625267	WQARAVSITYZTDG-HZPDHXFCSA-N	293.455	2.691	70	20	CFID	
Cc1cccc([C@H](C)NCCCCN2CCC[C@@H]2CO)c1	160756747	BWVMOCCSGSHMGU-FUHWJXTLSA-N	290.451	2.883	70	20	CFID	
CCCC[C@@H](NC(=O)CCNC(C)C)C1CCC1	160780051	IPUCFTDZKAFJIA-CQSZACIVSA-N	254.418	2.850	70	20	CFID	
CCOC[C@@H]1CCN(Cc2c(C)nc3ccccn23)C1	160944214	ULFULOXXCXYAFF-CQSZACIVSA-N	273.380	2.501	70	20	CFID	
Cc1noc(C)c1N(C)C(=O)C[C@H](C)c1ccncc1	160944248	HLMDXJFHLKKSEJ-JTQLQIEISA-N	273.336	2.843	70	20	CFID	
C[C@H](NC[C@@H](C)N1CCc2ccccc2C1)c1cnn(C)c1	159809096	DWCYNWDWOZWLKH-CABCVRRESA-N	298.434	2.518	70	20	CFID	
COC(=O)c1ccc(CSCCn2cccn2)s1	159834378	HYNVSDDDRDRFHJ-UHFFFAOYSA-N	282.390	2.665	70	20	CFID	
CCOCCCN(CC(=O)OC)Cc1ccc(Cl)cc1	159545839	IXSYYNUTPQDGDG-UHFFFAOYSA-N	299.798	2.742	70	20	CFID	
Cc1cc(NC(=O)CCCc2ccccc2)c[nH]c1=O	159752610	CEQRZSNVDUGJBY-UHFFFAOYSA-N	270.332	2.645	70	20	CFID	
C[C@H](CNc1nnc(C(F)(F)F)s1)CN1CCCC1	160332018	SORFAZIEQAHALE-MRVPVSSYSA-N	294.346	2.701	70	20	CFID	
CSCc1ccc(C(=O)NCC2(CO)CCCC2)cc1	160331825	NMCXEZNFJOWBBI-UHFFFAOYSA-N	293.432	2.832	70	20	CFID	
CC(C)CCNC(=O)NCCc1cccc(F)c1	217447217	GBKUCUUYPROFTI-UHFFFAOYSA-N	252.333	2.714	70	20	CFID	
CCc1nc(CN2CCC[C@H]2c2cccc(C)n2)no1	160420804	KFHUZMJLDSUSFJ-ZDUSSCGKSA-N	272.352	2.673	70	20	CFID	
CS[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](C)C2)C1	218003339	DWFBVAAPQLRUMR-GRYCIOLGSA-N	256.415	2.712	70	20	CFID	
CCC(CC)c1cc(CNC(=O)[C@@H](N)CC(C)C)on1	161108592	KUTZSASVAVLJAN-ZDUSSCGKSA-N	281.400	2.568	70	20	CFID	
C[C@@H](NC(=O)C(C)(C)F)c1noc(-c2ccccc2)n1	160120147	CWXKRKSRXGMKHM-SECBINFHSA-N	277.299	2.662	70	20	CFID	
CC(C)CNC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1	160188185	FEHXOQVZUXOSCV-AAEUAGOBSA-N	282.409	2.876	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)C1CC=CC1	160281570	JSUPPNTWPMOXRP-AWEZNQCLSA-N	263.381	2.951	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160383412	NLCDGMSNOCDURM-ZNMIVQPWSA-N	280.412	2.918	70	20	CFID	
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(=O)n1C	160500434	DQILNFULBHRLTF-HNNXBMFYSA-N	296.370	2.671	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)NCCC1CCCCC1	160504636	XJJCJLZLSBIWSF-ZIAGYGMSSA-N	268.401	2.824	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccn(CC(F)(F)F)n1	160759977	VNWGGWOZFGCRQJ-DTORHVGOSA-N	290.289	2.850	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(OC)c(F)c1	160897500	BFROOBMJUFQYNX-UHFFFAOYSA-N	298.358	2.755	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(Cl)cc1	159837145	SGUUOVRWVVHBCE-NHYWBVRUSA-N	296.798	2.957	70	20	CFID	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CSCN1	159690973	PFFNCQNJYZALJK-CABCVRRESA-N	292.448	2.861	70	20	CFID	
CCCc1nnc(NC(=O)N[C@@H](CC)[C@H]2CCCO2)s1	159706495	CQDCSXPMFGBXEO-VHSXEESVSA-N	298.412	2.570	70	20	CFID	
COC[C@H](NC(=O)Nc1cccc(Cl)c1OC)C1CC1	159520861	JECMYZBJUIBWRG-LBPRGKRZSA-N	298.770	2.895	70	20	CFID	
C[C@H]1CCC[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1	159539197	HCYIPGYHPZDHPN-AAEUAGOBSA-N	291.395	2.965	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)C12CC3CC(CC(C3)C1)C2	160531333	ABMYWQQBHMSKSI-UZZMVUAXSA-N	279.424	2.726	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NC[C@@H](C)CN1CCCC1	159375228	GUCCNQZHMVYGIE-LLVKDONJSA-N	295.814	2.505	70	20	CFID	
CCOC[C@@H]1CCCN(CCCN2CCCCC2)C1	161113865	CQXBRGBUZPOOPB-MRXNPFEDSA-N	268.445	2.611	70	20	CFID	
O=C(OCC(F)(F)F)N1CC=C(C(F)(F)F)CC1	160243478	HDDUGGHUUVAUOC-UHFFFAOYSA-N	277.164	2.880	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)NC(C)(C)CC	161181065	RNSGRKZTXBKORP-ZDUSSCGKSA-N	277.412	2.597	70	20	CFID	
COC[C@H](NC(=O)Nc1cnc(Cl)cc1C)C1CC1	161137972	CMSBSGLJMPFYGG-NSHDSACASA-N	283.759	2.590	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCNC(=O)CC(C)C	161305661	GZOOXHGEGFGJFC-HUUCEWRRSA-N	296.455	2.966	70	20	CFID	
C[C@@]1(C(=O)Nc2nc(-c3ccco3)cs2)CCCNC1	161353213	GLCVVGRVIHUECO-CQSZACIVSA-N	291.376	2.731	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1CCCCO1)c1ccc(OC)cc1	160105628	LPVWDYFOSAFLFG-HUUCEWRRSA-N	277.364	2.832	70	20	CFID	
Cc1cc(C)cc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1	160304068	WAUHNLWUTJDOFP-CZUORRHYSA-N	284.407	2.869	70	20	CFID	
C[C@@H](OCC1CC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160522198	NOVHIKUTEBXNKE-UKRRQHHQSA-N	295.423	2.800	70	20	CFID	
CN[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1	160676872	NZIURZZQIUNICW-KSZLIROESA-N	294.398	2.764	70	20	CFID	
CCOC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1	160960175	BGXOUOIRZOQQGY-RNCFNFMXSA-N	299.729	2.562	70	20	CFID	
CCOc1cccc(CN[C@H](C)CC(=O)N(CC)CC)c1	159408742	GJJAEBHFMUXCER-CQSZACIVSA-N	292.423	2.822	70	20	CFID	
CC(C)NCCC(=O)NC1(c2ccc(Cl)cc2)CC1	159801968	CLAMNGUDEIQCQP-UHFFFAOYSA-N	280.799	2.833	70	20	CFID	
C/C=C(\C=C\C(=O)NC[C@]1(O)CCc2ccccc21)CC	159437489	UXFFIZNQOVSOKO-WNMAWCEOSA-N	285.387	2.849	70	20	CFID	
CC(C)(NC(=O)c1ccc(CN)o1)c1cccc(F)c1	159643280	VGQWUSBIYUORBK-UHFFFAOYSA-N	276.311	2.543	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)NCC(C)C)cc1	159660436	DIEYNTQKBMRKRG-UHFFFAOYSA-N	292.379	2.960	70	20	CFID	
CN(C)c1nc2ccc(NC(=O)C3CC=CC3)cc2o1	159884091	QXORSMNLSZGUBZ-UHFFFAOYSA-N	271.320	2.799	70	20	CFID	
CC(C)CCn1ccc(N[C@H](C(N)=O)c2ccccc2)n1	159906348	YKWKSIJTVNWDTL-HNNXBMFYSA-N	286.379	2.568	70	20	CFID	
CCCC1(CNC(=O)Nc2ccc(C(N)=O)c(F)c2)CC1	159908646	DCZHVZAWDGYCGF-UHFFFAOYSA-N	293.342	2.626	70	20	CFID	
CO[C@@]1(CNC[C@@H]2CCCc3ccccc32)CCOC1	160361188	AZLVKCWGTJVWQJ-DOTOQJQBSA-N	275.392	2.502	70	20	CFID	
N[C@@H](Cc1nc([C@H]2CCCS2)no1)c1ccccc1	160625255	JDUOMIKGJQHLGM-NWDGAFQWSA-N	275.377	2.880	70	20	CFID	
CCCOc1cccc(C(=O)N[C@H](CCO)C(C)C)c1	160765107	VHBZNLBRPBJPTL-OAHLLOKOSA-N	279.380	2.612	70	20	CFID	
C[C@@](F)(CS(=O)(=O)Cl)c1ccc(F)cc1F	1537959117	WSQKWWDYBQZJHL-SECBINFHSA-N	272.675	2.718	70	20	CFID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1cncc(F)c1	161104395	BSXLURPWKBSSBN-DFBGVHRSSA-N	265.376	2.744	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(C)cc2F)CC1	161115025	CKSMFHIPTPJVHP-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
CC(C)c1ccc(C(=O)NCCCOCC2CC2)cn1	161205324	IQLWUBFXXBDWNA-UHFFFAOYSA-N	276.380	2.752	70	20	CFID	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C)(O)CC2)o1	161280376	YHZJUDYNEQWOCN-TZMCWYRMSA-N	291.391	2.709	70	20	CFID	
Cc1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)ncn1	161466367	PMARMTCCOMNYPH-UHFFFAOYSA-N	297.318	2.637	70	20	CFID	
COc1ccc(C(F)(F)C(=O)OCc2ncc(C)o2)cc1	161503187	FMKKNUKHJSWPCT-UHFFFAOYSA-N	297.257	2.827	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)N[C@@H](C)C(C)(C)CN(C)C	160028940	AEKNRRYBFNCJHJ-OLZOCXBDSA-N	271.449	2.697	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[C@@H]1c1ccco1	160222672	UTGWYILKPCXGPM-KWCYVHTRSA-N	275.348	2.948	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)c1ccc(CC)cc1	160323284	SZGKEVRBKDLCHX-CHWSQXEVSA-N	291.391	2.810	70	20	CFID	
COC(=O)c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)nc1C	160355400	GOMBMFJHKPGMAZ-JSGCOSHPSA-N	290.363	2.546	70	20	CFID	
CCC1(CNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160679297	GTXHYCFNYHOWNA-UHFFFAOYSA-N	290.289	2.757	70	20	CFID	
C[C@@H](CC(=O)N(C)Cc1cccn1C)c1ccncc1	160917222	NZPZSRPIKUQAKL-ZDUSSCGKSA-N	271.364	2.572	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCC(C)(C)C2)c1	160962669	OQNRFKANIDOJLA-UHFFFAOYSA-N	282.365	2.799	70	20	CFID	
CC(C)[C@H](O)CNC(=O)c1ccc(SC(F)F)cc1	159718368	PETONQBKXDRVTD-LLVKDONJSA-N	289.347	2.748	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CCC1CC1	159929842	UWLBVCUWLMABCR-AWEZNQCLSA-N	259.349	2.989	70	20	CFID	
CC(C)C(=O)NCCCN[C@H]1CCc2ccc(F)cc21	159976375	RRFMWIUQNUHCMA-HNNXBMFYSA-N	278.371	2.565	70	20	CFID	
COc1ccc(COCCCN[C@@H](C)[C@@H]2CCOC2)cc1	161068746	JFMRVVNNKHUJKG-GOEBONIOSA-N	293.407	2.617	70	20	CFID	
Cn1nccc1CSc1nnc(-c2ccccc2)o1	161217786	QABLMAZDSZOWIA-UHFFFAOYSA-N	272.333	2.762	70	20	CFID	
CCc1c(C(=O)NC[C@H](C)SC)cnn1CC(C)C	161378794	CSYOGEONGUADDZ-NSHDSACASA-N	283.441	2.583	70	20	CFID	
CCc1ccccc1C(=O)NC[C@@H](c1ccco1)N(C)C	161403577	QIALZAOVEMOMMC-HNNXBMFYSA-N	286.375	2.875	70	20	CFID	
CN1CCC[C@@H]1CCN1CCCN(c2ccccc2)CC1	161442923	KEVKMVVKCZKTLP-QGZVFWFLSA-N	287.451	2.683	70	20	CFID	
C[C@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)c2ccccc21	160035614	LKZHMNUVJUVWHB-QWHCGFSZSA-N	281.359	2.596	70	20	CFID	
Cc1nn(C)cc1CN(C)Cc1ccc(OC(F)F)cc1	160618978	ZNDASGMMGGAPKP-UHFFFAOYSA-N	295.333	2.962	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)c1cc(F)cc2cccnc12	160629735	SZLMPCIJYDOJQL-CYBMUJFWSA-N	290.338	2.511	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCc2ccc(NC(N)=O)cc2)C1	159413744	FCLSGGRBRCCEHA-WCQYABFASA-N	289.379	2.620	70	20	CFID	
COC[C@@H](NC(=O)c1ccc(Cl)nc1C)c1ccco1	159904202	VFDDJGMXQVGCBS-LLVKDONJSA-N	294.738	2.754	70	20	CFID	
C[C@H](CCC(=O)NCc1ncc[nH]1)c1ccccc1	159745410	TWPXINXEOIHJMI-GFCCVEGCSA-N	257.337	2.610	70	20	CFID	
Nc1ccccc1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21	217962959	WYIIVNNSADVTON-TZMCWYRMSA-N	294.420	2.612	70	20	CFID	
CCNCC1CCN(C(=O)/C=C/c2ccc(C)cc2)CC1	161061088	UIWPGGQKPODMSY-CMDGGOBGSA-N	286.419	2.856	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C1CCC(C)(C)CC1	161236190	UGCXVMCGBQJUTC-LLVKDONJSA-N	269.385	2.661	70	20	CFID	
COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1CCCCO1	160217940	NKPWLOLRVLEVOA-IUODEOHRSA-N	277.364	2.750	70	20	CFID	
Cc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(C)c1	160489592	ZYZAXDOLXGWWNV-UKRRQHHQSA-N	284.407	2.869	70	20	CFID	
CCCC1(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1	160645445	PKDLJFBIIDLSMH-LLVKDONJSA-N	284.400	2.596	70	20	CFID	
CCC(=O)c1cccc(NC(=O)CN(CC)CC)c1	160730125	VFGZHPCNVLUIOI-UHFFFAOYSA-N	262.353	2.560	70	20	CFID	
CCc1ccc([C@@H](C)NCCCCN2CCC[C@@H]2CO)o1	160769039	RQNWZNRUMJBZNJ-HUUCEWRRSA-N	294.439	2.730	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CN(C)C(=O)c1cccs1	159603480	DZQDBULEVOSYPA-NWDGAFQWSA-N	294.420	2.515	70	20	CFID	
Cc1cc(N[C@@H](C)c2nc(Cc3ccccc3)no2)nn1C	159637826	VILDMKPBZGKNMX-LBPRGKRZSA-N	297.362	2.875	70	20	CFID	
CCc1cc2c(N3CCOC[C@@H]3C3CC3)ncnc2s1	159646327	XJQLJLMUVGOEIX-CYBMUJFWSA-N	289.404	2.869	70	20	CFID	
COc1cc(C(=O)NCc2ccc(Cl)c(C)c2)on1	159846164	QMOOAIWPBIUHKL-UHFFFAOYSA-N	280.711	2.575	70	20	CFID	
CCn1ncc2ccc(NC(=O)NOCC(C)C)cc21	159708228	JCVNLCVGXQXFKD-UHFFFAOYSA-N	276.340	2.765	70	20	CFID	
CCC1(CNC(=O)NCc2ncccc2F)CCC1	159551245	LUHPVXYGABZUKM-UHFFFAOYSA-N	265.332	2.600	70	20	CFID	
Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCS1	159362519	FTGWLTZZHQWTKP-KBPBESRZSA-N	276.405	2.658	70	20	CFID	
CN(CCCCC(F)(F)F)C[C@H]1CCC[C@@H]1O	159876166	BCHJNVDZRIDURB-MNOVXSKESA-N	253.308	2.812	70	20	CFID	
CCc1nc(CN[C@H](CC)c2ccc(OC)cc2)n[nH]1	160275110	RSCXAESKEUSTMX-CYBMUJFWSA-N	274.368	2.617	70	20	CFID	
Cc1ccc2oc(C(=O)NC(C)(C)CCO)cc2c1	161497521	ZCLCNBRQFZOBTH-UHFFFAOYSA-N	261.321	2.632	70	20	CFID	
C[C@@H]1CCCC[C@@H]1OCCCCS(=O)(=O)Cl	114257694	IXJQWKGHNVQZKK-MNOVXSKESA-N	268.806	2.931	70	20	CFID	
O=C(CCC1CC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674767	PDEAPAOTIJQTSM-UHFFFAOYSA-N	289.303	2.613	70	20	CFID	
Fc1cc(F)cc(NCc2nnc3n2CCCC3)c1	217317736	FUZONDBTQHADIU-UHFFFAOYSA-N	264.279	2.505	70	20	CFID	
COc1cc(-c2noc([C@@H]3CCC(=O)C[C@H]3C)n2)ccn1	161013303	IPCDARLLXFRHFY-BXKDBHETSA-N	287.319	2.613	70	20	CFID	
CCOCCC1(CNC(=O)C2[C@H]3CCC[C@@H]23)CCC1	161177064	NLULBGSWPNADCQ-PBWFPOADSA-N	265.397	2.746	70	20	CFID	
CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1CC	161259486	IMOCLPRLSJPEKG-RBSFLKMASA-N	285.428	2.855	70	20	CFID	
COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCCCO2)c1	161386724	VDCOJJHXQJIRNU-JKSUJKDBSA-N	289.375	2.928	70	20	CFID	
CCc1ccc(CNc2cc(C(N)=O)ccc2C)o1	160041928	OEXQEGRMCAQPJY-UHFFFAOYSA-N	258.321	2.861	70	20	CFID	
CSC[C@@H](CCO)N[C@H]1CCc2cc(F)ccc21	160153868	NUJQIVGMGSUYQN-OCCSQVGLSA-N	269.385	2.517	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@H](C)c1ccc(F)cc1	160417894	PBUDIIOAYSVHNI-LBPRGKRZSA-N	280.387	2.953	70	20	CFID	
Cc1[nH]ccc1C(=O)N[C@H]1CCOC2(CCCCC2)C1	160642750	APPAWHUGCIVZKC-ZDUSSCGKSA-N	276.380	2.935	70	20	CFID	
COc1ccc(CCCNC(=O)C[C@H](C)SC)cc1	160733507	WCUPJNFWBTZEGM-LBPRGKRZSA-N	281.421	2.886	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)N[C@@H](C)CC(C)C)cc1	160777724	VMTBCPPMHGLLOK-LBPRGKRZSA-N	291.395	2.992	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1	159724386	FNAALFJOHLWTIF-KBXIAJHMSA-N	283.412	2.656	70	20	CFID	
Cc1cccc([C@@H](C)C(=O)N2CCOC(C)(C)C2)c1	159745941	VUMVTCXTVYMMDU-CYBMUJFWSA-N	261.365	2.736	70	20	CFID	
CC[C@H](C)[C@@H](O)CNc1nc(C(C)(C)C)ns1	159449480	FVHVYFHXMOFNRT-IUCAKERBSA-N	257.403	2.655	70	20	CFID	
CC1(C)CC(C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	808740825	XYTJECFOJUADGD-UHFFFAOYSA-N	285.340	2.720	70	20	CFID	
C[C@H]1[C@@H](C)Sc2ccccc2N1CCS(=O)(=O)F	883954770	YWMAWKKCHGVWEQ-VHSXEESVSA-N	289.397	2.675	70	20	CFID	
CCc1csc(N[C@@H]2CCN3CCCC[C@@H]23)n1	217468836	QSLHLJKYWWRMBI-NEPJUHHUSA-N	251.399	2.744	70	20	CFID	
CCC(CC)(CN)C(=O)N[C@H](C)COc1cccc(C)c1	161189728	RGTMJYNPRWNGFO-CQSZACIVSA-N	292.423	2.644	70	20	CFID	
C[C@H](CSCCN1CCOCC1)c1ccccc1	160033346	NBTJVNJXOIQETI-CQSZACIVSA-N	265.422	2.856	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)NCCC(=O)OC(C)C	160048863	WVXWZNFVKXIKMS-CQSZACIVSA-N	299.411	2.572	70	20	CFID	
CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@H](CN)C1CC1	160068701	WYPGJQVAUFIHBR-CQSZACIVSA-N	289.354	2.650	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@@H](CC)c1c(C)noc1C	160216023	KMZVHWBDUONOQQ-CABZTGNLSA-N	268.357	2.674	70	20	CFID	
CC[C@H](CN[C@H](C)[C@@H]1CCOC1)Oc1ccccc1F	160307996	BORYMYOKGVMJDO-MGPQQGTHSA-N	281.371	2.998	70	20	CFID	
CCCCN(CCOC)Cc1cnc2ccccn12	160322608	AMGBQNUXUMIWER-UHFFFAOYSA-N	261.369	2.583	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)c1ccc(CC)cc1	160323368	SZGKEVRBKDLCHX-OLZOCXBDSA-N	291.391	2.810	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)c1ccccc1C	160325007	WYEICDJUIAFQMY-KGLIPLIRSA-N	291.391	2.947	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(CC(C)C)cc1	160480175	UTUUXAQFVUFHJQ-ZDUSSCGKSA-N	291.391	2.957	70	20	CFID	
CCn1cnnc1-c1ccccc1NC(=O)NC1CC=CC1	160532218	YKHKPSMVDGPEIN-UHFFFAOYSA-N	297.362	2.805	70	20	CFID	
CCc1ccccc1C(=O)NCCCOCC(F)(F)F	160819658	CFRICJIVHMYSRB-UHFFFAOYSA-N	289.297	2.948	70	20	CFID	
CSCC[C@@H](N)C(=O)N[C@H](C)c1cccc(C)c1C	160836124	KDGUEAASHOPHBJ-TZMCWYRMSA-N	280.437	2.561	70	20	CFID	
Cc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c(C)c1	159456217	CYXDXJQYROSBBT-UHFFFAOYSA-N	286.375	2.645	70	20	CFID	
Cc1cc(NC(=O)/C=C/C2CCCCC2)c[nH]c1=O	159664692	ZYNRARBYIKHMRY-BQYQJAHWSA-N	260.337	2.758	70	20	CFID	
Cc1cc(C)cc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159690102	RHALPPWJMCPWDT-UHFFFAOYSA-N	256.305	2.552	70	20	CFID	
Cc1cnc([C@H](NCCC(C)(C)O)C2CC2)s1	159703771	MOTGSRVODBYYTN-LLVKDONJSA-N	254.399	2.653	70	20	CFID	
CO[C@@]1(CN[C@@H](c2ccccc2)C(F)(F)F)CCOC1	160280109	MFXUHJJZNVFKJW-QWHCGFSZSA-N	289.297	2.685	70	20	CFID	
CCCCOCCCNC(=O)CCc1ccccc1N	160457015	FQKQRBLYVSRJCU-UHFFFAOYSA-N	278.396	2.524	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@H]1CCCC[C@H]1C	160756184	WCHGHBCJHXZRRT-KGLIPLIRSA-N	275.458	2.710	70	20	CFID	
CC1(C)CC[C@H](COC(=O)c2cc(F)c(N)cc2F)O1	160794810	UTSDQIAUWVIKLV-MRVPVSSYSA-N	285.290	2.661	70	20	CFID	
CCC(CC)(CN)C(=O)N1CCS[C@@H]2CCCC[C@H]21	161247801	UZVHXIYIULGJKU-CHWSQXEVSA-N	284.469	2.638	70	20	CFID	
CC(F)(F)CCC(=O)Nc1ccc(S(=O)(=O)F)cc1	776365188	JMFTTWBQMFZJBE-UHFFFAOYSA-N	295.282	2.719	70	20	CFID	
Cc1ccccc1OCCCCS(=O)(=O)Cl	100495522	OLUFMXKSOLQARU-UHFFFAOYSA-N	262.758	2.723	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C	161377932	HLDNGRBEEZUZJQ-UKRRQHHQSA-N	294.464	2.856	70	20	CFID	
CC[C@H](NC(=O)CC1CCOCC1)c1c(C)noc1C	160311026	ONCKOUAZWOZDIL-ZDUSSCGKSA-N	280.368	2.675	70	20	CFID	
CC(C)c1nccc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160348212	FEMAZEVXRAXCSX-OLZOCXBDSA-N	261.369	2.970	70	20	CFID	
CN(C)c1ccccc1NC(=O)N(C)[C@@H]1CCSC1	160400654	INEOKVJIYGOXKT-LLVKDONJSA-N	279.409	2.722	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)C1CCCCC1	160541548	ODRGLHQDXAWWMB-OAHLLOKOSA-N	266.429	2.803	70	20	CFID	
CCCCc1nnc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)s1	159610256	GRGPXOFXDKOINP-KOLCDFICSA-N	295.408	2.825	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)c1n[nH]c2c1CCC2	159835650	VLYVHXFEDWXRCO-NSHDSACASA-N	287.388	2.767	70	20	CFID	
CCc1noc(C)c1CNc1cccc(Cl)c1C(N)=O	159469874	BQQCGJCAVIKVQL-UHFFFAOYSA-N	293.754	2.910	70	20	CFID	
CCOc1ccc(NC(=O)N[C@H](COC)C2CC2)c(C)c1	159382858	DGQXALXPRSDVFC-OAHLLOKOSA-N	292.379	2.940	70	20	CFID	
Cc1cc(NC(=O)c2cccc(OC(F)(F)F)c2)[nH]n1	159638650	WYELJPSDLYYRAA-UHFFFAOYSA-N	285.225	2.869	70	20	CFID	
CCNc1ccc(Cl)cc1C(=O)NCC(C)(C)OC	161226536	TWUAMHOGGQHCEM-UHFFFAOYSA-N	284.787	2.927	70	20	CFID	
CCOc1ccccc1[C@H](C)NCc1cnn(C)c1C	161309753	BITTZBZWRRFBPX-LBPRGKRZSA-N	273.380	2.978	70	20	CFID	
Cc1nccn1CCCCN(C)Cc1cscn1	161460519	LIASWZPQVVDWNJ-UHFFFAOYSA-N	264.398	2.560	70	20	CFID	
O=C1OCC[C@@H]1N1CCC[C@@H]1c1nc2ccccc2s1	217768342	HYOQZHLKKIJDGD-NEPJUHHUSA-N	288.372	2.749	70	20	CFID	
CC1(C)C[C@H](NCCc2ccc3c(c2)OCO3)C(C)(C)O1	161146170	DJCHAJZUVKAHAD-HNNXBMFYSA-N	291.391	2.894	70	20	CFID	
CCCCCc1nnc(NC(=O)C(CC)(CC)CN)s1	161165920	HISXEVHCPALAQD-UHFFFAOYSA-N	298.456	2.974	70	20	CFID	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@H]1CCCN1	161385787	XRBMSHORXHVCBE-SJORKVTESA-N	288.435	2.917	70	20	CFID	
Cc1nn(C)cc1CNCCc1c[nH]c2cc(F)ccc12	161412043	FDYNGRGUODBXDU-UHFFFAOYSA-N	286.354	2.681	70	20	CFID	
NC[C@@H]1CCCN1C(=O)CCCCCc1cccs1	160179536	HYLWNYVAJFRGFD-ZDUSSCGKSA-N	280.437	2.801	70	20	CFID	
O=C(/C=C/c1cccc(F)c1)NCC1(CO)CCCC1	160314721	UXSHJXFZIWEOIX-VOTSOKGWSA-N	277.339	2.508	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)C[C@H]3C=CCC3)[nH]2)o1	160435971	WVBJLFPFZYRPHG-JTQLQIEISA-N	272.308	2.668	70	20	CFID	
CCc1ccc(/C=C/C(=O)Nc2c(C)ccn(C)c2=O)o1	160893425	XCNNYWJVQBWMJS-BQYQJAHWSA-N	286.331	2.501	70	20	CFID	
O=C(NCCOc1ccccc1Cl)c1ccoc1	159436659	QJRTUVNWYXHUML-UHFFFAOYSA-N	265.696	2.742	70	20	CFID	
COc1cc(Cl)c(C)cc1NC(=O)N[C@]1(C)CCOC1	159476270	YXXMXRORVGKGRQ-CQSZACIVSA-N	298.770	2.958	70	20	CFID	
O=C(NCC1CC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1	159494189	YTMYLISJRBFGQM-UHFFFAOYSA-N	299.374	2.585	70	20	CFID	
c1cc2c(c(CNC3CCN(C4CC4)CC3)c1)NCCC2	159367703	QKIGSEDXLGJPKK-UHFFFAOYSA-N	285.435	2.761	70	20	CFID	
O=C(Nc1ccc2ncsc2c1)[C@H]1CCn2ccnc2C1	159963153	OVUQDIIUOWSDPQ-JTQLQIEISA-N	298.371	2.694	70	20	CFID	
Cc1nccnc1N[C@H]1CCCc2cc(N)ccc21	159502929	QNQWOJDBCRLHSS-AWEZNQCLSA-N	254.337	2.857	70	20	CFID	
COC(=O)c1ccc(CSC[C@H]2CCCO2)s1	159686504	VCJREQAUXREQIS-SECBINFHSA-N	272.391	2.947	70	20	CFID	
C[C@H](NCCCCS(C)(=O)=O)c1ccccc1Cl	161192460	OWMSRXBRQKOUEN-NSHDSACASA-N	289.828	2.815	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cnn(-c2ccccc2)c1	217399051	SCPGOFBAWNDFIN-OAHLLOKOSA-N	286.423	2.692	70	20	CFID	
CC[C@H](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	809281767	XVGAGPGPKHZVHW-UWVGGRQHSA-N	287.356	2.966	70	20	CFID	
Cc1ccc(NCc2nnc3n2CCCC3)c(F)c1	217317822	FVIKSAUXTVPEPS-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
O=S(=O)(Cl)C[C@H]1CCC[C@@H](C(F)(F)F)C1	156943725	XQXMCMNDICVDMM-NKWVEPMBSA-N	264.696	2.924	70	20	CFID	
O=C(NCc1cccc(Cl)c1)NO[C@H]1CCCCO1	161142193	BHQRMVSMDVRBMY-LBPRGKRZSA-N	284.743	2.597	70	20	CFID	
CCC[C@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl	161152177	QCLUMPYVQIRWJI-PELKAZGASA-N	272.751	2.784	70	20	CFID	
Cc1nccn1C[C@H](C)CNC(=O)[C@H]1CCC[C@H](C)C1	161175894	WOWLGPZNNFSWLN-GUTXKFCHSA-N	277.412	2.770	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@@H]2C)n1	161239009	KIPBKELJUBDYBE-GXSJLCMTSA-N	270.336	2.629	70	20	CFID	
CC[C@H](N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl	160042827	HCKVQKINEADLGN-LBPRGKRZSA-N	286.778	2.610	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)CC1CCCC1	160166213	HKRMXDOCMQWAOG-UHFFFAOYSA-N	284.400	2.550	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc(C)sc1C)CC2	160333085	FVRANQVEUGJKTC-GWCFXTLKSA-N	290.436	2.930	70	20	CFID	
Cc1ccoc1C(=O)N(C)c1ccc2c(c1)OCO2	160412222	XBHSJMLDWPNRRX-UHFFFAOYSA-N	259.261	2.593	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NCCN2CCC[C@H](C)C2)on1	160590700	CFYGTEBMKWPTDA-QWHCGFSZSA-N	293.411	2.650	70	20	CFID	
C[C@]1(O)CCCN(C(=O)Nc2ccc3[nH]ccc3c2)C1	160777360	MUBGDPRKVGFNEO-HNNXBMFYSA-N	273.336	2.547	70	20	CFID	
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC2(C3CC3)CCC2)C1	160907705	HBPINHLWWJLLAF-LSDHHAIUSA-N	293.455	2.739	70	20	CFID	
CN(Cc1cc(-c2ccccc2)no1)[C@@H](CN)C1CC1	160158461	JMVSHUVAZGAEOV-INIZCTEOSA-N	271.364	2.511	70	20	CFID	
CCCCc1ccc([C@@H](C)N[C@H](C)CC(N)=O)cc1	161359391	JRHKFPYIDJDOMM-CHWSQXEVSA-N	262.397	2.944	70	20	CFID	
Cc1cc(C)c(CNC(=O)[C@]2(C)CCCNC2)c(C)c1	161356038	QAZKBCUJFKJJEO-QGZVFWFLSA-N	274.408	2.618	70	20	CFID	
COc1ccc([C@H](C)N(C)CCn2ccnc2)cc1	161354836	STCWIBWXQHEQAQ-ZDUSSCGKSA-N	259.353	2.585	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@H]3CCC[C@H]32)c1F	161477047	PZLNJHHRYOIKSG-OLZOCXBDSA-N	263.312	2.528	70	20	CFID	
O=C(C=C1CCCC1)Nc1cccc(S(=O)(=O)F)c1	460094669	SBDYRTGJJWGNHJ-UHFFFAOYSA-N	283.324	2.784	70	20	CFID	
O=S(=O)(Cl)c1cnc2ccc(Cl)cc2c1	97973142	HZRLIYMLSDEFRH-UHFFFAOYSA-N	262.117	2.816	70	20	CFID	
CCCCN(C)C(=O)c1ccc(S(=O)(=O)F)cc1C	1336679014	KSKOEYOGUKOAHA-UHFFFAOYSA-N	287.356	2.525	70	20	CFID	
C[C@@H]1CCC[C@@H](N[C@H](C)c2nnc3ccccn23)C1	217641629	YBXCQDZYHAHGGO-JHJVBQTASA-N	258.369	2.959	70	20	CFID	
C[C@H]1Sc2ccccc2N(CCCS(C)(=O)=O)[C@@H]1C	161143644	KFWRGGJZGWDKLG-VXGBXAGGSA-N	299.461	2.810	70	20	CFID	
CCO[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCCCC2	161179501	YXSFAJOTXUTJJU-HZSPNIEDSA-N	296.455	2.604	70	20	CFID	
CCS[C@@H]1CCCCN(C(=O)C(CC)(CC)CN)C1	161224133	HYBFBEAUDLOCHL-CYBMUJFWSA-N	286.485	2.886	70	20	CFID	
O=C(NCCc1cccc(Cl)c1)NO[C@@H]1CCCCO1	161304332	XDTSXSFSHAABRN-CYBMUJFWSA-N	298.770	2.640	70	20	CFID	
CC(C)NC(=O)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160279097	NZECOHVHLLRUPR-RRFJBIMHSA-N	294.439	2.576	70	20	CFID	
Cc1nc2c(s1)[C@@H](NC[C@H]1CCCC[C@@H]1O)CCC2	160594187	NONDUDGMDDCHAO-DYEKYZERSA-N	280.437	2.970	70	20	CFID	
CC1=C(C(=O)Nc2nc3ccccc3[nH]2)CCCO1	160648079	LGIBFHPUMDWDAY-UHFFFAOYSA-N	257.293	2.586	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H]2CCCSC2)o1	160775236	NYASGIHWNJRURA-WSKFYRRCSA-N	265.378	2.867	70	20	CFID	
COc1ccccc1N1CCN(Cc2ccc(C)cn2)CC1	160929372	TYUXHDPFWZILBP-UHFFFAOYSA-N	297.402	2.721	70	20	CFID	
CCc1noc(C)c1CSCCCCS(C)(=O)=O	160966086	ZPVLLOYWSLXYSG-UHFFFAOYSA-N	291.438	2.603	70	20	CFID	
COCCCCC(=O)N1CCc2c(F)cccc2C1	160992491	NPGNHSXBIXEHNP-UHFFFAOYSA-N	265.328	2.527	70	20	CFID	
Cc1nn(C)c(C)c1CNCc1cccc2c1NCCC2	159435523	JLQHBPNLQHLBCM-UHFFFAOYSA-N	284.407	2.685	70	20	CFID	
CC(C)[C@@H](O)C(C)(C)CNC(=O)NCC1(C)CCC1	159583322	LVNKUMWLWUOHIU-GFCCVEGCSA-N	270.417	2.519	70	20	CFID	
Cc1ccc(CCNC(=O)[C@@H](C)c2cccs2)cn1	159790820	ZNPSVVJUWVRRLT-LBPRGKRZSA-N	274.389	2.914	70	20	CFID	
CC[C@@H](COCc1ccccc1)CS(=O)(=O)Cl	114472583	CKGWIEJJIRPSFP-NSHDSACASA-N	276.785	2.798	70	20	CFID	
Cc1ccc(CNC(=O)[C@H](C)C2CCOCC2)cc1F	161025828	ZKAZSQBLSPKMPI-GFCCVEGCSA-N	279.355	2.813	70	20	CFID	
CCCC[C@@H](COC)N[C@H]1CCC[C@H](N(C)C)C1	161088104	PPTBLWQOPOGGHH-KKUMJFAQSA-N	256.434	2.654	70	20	CFID	
O=C([C@@H]1COc2ccccc21)N1CCc2c(F)cccc2C1	161120480	RTKNSOHZTIHDEJ-OAHLLOKOSA-N	297.329	2.887	70	20	CFID	
C[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)c2ccccc21	160035730	LKZHMNUVJUVWHB-OLZOCXBDSA-N	281.359	2.596	70	20	CFID	
CC(C)c1ccc(C[C@H](C)NC(=O)NC[C@@H](C)CO)cc1	160070029	BJPJXMOZMKRSHT-KGLIPLIRSA-N	292.423	2.669	70	20	CFID	
CC[C@H](SC)C(=O)N(C)c1ccc2c(c1)OCO2	160094860	BWJNMDHKNSDKTJ-LBPRGKRZSA-N	267.350	2.520	70	20	CFID	
Cc1nc(C)c(C(=O)N(C)c2ccc3c(c2)OCO3)s1	160178199	NUBPWWMXXNUMSB-UHFFFAOYSA-N	290.344	2.765	70	20	CFID	
CCc1nnc(NC(=O)c2ccc(N(C)C)cc2F)s1	160342827	GJVZTPYNRVEGBN-UHFFFAOYSA-N	294.355	2.558	70	20	CFID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCCCCC1	160382761	FTXIUMHNCOFHQQ-KBPBESRZSA-N	266.385	2.530	70	20	CFID	
CS[C@@H](C)CNC(=O)NCc1nc(C2CC2)cs1	160638969	NIWUMDXJTPBCHI-QMMMGPOBSA-N	285.438	2.571	70	20	CFID	
CCOCCCC(=O)NCCc1csc(C(C)(C)C)n1	160736390	JCISRQBWKZRHML-UHFFFAOYSA-N	298.452	2.916	70	20	CFID	
COCC[C@@H](C)N[C@H](CCCO)c1ccccc1	160874620	SJQZIVRQSJWRPX-UKRRQHHQSA-N	251.370	2.515	70	20	CFID	
Cc1cnc(CNC(C)(C)CN(C)Cc2ccccc2)o1	160928471	FBJAEEIGPXBVLI-UHFFFAOYSA-N	287.407	2.983	70	20	CFID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCc2ccccc21	160983601	SCCUSNAMDZZWMG-ZBFHGGJFSA-N	286.375	2.716	70	20	CFID	
CCOc1ncccc1CNC(=O)[C@@H]1C[C@@]1(C)CC	160998887	TVTDQZAAHQPHLZ-SWLSCSKDSA-N	262.353	2.533	70	20	CFID	
C[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C[C@H](C)C1	159721135	VPZSJXDZDOJFRN-UONOGXRCSA-N	281.421	2.884	70	20	CFID	
CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]2CC)C1	159558811	ZVUHLOMCONTEFP-SOUVJXGZSA-N	294.439	2.720	70	20	CFID	
CC[C@@](C)(CCO)NC(=O)Nc1ccnc(C)c1Cl	159760504	XJBRLBSKYJTLNQ-ZDUSSCGKSA-N	285.775	2.716	70	20	CFID	
CCCOc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1	159775535	QJRICFKTPBDEEY-CYBMUJFWSA-N	299.374	2.873	70	20	CFID	
O=C(NCCc1cccc(Cl)c1)[C@H]1CCCCO1	160040644	CBXKVGHULKSDAT-CYBMUJFWSA-N	267.756	2.568	70	20	CFID	
CCO[C@H]1C[C@@H](NCc2cc(OC)ccc2OC)C1(C)C	217893757	NTRVHCLJYIFGES-CVEARBPZSA-N	293.407	2.997	70	20	CFID	
CC(C)(C)c1nsc(N[C@H]2CC[C@@H](CO)CC2)n1	159950290	KMEFTKLKYRKJMK-MGCOHNPYSA-N	269.414	2.799	70	20	CFID	
Fc1ccccc1[C@@H]1CN(CCOCC2CC2)CCO1	160366872	LKIXVCLHSXEPBO-INIZCTEOSA-N	279.355	2.626	70	20	CFID	
CCC1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCCC1	1338068170	KYUUYQRTXLJTTP-UHFFFAOYSA-N	299.367	2.797	70	20	CFID	
CCCC[C@H](COC)NC[C@@H]1CCCCN1CC	161191451	OQSMVPSYARJZIQ-CABCVRRESA-N	256.434	2.656	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@H]1CC[C@H](N)C1	161105673	MSCGNGAHDTUDGS-JYJNAYRXSA-N	274.408	2.594	70	20	CFID	
Cc1ccc([C@@H]2[C@H](C)CCCN2S(=O)(=O)N(C)C)cc1	160343951	XNWRTHXIWRIKIT-HIFRSBDPSA-N	296.436	2.574	70	20	CFID	
CCC[C@H](O)CNC(=O)CCCOc1ccc(C)cc1C	160416948	SIHNGMJZQPIVHA-HNNXBMFYSA-N	293.407	2.740	70	20	CFID	
Cc1ccc(F)cc1C(=O)NC[C@H]1CCCN1CC(C)C	160595776	SMOQYJGRQYPUKM-OAHLLOKOSA-N	292.398	2.984	70	20	CFID	
O=C([C@@H]1CCCCN1)N1CC[C@H](c2ccc(Cl)cc2)C1	159805817	JCUCUVITYKVDOO-ZFWWWQNUSA-N	292.810	2.798	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)[C@H]2CCCO2)C1	159484947	KEHYBFZPWDRIQY-DGCLKSJQSA-N	277.389	2.940	70	20	CFID	
CC1(C)CCC(CC(=O)NC2CCOCC2)CC1	159563882	LPVSFJYNIHEHAA-UHFFFAOYSA-N	253.386	2.888	70	20	CFID	
CC1(C(=O)N[C@H]2CCOC3(CCCC3)C2)CCC1	159780086	IEEDUWFJIIEYDW-LBPRGKRZSA-N	251.370	2.785	70	20	CFID	
CCCn1nccc1CNCCc1ccc(OC)cc1	159959200	ASAMIERDKFEYHU-UHFFFAOYSA-N	273.380	2.634	70	20	CFID	
NC[C@@H]1CCCN1C(=O)CSCc1cccc(Cl)c1	160161695	DBXANKRWDQIQOM-ZDUSSCGKSA-N	298.839	2.523	70	20	CFID	
CO[C@@]1(CNc2nc3ccc(F)cc3s2)CCOC1	160746515	WOLMUKAJLBBAFK-CYBMUJFWSA-N	282.340	2.653	70	20	CFID	
Nc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1	161064788	GJGDGMNKRBDSEJ-HUUCEWRRSA-N	258.365	2.967	70	20	CFID	
Cc1nc(Cl)cc(N[C@H](CO)CC(C)(C)C)n1	161404641	OVUFFDDTWQDSIG-VIFPVBQESA-N	257.765	2.647	70	20	CFID	
CC[C@H](COCC1CCCC1)CS(=O)(=O)Cl	117276899	BALXZPXQFBIIKA-SNVBAGLBSA-N	268.806	2.788	70	20	CFID	
CCCC[C@H](NCc1cccc2cc[nH]c12)C(=O)OC	161043702	WXKKKZYYDWOFGM-AWEZNQCLSA-N	274.364	2.989	70	20	CFID	
CC(C)(N)C(=O)Nc1ccc(COC2CCCC2)cc1	161134703	ORXCHLCRNAPGQW-UHFFFAOYSA-N	276.380	2.822	70	20	CFID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1cncs1	161173583	WGAISUPGXRXSGC-NWDGAFQWSA-N	253.415	2.668	70	20	CFID	
CC(=O)Nc1ccc(C)cc1OCc1nccs1	161324978	LDTRMNAZAQQFCM-UHFFFAOYSA-N	262.334	2.989	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H](C)c1ccc([S@](C)=O)cc1	160122424	QBGTYKBDCBQRHM-PJSUUKDQSA-N	296.480	2.805	70	20	CFID	
CC(C)c1nccc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160348363	FEMAZEVXRAXCSX-STQMWFEESA-N	261.369	2.970	70	20	CFID	
CC(C)[C@@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1	160683537	XYNBSQUWTUNKKJ-ZBFHGGJFSA-N	274.408	2.984	70	20	CFID	
COCCC1(CNC(=O)NCC2(C3CC3)CCC2)CC1	160757960	RXDZZZUKLKQADT-UHFFFAOYSA-N	280.412	2.683	70	20	CFID	
O=C(NC1CC=CC1)[C@H]1SCCc2sccc21	160766312	OMJWODIWJYVIGK-LBPRGKRZSA-N	265.403	2.913	70	20	CFID	
CC(C)CC[C@H](C)NC(=O)NC[C@H](O)c1ccsc1	160866688	OPGCSDDMMHYGLO-AAEUAGOBSA-N	284.425	2.905	70	20	CFID	
Cc1nc(CNC(=O)C[C@H](C)c2ccncc2)sc1C	160852239	YJLOJPLMZFIXLN-JTQLQIEISA-N	289.404	2.965	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccc(O)cc2O)cc1F	159614762	NRLGBFYYJCYDLF-UHFFFAOYSA-N	291.278	2.522	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)CCCn2cccc2)C12CCC2	159680374	QFLDBAUWBUHZFS-HUUCEWRRSA-N	290.407	2.732	70	20	CFID	
COCc1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](C)O	159882485	LDEDJMNEPMCFGI-TZMCWYRMSA-N	292.379	2.600	70	20	CFID	
NC1(CNC(=O)C[C@H]2CCc3ccccc32)CCCCC1	159722932	MGCFBMYUOCYLQF-OAHLLOKOSA-N	286.419	2.884	70	20	CFID	
CSCCN(C)CCC(=O)c1ccc(C)cc1	159671295	IITYFUPDDWPZCN-UHFFFAOYSA-N	251.395	2.863	70	20	CFID	
CCCCS(=O)(=O)N[C@@H](C)Cc1ccc(C)s1	159673038	XIJFTSNLDLEJKR-JTQLQIEISA-N	275.439	2.707	70	20	CFID	
CCOc1ccccc1[C@@H](F)CS(=O)(=O)Cl	1537958818	MYWDJEJJHHUCIT-VIFPVBQESA-N	266.721	2.665	70	20	CFID	
CC1(C)CC[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1121032486	REHQQNLKKGNETL-LLVKDONJSA-N	299.367	2.653	70	20	CFID	
COCCC1(CNC(=O)NC2(C)CCCCC2)CC1	161066390	KBFKZBSOFVPZPM-UHFFFAOYSA-N	268.401	2.825	70	20	CFID	
CCCn1nc(C)c(C(=O)NCCc2ccccc2)c1C	161124187	IJRYGXIRVVNZET-UHFFFAOYSA-N	285.391	2.882	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OC(C)(C)C)o1	161296218	TZTBCYLFKQWXRR-USKTWTLRSA-N	293.363	2.702	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)c2ncoc2C)o1	161300478	XPBSGOFHJKONQG-GFCCVEGCSA-N	290.319	2.700	70	20	CFID	
CC(C)SCCOc1cccc(S(C)(=O)=O)c1	161328358	YWKZAEQMWNCUAV-UHFFFAOYSA-N	274.407	2.611	70	20	CFID	
CC(=O)NC1CCC(NCCc2ccccc2Cl)CC1	161383435	UTXWQHFCPNLQBM-UHFFFAOYSA-N	294.826	2.919	70	20	CFID	
CCSCc1cccc(NC(=O)[C@@H]2CSCN2)c1	161479461	ZHTSPYBGSICQSJ-LBPRGKRZSA-N	282.434	2.541	70	20	CFID	
C[C@@H](NCCN1CCC(N(C)C)CC1)c1ccccc1F	160150151	XAEOEDYRDMETDD-CQSZACIVSA-N	293.430	2.502	70	20	CFID	
COc1ccccc1CCC(=O)N(C)Cc1cccn1C	160436710	HUKJIYMBLZIWFF-UHFFFAOYSA-N	286.375	2.625	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1cccc2ccccc12	160453236	DWDBLMCPVVGJFZ-CYBMUJFWSA-N	299.370	2.840	70	20	CFID	
C[C@@H](NC(=O)NCC1(C2CC2)CCC1)C1CCOCC1	160460465	FWYWLVYHZROIGZ-GFCCVEGCSA-N	280.412	2.681	70	20	CFID	
Cc1cnc(N2CCN([C@@H](C)c3ccsc3)CC2)nc1	160514342	FWHQRHIYXKKUAX-ZDUSSCGKSA-N	288.420	2.730	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](C)C1CC1)c1c(C)noc1C	160614495	GLEWRZPELKVBEJ-QPUJVOFHSA-N	250.342	2.905	70	20	CFID	
CSC[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160627765	ZERPNEKQVYZGQT-CHWSQXEVSA-N	285.453	2.984	70	20	CFID	
Cc1cccc(C(=O)N[C@H](C)CC(=O)c2cccs2)n1	160882480	KBPDDZSHKBTRSD-LLVKDONJSA-N	288.372	2.843	70	20	CFID	
CC(C)(C)NCCNC(=O)c1cccc(Cl)c1F	159807526	OZXAQTJVFFYWNO-UHFFFAOYSA-N	272.751	2.597	70	20	CFID	
C[C@H]1CN(C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ns1	159860836	RJMZSMQZZUPTIL-QWRGUYRKSA-N	282.457	2.612	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)CCOc1ccc(OC)cc1	159887687	ZJXKREMWZMSTSU-RDJZCZTQSA-N	291.391	2.969	70	20	CFID	
CCCCCc1nnc(NC(=O)N[C@@]2(C)CCOC2)s1	159528965	KPXKBAZXEKENKF-ZDUSSCGKSA-N	298.412	2.571	70	20	CFID	
CN(CC(C)(C)CN)C(=O)C1C2CC3CC(C2)CC1C3	160207310	DJTQOVVGCXYLGY-UHFFFAOYSA-N	278.440	2.502	70	20	CFID	
Cn1ccnc1CN(Cc1ccccc1)C[C@@H]1CCCO1	160835631	QLURDMKGROGHPQ-INIZCTEOSA-N	285.391	2.601	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2Cl)C1	161182617	MBBGGKXSXFJAPO-VHSXEESVSA-N	287.190	2.993	70	20	CFID	
Cc1ccccc1CCNC(=O)NCCc1ccc(O)cc1	217315616	FCTOEAFGPPGJDO-UHFFFAOYSA-N	298.386	2.785	70	20	CFID	
CC1(NC(=O)NC[C@H]2CCOc3ccccc32)CCC1	161016150	BJJDZYGKRASNCO-GFCCVEGCSA-N	274.364	2.795	70	20	CFID	
CC1(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCCC1	161101798	NBFSCGYOGDUKKG-MJBXVCDLSA-N	292.423	2.966	70	20	CFID	
CN(C)c1c(Cl)cccc1NC(=O)N[C@@]1(C)CCOC1	161194482	JJJXAWYTIIMFKI-AWEZNQCLSA-N	297.786	2.707	70	20	CFID	
COCCCN(C)C(=O)c1ccc(F)c(SC)c1	161297119	SNVCGRVHFMWFMN-UHFFFAOYSA-N	271.357	2.656	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2cc3cccc(F)c3o2)C1	161445083	IBEIRQRGUFUODV-MNOVXSKESA-N	276.311	2.572	70	20	CFID	
Cc1cc(C(=O)N(Cc2cccs2)C2CC2)ncn1	161465369	XVXZTTDSTKZILG-UHFFFAOYSA-N	273.361	2.651	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccccn3)[nH]2)C1	161483162	OGPYYEBIRYVPNN-WDEREUQCSA-N	285.351	2.632	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)c1cnccn1	160165968	JXJUEAZYJYVVPM-NSHDSACASA-N	272.304	2.712	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)CC)cc1	160522358	VDQQFFJTZZLBML-ZFWWWQNUSA-N	295.404	2.855	70	20	CFID	
O=C(c1cccc2[nH]cnc12)N1CCOc2cc(F)ccc21	159600977	BHOSIXHMOAUBQI-UHFFFAOYSA-N	297.289	2.741	70	20	CFID	
O=C([C@H]1CCCNC1)N1CC[C@@H](c2ccc(Cl)cc2)C1	159812157	VGPJCTIKHFPVKK-UONOGXRCSA-N	292.810	2.656	70	20	CFID	
C[C@@]1(NC(=O)Nc2ccc(OC(F)F)cc2)CCOC1	159490824	ZDDVEAUCTVRFRT-CYBMUJFWSA-N	286.278	2.589	70	20	CFID	
CC[C@H](Nc1ccc(N2CCCC2)c(F)c1)C(=O)OC	159535950	ANJQVZFJXXMIAI-ZDUSSCGKSA-N	280.343	2.789	70	20	CFID	
CC[C@H](CCO)NC(=O)c1oc2c(F)cccc2c1C	160123128	GSFMVZHLKABNGU-SNVBAGLBSA-N	279.311	2.771	70	20	CFID	
C[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1O	159457578	IBRCHKJDDUDXDG-ZANVPECISA-N	257.736	2.682	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(C(=O)OC)s1	160116302	LEXLDGXTOZOGIN-AMIZOPFISA-N	282.365	2.613	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C)c(C)c1)CC2	160414082	XURVSWYOEZYOHA-CZUORRHYSA-N	284.407	2.869	70	20	CFID	
CC(C)(C)c1nc(CCNC(=O)c2ccc[nH]2)cs1	160631705	DLMPUWFLTGHNIS-UHFFFAOYSA-N	277.393	2.741	70	20	CFID	
COc1cccc(N2CCN(Cc3cccnc3C)CC2)c1	160694887	QWWMYKLGNMCQJA-UHFFFAOYSA-N	297.402	2.721	70	20	CFID	
C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1	160887009	HQEFDRKEVWRYBG-QLFBSQMISA-N	293.455	2.691	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)CCn1cncn1	160916629	QBZJEXITQWBDFD-UHFFFAOYSA-N	290.392	2.807	70	20	CFID	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2N)C1	159881173	VEUFTBSOTSCNEU-DIECFANBSA-N	286.419	2.827	70	20	CFID	
C[C@H](N[C@H](C)c1cccc(F)c1F)C(=O)NC(C)(C)C	159413203	CZWXERAOLZREAJ-ZJUUUORDSA-N	284.350	2.919	70	20	CFID	
CN(Cc1cc(-c2ccco2)on1)C[C@@H]1CCC[C@@H]1O	159570009	ZKOADWUQNZCOCR-AAEUAGOBSA-N	276.336	2.527	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)CCSc2ccc(F)cc2)C1	161373135	LRPLQMSBCAHJRN-STQMWFEESA-N	296.411	2.694	70	20	CFID	
CC(C)N(C)CCCNCc1cccc2[nH]ccc12	218092325	JHWJMEUUEQBQOB-UHFFFAOYSA-N	259.397	2.988	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccco1	161029065	SHHQCDOYHVCWPQ-LBPRGKRZSA-N	263.337	2.891	70	20	CFID	
C[C@@H]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)CN1C1CC1	161105649	QTGLZDHKLQFNKF-TZMCWYRMSA-N	278.440	2.944	70	20	CFID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2	161127477	CQHIRTHDGCOYKD-YUELXQCFSA-N	290.407	2.939	70	20	CFID	
C[C@@H](CC(=O)N[C@H]1CCCSC1)c1ccncc1	161253596	TVXFYOWISSWLJN-AAEUAGOBSA-N	264.394	2.587	70	20	CFID	
Cc1cc(C[C@@H](C)NC(=O)CCC2CCCC2)n[nH]1	161440123	LVFWLQMQFRFFLT-LLVKDONJSA-N	263.385	2.736	70	20	CFID	
CS[C@@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161493185	YVPMKAHRMOHPII-VIFPVBQESA-N	279.365	2.977	70	20	CFID	
COc1ccc([C@H](NC(=O)NC2CC2)C(F)(F)F)cc1	161498775	MRBTXINUVSMECT-NSHDSACASA-N	288.269	2.760	70	20	CFID	
COC[C@H](NC(=O)Nc1cc(F)c(F)cc1F)C1CC1	160097997	RPDWXHYPUVPTQW-LBPRGKRZSA-N	288.269	2.650	70	20	CFID	
CN(Cc1cccn1C)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2	160429604	KONXHLLDWPPIFB-BFHYXJOUSA-N	260.381	2.810	70	20	CFID	
CCC(N)(CC)CNC(=O)c1c(Cl)cccc1OC	160543089	GETUJYGHTPGHSI-UHFFFAOYSA-N	284.787	2.596	70	20	CFID	
Cc1cccc(OC[C@H](C)NC(=O)[C@@H]2CC2(C)C)c1	160574432	XJZPQRXPTIOABF-JSGCOSHPSA-N	261.365	2.925	70	20	CFID	
Cc1cc(C)c2c(c1)[C@@H](NCC(C)(C)O)CCCO2	160640782	UFLYKAYNPWMMTR-AWEZNQCLSA-N	263.381	2.878	70	20	CFID	
CC[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1	160882804	ATERHQCISOMBFN-KBAYOESNSA-N	290.451	2.912	70	20	CFID	
C[C@H](CCO)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl	160994157	IKEUDSHQBFXBPB-RAIGVLPGSA-N	281.783	2.578	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2OCCc3ccccc32)ccn1	159801740	RWAKODFBZQBULZ-OAHLLOKOSA-N	268.316	2.643	70	20	CFID	
CCC[C@@](C)(O)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	159694629	RZJICLMUWMIUJO-UKRRQHHQSA-N	283.412	2.536	70	20	CFID	
Cc1cnc(C(=O)N[C@@H]2CCCc3sccc32)cn1	159919809	PBHSYRQFBRLQII-LLVKDONJSA-N	273.361	2.654	70	20	CFID	
CCC(=O)N[C@@H]1CCCN(CCC2CCCC2)C1	159941014	VIEICVPVWUJEPL-CQSZACIVSA-N	252.402	2.557	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1	161178988	RSCGTRCJDMUGRD-ZJUUUORDSA-N	287.190	2.993	70	20	CFID	
Cc1ccc(NC(=O)CC(C)(C)C#N)cc1S(=O)(=O)F	857675676	XFSBWHAYLXYEFC-UHFFFAOYSA-N	298.339	2.532	70	20	CFID	
C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)F)cc2)C(C)(C)C1	893669741	BKJWQNJFVXALRO-SNVBAGLBSA-N	299.367	2.605	70	20	CFID	
CC(C)c1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1	161065692	QBTQSFPHABHOJM-UHFFFAOYSA-N	297.420	2.657	70	20	CFID	
C[C@H](NCC1(c2ccc(F)cc2)CC1)[C@@H]1CCOC1	161352302	WDMWLAMCVUTEGO-QWHCGFSZSA-N	263.356	2.872	70	20	CFID	
CC1(C)CCC(CC(=O)NC[C@@]2(O)CCSC2)CC1	160222647	NRXWTTAVZMAWOZ-HNNXBMFYSA-N	285.453	2.577	70	20	CFID	
CCc1noc(C[S@](=O)c2ncc(C(C)(C)C)s2)n1	160482969	UYEMHDNFGJMCQL-LJQANCHMSA-N	299.421	2.694	70	20	CFID	
O=C(c1ccc(F)nc1)N1CC=C(C(F)(F)F)CC1	160585586	IWPSHWCOMLHDJC-UHFFFAOYSA-N	274.217	2.555	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl	160967102	YXYZHLTVYMZHSY-OTYXRUKQSA-N	280.755	2.814	70	20	CFID	
C[C@@]1(CNC(=O)NCc2cccc(F)c2)CCCS1	159946729	QQVUFAOOHOPQAD-AWEZNQCLSA-N	282.384	2.911	70	20	CFID	
CS[C@H](C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C	159380910	WOKKLULZZAVVMT-XQQFMLRXSA-N	273.442	2.840	70	20	CFID	
CSCCCCC(=O)NCc1nc(C)cs1	159383089	JVEQOSQYXTXXFN-UHFFFAOYSA-N	258.412	2.601	70	20	CFID	
CCCCNC(=O)Nc1cnn(CCCC)c1C	159752217	VDQNVMUBCBXLPD-UHFFFAOYSA-N	252.362	2.913	70	20	CFID	
CN(Cc1ccc(OC(F)F)cc1)C(=O)C(F)F	217596851	LQQLUXDRTSEFJR-UHFFFAOYSA-N	265.206	2.512	70	20	CFID	
C[C@H](O)[C@H](C)Sc1cc(Cl)nc(C2CC2)n1	218048530	LFJGSQUUXLLAHD-BQBZGAKWSA-N	258.774	2.869	70	20	CFID	
CO[C@@H]1C[C@@H](Nc2ncnc3c2CCCC3)C1(C)C	217812856	GVFRYBFPJLAEBZ-CHWSQXEVSA-N	261.369	2.581	70	20	CFID	
COCCN(CC(C)C)C(=O)c1cnn(CC(C)C)c1C	161061842	NZRHRDUOVTWDLC-UHFFFAOYSA-N	295.427	2.592	70	20	CFID	
COc1cc(F)c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OC	161176139	XLVOTTWFNITKJQ-QWRGUYRKSA-N	295.354	2.961	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)ncn1	161249440	IMDUYGAQBKOARQ-VIFPVBQESA-N	277.274	2.554	70	20	CFID	
Cc1ccc(CN[C@@H](C)c2cnc(C)nc2C)cn1	161282929	AIWPVUDQZGAZBS-NSHDSACASA-N	256.353	2.648	70	20	CFID	
C[C@H]1C[C@H](NCC2(c3ccc(F)cc3)CC2)CCN1C	161350326	DEALMQKHRKFFKX-XJKSGUPXSA-N	276.399	2.930	70	20	CFID	
c1cnn(-c2ccc(OCc3nccs3)cc2)c1	161364845	IGIUJXCJUPLTBL-UHFFFAOYSA-N	257.318	2.908	70	20	CFID	
Cc1ccc(CNC(=O)c2cccc(C)c2F)cn1	161462624	RLCFXJUKAURZDK-UHFFFAOYSA-N	258.296	2.768	70	20	CFID	
C[C@H](Oc1cccc(F)c1)C(=O)NCC1(C2CC2)CC1	160054311	VWATZMYNTGOVFL-NSHDSACASA-N	277.339	2.899	70	20	CFID	
CCCN(CCc1cccc(F)c1)C(=O)CCNC(C)C	160096562	IVURLEPGFCTTKE-UHFFFAOYSA-N	294.414	2.995	70	20	CFID	
CCC[C@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1	160104447	IBZDURDEMMPUNE-DOTOQJQBSA-N	274.408	2.694	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C1CC1)[C@@H](C)C1CC1	160132281	NTQPPEFGBNCFMJ-LBPRGKRZSA-N	296.411	2.691	70	20	CFID	
C[C@@H](CCO)NC(=O)N[C@@H](C)CCC1CCCCC1	160139313	CXYUCDWVPZUVMM-STQMWFEESA-N	270.417	2.806	70	20	CFID	
COc1cc(N[C@@H]2CCOC3(CCOCC3)C2)ccc1F	160302864	USUBKRDSMYOLMB-CYBMUJFWSA-N	295.354	2.974	70	20	CFID	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCCCCC1	160383018	FTXIUMHNCOFHQQ-UONOGXRCSA-N	266.385	2.530	70	20	CFID	
CCN1CC[C@H](NC[C@@H](C2CCCCC2)N(C)C)[C@H](C)C1	160399012	YHUNMIOACKNDMM-NJAFHUGGSA-N	295.515	2.817	70	20	CFID	
O=C(c1ccc2[nH]cnc2c1)N1CC=C(C(F)(F)F)CC1	160600208	FKCWYHCRTAMCEW-UHFFFAOYSA-N	295.264	2.898	70	20	CFID	
c1ccn2c(CN3CCC[C@H]3CN3CCCCC3)cnc2c1	159668075	NTROIUBAMMZITE-INIZCTEOSA-N	298.434	2.785	70	20	CFID	
CCN1CCCN(C(=O)N[C@H](C)c2ccc(C)cc2)CC1	159707158	RBWBVTCWQKTFDY-OAHLLOKOSA-N	289.423	2.793	70	20	CFID	
COc1cc(N[C@H](C)CCn2cccn2)cc(OC)c1	159365271	IUBCFTQQEMNZOM-GFCCVEGCSA-N	275.352	2.791	70	20	CFID	
CN(Cc1ccc(C(F)(F)F)cc1)[C@@H](CN)C1CC1	159659735	JMZQAZHMBGNOKB-ZDUSSCGKSA-N	272.314	2.875	70	20	CFID	
CCCn1nccc1CNC1CC(C)(C)NC(C)(C)C1	159985061	FIDFDTTXFNCWTG-UHFFFAOYSA-N	278.444	2.692	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1337519653	DPUKPLXMEATIEU-SNVBAGLBSA-N	287.356	2.509	70	20	CFID	
C[C@H](N[C@@H]1CCN2CCCC[C@@H]12)c1cccc(O)c1	217687449	GGXFZWPPOZNQBR-MAZHCROVSA-N	260.381	2.670	70	20	CFID	
CC[C@@H](SC)C(=O)N1CCc2c(F)cccc2C1	161040938	RDTZCBVSHCZWFE-CYBMUJFWSA-N	267.369	2.852	70	20	CFID	
CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2ccnc2C1	161326421	VHPSKDFNTGQMCS-HOTGVXAUSA-N	297.402	2.583	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1scnc1C(C)(C)C	160059600	RVJLDMWAXYMGQP-SECBINFHSA-N	298.408	2.512	70	20	CFID	
CC(C)(C)c1nsc(N2CCOC3(CCC3)C2)n1	160168339	XKBFEBSJNDPZNR-UHFFFAOYSA-N	267.398	2.595	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1cccn1C	160245679	KFBHVDFSKJXIHY-UHFFFAOYSA-N	283.375	2.838	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NC[C@H]1CCCN1CC(C)C	160401527	OUHSNNQRNFVLOP-FMKPAKJESA-N	266.429	2.659	70	20	CFID	
CCc1ccccc1C(=O)N(C)CCc1ccccn1	160757156	SELWULPGKSHVFF-UHFFFAOYSA-N	268.360	2.959	70	20	CFID	
COCC[C@H](C)N[C@@H](CCCO)c1ccccc1	160874233	SJQZIVRQSJWRPX-ZFWWWQNUSA-N	251.370	2.515	70	20	CFID	
CS[C@H](C)CC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1	160992295	ZGVCRZHSPVVLPW-IGQOVBAYSA-N	286.485	2.611	70	20	CFID	
Cc1cccc([C@H](NC(=O)c2cn[nH]c2)c2ccccn2)c1	159850149	HIUVGGICQZBDEX-INIZCTEOSA-N	292.342	2.633	70	20	CFID	
O=C(c1ccc(Cl)c(F)c1)N1CCOC[C@H]1C1CC1	159483664	PWGQPTVVDHVOSY-ZDUSSCGKSA-N	283.730	2.730	70	20	CFID	
Cn1cc(Cl)cc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159944948	ASCGMOFNNFZUAU-LBPRGKRZSA-N	296.798	2.900	70	20	CFID	
CCc1ncc(NC(=O)c2cc(F)cc3cccnc23)cn1	159374964	NHCDICIYWXVIOW-UHFFFAOYSA-N	296.305	2.979	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CSc1nncn1C(C)C	159572101	LFXDCYMQLYKICA-NWDGAFQWSA-N	296.440	2.646	70	20	CFID	
CCO[C@@H]1C[C@@H](NCc2cnn3ccccc23)C1(C)C	217871228	GGKBAJIKXNLARV-HUUCEWRRSA-N	273.380	2.628	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1cnn(C)c1	161060288	RLGUAZPINIDILP-CABCVRRESA-N	277.412	2.780	70	20	CFID	
CN(C)[C@H]1CCC[C@H](N[C@@H]2CC(C)(C)OC2(C)C)C1	161118290	QCJHHRNFJLNVEX-MELADBBJSA-N	268.445	2.795	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)CCCC2CCCC2)C1	161224613	UDBIJYLRTMLBJJ-UONOGXRCSA-N	252.402	2.733	70	20	CFID	
CCCCN(CCOC)C(=O)Nc1ccc(C)nc1	161344240	SZLWZKOUNAPADP-UHFFFAOYSA-N	265.357	2.670	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@@H]2c2nncn2C)cc1	161353763	GXUWJSIYRGBMNK-OAHLLOKOSA-N	298.390	2.533	70	20	CFID	
CC[C@H](C)OCC(=O)NC1CCN(C2CCCCC2)CC1	160031128	SXXJNWYKECZOAW-AWEZNQCLSA-N	296.455	2.715	70	20	CFID	
CC(C)OC(=O)CCCNc1nc(C(C)C)ns1	160258020	BOTSVGMAJWWFER-UHFFFAOYSA-N	271.386	2.805	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2ccccc2o1	160331022	MUPODMWDMJTQBL-JTQLQIEISA-N	275.304	2.504	70	20	CFID	
CCCN(CC)c1ccc(C(=O)N2CCSCC2)cn1	160389645	DZNNATGOYUKAHV-UHFFFAOYSA-N	293.436	2.507	70	20	CFID	
C[C@H](CO)CNC(=O)C1(c2cccc(F)c2)CCCCC1	160507562	TYHUKFSEDRFKSF-ZDUSSCGKSA-N	293.382	2.772	70	20	CFID	
N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1	160677672	XLJVKWKHANBTSF-AAEUAGOBSA-N	292.354	2.680	70	20	CFID	
Cc1ccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)cc1F	159629878	WDBNUIFHFNNSNC-NSHDSACASA-N	290.342	2.615	70	20	CFID	
COc1cccc(CCCN(C)C[C@H]2CCC[C@@H]2O)c1	159866445	ZGQGWCMXBDSYLO-WBVHZDCISA-N	277.408	2.721	70	20	CFID	
CCCNC(=O)[C@@H]1CCCN(CCC2CCCC2)C1	159875160	ZJXUMYHREAKWPM-OAHLLOKOSA-N	266.429	2.805	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)Cn1nc(C)c(Cl)c1C	159517472	KLUUIHNUXJXJPK-VXGBXAGGSA-N	283.803	2.848	70	20	CFID	
CCCN1CC[C@H](CNC(=O)NCC2(C3CC3)CCC2)C1	159764179	YGXXPXMBAJLZSE-CQSZACIVSA-N	293.455	2.598	70	20	CFID	
Cc1cc(C(=O)NCC2(N)CCCCC2)ccc1F	159653392	ZQVQLRVPMCCCTO-UHFFFAOYSA-N	264.344	2.526	70	20	CFID	
CN(C(=O)c1csc2ccccc12)[C@H](CN)C1CC1	159822527	HJBXWJCDLFDPEU-CYBMUJFWSA-N	274.389	2.711	70	20	CFID	
CC[C@@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	160385726	XAQQSEILSGQCQG-OWCLPIDISA-N	272.392	2.533	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc(Cl)cc1O	160514019	KHOSDUBBYZTDKJ-UHFFFAOYSA-N	278.739	2.656	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1	160966978	SWUQHLTVTBPNKV-ZJUUUORDSA-N	287.190	2.993	70	20	CFID	
CCc1nnc(CN2CCC[C@H]2c2cccc(C)n2)o1	160211121	JXWILAWHIPMXKT-ZDUSSCGKSA-N	272.352	2.673	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1nnc(C(F)(F)F)s1	161021803	SQWBGCPOXYARTI-MLUIRONXSA-N	279.287	2.932	70	20	CFID	
C[C@@H](CC(=O)N1CCSC(C)(C)C1)c1ccncc1	161070567	LXXNSSPESDJPNH-LBPRGKRZSA-N	278.421	2.929	70	20	CFID	
CN(C)CC[C@H](NC(=O)NC1(C)CCC1)C(C)(C)C	161321425	BTWUJAYRLPYFIE-LBPRGKRZSA-N	269.433	2.595	70	20	CFID	
CC[C@@H](C)N(C(=O)CCCC(=O)OC)[C@H](C)CC	160134846	UVLOUPRLYXWATF-VXGBXAGGSA-N	257.374	2.755	70	20	CFID	
CS[C@@H](C)CC(=O)NCCCN(C)c1ccccc1F	160631213	GEZTUEGCPPAKDP-LBPRGKRZSA-N	298.427	2.910	70	20	CFID	
CCc1ccc(CC(=O)NCc2nccs2)cc1	160737568	UBZILWQSSOMQLV-UHFFFAOYSA-N	260.362	2.564	70	20	CFID	
CCCC1(CNC(=O)[C@@H]2CCCCN2CC)CC1	160747500	FLODLYKLJLQHKW-ZDUSSCGKSA-N	252.402	2.557	70	20	CFID	
CCOC(=O)CC1CCN(Cc2nccn2C(C)C)CC1	160764319	SITXXNCQYKXFCA-UHFFFAOYSA-N	293.411	2.629	70	20	CFID	
CCCC1(CN[C@@H](C(N)=O)c2ccc(F)cc2)CC1	160772479	YCVDBEYEMCFWOH-CYBMUJFWSA-N	264.344	2.522	70	20	CFID	
CCc1c(C(=O)N(C)CCC2CC2)cnn1CC(C)C	160979173	KOPHGGFLFKWPTF-UHFFFAOYSA-N	277.412	2.974	70	20	CFID	
Cc1nc2cc(N[C@H](C)CCn3cccn3)ccc2n1C	159473599	VPITXZIDEAAARC-GFCCVEGCSA-N	283.379	2.969	70	20	CFID	
CN1CCC(CNC(=O)C2CCC(C)(C)CC2)CC1	159725065	LWTFMTVLOZJXPL-UHFFFAOYSA-N	266.429	2.661	70	20	CFID	
CC1(C)CC(Nc2ccc(C(N)=O)nn2)CC(C)(C)C1	159387716	HLGVGPZWDUPDLG-UHFFFAOYSA-N	276.384	2.592	70	20	CFID	
CC[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)OC	159491524	GTNSEWWCJJHCEJ-JOYOIKCWSA-N	287.306	2.890	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C1CCC(C)(C)CC1	160794475	VNVPJBCFJCHSOO-ZDUSSCGKSA-N	255.402	2.726	70	20	CFID	
Cc1cccc(CSCC(=O)N2CCC(C)(O)CC2)c1	161266622	SOUCZBHWZAYJKS-UHFFFAOYSA-N	293.432	2.602	70	20	CFID	
COc1ccc(O)c(C(=O)NCC2(c3ccccc3)CC2)c1	218261512	TVDRAYQLFUPMSW-UHFFFAOYSA-N	297.354	2.862	70	20	CFID	
C/C=C(/CC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460087456	AQKUGOKNVALIRV-OQFOIZHKSA-N	271.313	2.640	70	20	CFID	
O=C(Oc1ccccc1)c1ccc(S(=O)(=O)F)cc1	865206303	YSHKBAGXNNLAJA-UHFFFAOYSA-N	280.276	2.564	70	20	CFID	
CN1CCC[C@@H]1CNCc1nc(-c2ccccc2)cs1	218235845	FFYAVBPYSGCKLN-CQSZACIVSA-N	287.432	2.994	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NC[C@@H](C)CN2CCCC2)on1	161077974	OFHDRUSYYIJBFG-CHWSQXEVSA-N	293.411	2.650	70	20	CFID	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H](N)C(C)(C)C	161421478	POXOXIYPCFAEPZ-AEGPPILISA-N	274.408	2.764	70	20	CFID	
COC[C@@H](NCCOc1ccccc1C)C(C)C	161357009	NERXKTFBCSDRIH-CQSZACIVSA-N	251.370	2.634	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N(C)CC2CC2)n1	160195375	CDMCDQNVQMBCSH-UHFFFAOYSA-N	264.373	2.803	70	20	CFID	
CC(C)(C)n1ncc2c(NCCc3ccco3)ncnc21	160330093	ANSBXLJRZVWJKW-UHFFFAOYSA-N	285.351	2.829	70	20	CFID	
COc1ccc(O)c(C(=O)Nc2ccc(F)c(OC)c2)c1	160408869	ZHOGFQXYMMHRBM-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1	160450334	KJDPQWQWMBBWKO-GFCCVEGCSA-N	283.803	2.518	70	20	CFID	
CCOC(=O)c1cccnc1N[C@H]1CCO[C@@H](C2CC2)C1	160452374	DEFDFRRMZVDXRT-GXTWGEPZSA-N	290.363	2.628	70	20	CFID	
CC1(C)C[C@@H](NCc2ccc(N3CCCC3)nc2)CCO1	160468705	TVGQOLATDDZRLY-HNNXBMFYSA-N	289.423	2.729	70	20	CFID	
COC[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)C1CC1	160503264	LVKAEOWAWUCZME-LLVKDONJSA-N	288.269	2.650	70	20	CFID	
CCCC1(CNC(=O)C[C@H]2C(=O)Nc3ccccc32)CC1	160535166	GXGCBGUIIGJPTI-CYBMUJFWSA-N	286.375	2.809	70	20	CFID	
CCN(CC)CCC[C@@H](C)NC(=O)C[C@H](C)SC	160645213	UCGWVCLAGCYFRS-OLZOCXBDSA-N	274.474	2.755	70	20	CFID	
C/C=C(\C=C\C(=O)Nc1ccc2oc(=O)n(C)c2c1)CC	160653563	DWOZNECMSYZGNP-RAERUFQZSA-N	286.331	2.983	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)[C@H](C)CCc1cccc(F)c1	160721943	MUBMMTRJPUZBKQ-CJNGLKHVSA-N	295.398	2.918	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)[C@H](C)CCc1ccccc1F	160744600	AOIKUSJOJBDJGU-CJNGLKHVSA-N	295.398	2.918	70	20	CFID	
CCOC(=O)CN(CCCc1cccc(OC)c1)C1CC1	159604128	HQCLLEUFJHBRED-UHFFFAOYSA-N	291.391	2.655	70	20	CFID	
Cc1nc(CC(C)C)c(NC(=O)C[C@@H]2COC(=O)C2)s1	159639503	UDDNWCHPDSMZGC-JTQLQIEISA-N	296.392	2.542	70	20	CFID	
C[C@H]1CCN(C(=O)NCc2cn3ccccc3n2)C[C@H]1C	159888317	SAZDEBAZYWVMPI-QWHCGFSZSA-N	286.379	2.522	70	20	CFID	
Cc1cccc(C)c1NC(=O)[C@H](C)Nc1cc(C)n(C)n1	159585513	AWTVHOLUJSTICK-ZDUSSCGKSA-N	286.379	2.784	70	20	CFID	
Cc1oc2ccccc2c1CN1CCC(CC(N)=O)CC1	159781348	XVGXPTKDFXMZJA-UHFFFAOYSA-N	286.375	2.829	70	20	CFID	
C/C=C(\C=C\C(=O)Nc1nnc(CC)s1)CC	159988664	HTYQMJAAEXPRFB-KCKXTUGSSA-N	251.355	2.952	70	20	CFID	
C[C@H](NC(=O)CNCC(F)(F)F)C1CCCCCC1	160631626	UAIROADETRUYJB-JTQLQIEISA-N	280.334	2.613	70	20	CFID	
COCCCC(=O)N[C@H]1CCCc2sccc21	159900207	OYMGFHUNILOLMV-NSHDSACASA-N	253.367	2.668	70	20	CFID	
Clc1cc(N[C@H]2CCSC2)nc(C2CC2)n1	218046095	WWUBKAPXNAOGJK-QMMMGPOBSA-N	255.774	2.925	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CCc2ccc(F)cc2C1	161480424	OXVSWWPPBZTILL-ZBEGNZNMSA-N	289.350	2.716	70	20	CFID	
COC[C@H](Nc1nnc(C(F)(F)F)s1)C(C)C	160176755	CUABIBGIGTYAGF-LURJTMIESA-N	269.292	2.640	70	20	CFID	
COc1ccc([C@H](C)N[C@H](CCO)CSC)cc1F	160218637	LWYJXAHKJKWYOI-CMPLNLGQSA-N	287.400	2.599	70	20	CFID	
CC(C)n1nccc1C(=O)N1CCc2c(F)cccc2C1	160822107	MTPDPXLJSGCFKQ-UHFFFAOYSA-N	287.338	2.802	70	20	CFID	
CC(=O)NCCCN1CC2(CCCC2)c2c(F)cccc21	160903477	SGFIEIOTYODKCX-UHFFFAOYSA-N	290.382	2.984	70	20	CFID	
CC(C)c1noc(CCNc2nc(C(C)(C)C)ns2)n1	159411098	DQAHDIFEQZHMON-UHFFFAOYSA-N	295.412	2.997	70	20	CFID	
Cc1cc(N[C@@H](C)c2nc(-c3ccccc3)no2)nn1C	159648601	RRNIPKQVTWJGMB-NSHDSACASA-N	283.335	2.952	70	20	CFID	
CC(C)c1ccc(C(=O)OCc2cccnc2)cn1	159466302	ROZASVFWZPAYAC-UHFFFAOYSA-N	256.305	2.957	70	20	CFID	
C[C@@H]1C[C@@H](NC[C@@H](C)N2CCc3ccccc32)CCN1C	159904333	BWALXUPBBQXJRV-INMHGKMJSA-N	287.451	2.510	70	20	CFID	
CSC[C@@H](C)C(=O)Nc1ccc2nc(N(C)C)oc2c1	159916994	VWWRANSLNIFFGS-SECBINFHSA-N	293.392	2.831	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cncn2)cc1	159742058	SRMICUOANSCWHV-DOMZBBRYSA-N	284.363	2.576	70	20	CFID	
CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)cc1	161394847	AXSIILLTXPJCAB-LSDHHAIUSA-N	260.381	2.810	70	20	CFID	
C[C@@H]1CCC[C@@H](OC[C@@H](C)CS(=O)(=O)Cl)C1	112159676	TVBAECUVURECRR-GMTAPVOTSA-N	268.806	2.786	70	20	CFID	
CC(C)C(C)(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	809280607	AKTWDGZKPPAPPL-UHFFFAOYSA-N	287.356	2.966	70	20	CFID	
CC(C)CC[C@H](C)NC(=O)N[C@@H](CCO)C(C)(C)C	161160384	BOCLHGHMQXDCTA-STQMWFEESA-N	272.433	2.907	70	20	CFID	
CCNCC1CCN(C(=O)[C@H](C)c2cccs2)CC1	161054627	APBJBQYHRKPTAU-GFCCVEGCSA-N	280.437	2.700	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(F)cc2C)CC1	161116443	XLHGFEYEXHSDQG-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
CC(C)Oc1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1	161139668	WSEQXZNUIZPILO-HNNXBMFYSA-N	278.352	2.774	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1CCCNC1)c1ccc(F)cc1F	161209682	XAOXASBLRAAMDW-IINYFYTJSA-N	282.334	2.532	70	20	CFID	
CCc1cccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	160000650	URZOBPHQJJEREZ-XBXGTLAGSA-N	262.353	2.674	70	20	CFID	
Cc1ccc(C)c(OCC(=O)NCC2(C3CC3)CC2)c1	160154439	VLZRJEWTYXZSRG-UHFFFAOYSA-N	273.376	2.989	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CC[C@@H]1CCCO1	160225971	CAZRYOVJRDLPKJ-SWLSCSKDSA-N	289.375	2.758	70	20	CFID	
CN(C[C@H]1CCCC[C@@H]1O)c1nc(C(C)(C)C)ns1	160295466	KUQVQYUISSESHL-MNOVXSKESA-N	283.441	2.823	70	20	CFID	
Cc1cc(CC(=O)N[C@@H]2CCCc3sccc32)n[nH]1	160298378	FOJPGEFJULUSQV-GFCCVEGCSA-N	275.377	2.516	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccccc1Cl	160424337	WJCYNHRFSDBTOX-UHFFFAOYSA-N	262.740	2.951	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)[C@H]1CCCOC1	159842955	MXGNRRAKSNBQSR-JQWIXIFHSA-N	265.378	2.668	70	20	CFID	
C[C@@H]1C[C@H](NC[C@@H](C)N2CCc3ccccc32)CCN1C	159904077	BWALXUPBBQXJRV-BFYDXBDKSA-N	287.451	2.510	70	20	CFID	
Cc1ccc(CNC(=O)C(C)(C)F)c(O[C@H]2CCOC2)c1	159920673	MIFPNFXZXMKNGF-ZDUSSCGKSA-N	295.354	2.527	70	20	CFID	
CC(C)c1cc(CNC(=O)CCCn2cccc2)on1	159549314	FQPXKDYGYWSZDU-UHFFFAOYSA-N	275.352	2.696	70	20	CFID	
CC[C@H](N[C@H](C)c1ccccc1OC(F)F)C(=O)OC	159515683	RSECRCQURUJHTE-KOLCDFICSA-N	287.306	2.890	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@H](C)c1ccccc1	160468086	RGVUMGWOVKDSFD-ZDUSSCGKSA-N	262.397	2.814	70	20	CFID	
COC(=O)c1ccc(N[C@H]2CCOC(C)(C)C2)nc1C	160850574	LQHIIBRKEUGUJU-NSHDSACASA-N	278.352	2.546	70	20	CFID	
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H](C)CC(N)=O	161363227	WHXBZOLHGYQJBW-DTWKUNHWSA-N	283.441	2.664	70	20	CFID	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2CO)o1	218054554	UMSYHTWJDONMIX-MYZSUADSSA-N	291.391	2.613	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)NCC(C)C	160281286	BVTCSCVCYXLXEL-CYBMUJFWSA-N	262.353	2.638	70	20	CFID	
CNC[C@@H]1CCCN([C@@H](C)c2cc(F)ccc2F)C1	218067296	WXHDGIXEYOCWQL-RYUDHWBXSA-N	268.351	2.957	70	20	CFID	
C[C@H](NC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1	161119907	MZRQLHQBOZPTGQ-JSGCOSHPSA-N	278.396	2.844	70	20	CFID	
CC(=O)NC1CCC(Nc2cc(F)ccc2C)CC1	161125762	CLJJPMYGSKZWJU-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N1CCN(C)C[C@@H]1c1ccccc1	160120654	UGVZSPHVLLKRMF-LZLYRXPVSA-N	286.419	2.938	70	20	CFID	
CNC(=O)c1ccc(NC(=O)c2ccoc2)c(Cl)c1	160248019	ZYWNBNIBCFLGDC-UHFFFAOYSA-N	278.695	2.545	70	20	CFID	
CCCc1csc(-c2ccc(S(=O)(=O)NC)cc2)n1	160648538	FQRHDXFJNPBUOV-UHFFFAOYSA-N	296.417	2.671	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CCOc3ccncc32)o1	160847983	JHJRUKJKJVTQIY-AATRIKPKSA-N	284.315	2.676	70	20	CFID	
COc1cccc(C(=O)NC2CC=CC2)c1OC(F)F	160963081	HJSKXYRYSDRDTB-UHFFFAOYSA-N	283.274	2.745	70	20	CFID	
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCCO1	159451654	SBXQGUDGTRKSBA-DZGCQCFKSA-N	261.365	2.693	70	20	CFID	
CCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	159904050	CHERWLBMVPFNNH-GDBMZVCRSA-N	289.423	2.701	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159716842	LDNIMBRCQPPYDU-SOUVJXGZSA-N	292.448	2.519	70	20	CFID	
CC[C@@H](NC(=O)CC1CCNCC1)c1ccc(F)cc1F	159728880	PRTFEYOETRFNRA-OAHLLOKOSA-N	296.361	2.922	70	20	CFID	
O=C(N[C@H]1CCOC1)N1CCC2(CCCCC2)CC1	159371575	UGZVTQAPGNXJLM-ZDUSSCGKSA-N	266.385	2.531	70	20	CFID	
C[C@@H](Oc1ccccc1)C(=O)NCC1(C2CC2)CC1	159997950	OZSCKZXCJJCWLX-GFCCVEGCSA-N	259.349	2.760	70	20	CFID	
Cc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)c(F)c1	160145030	GSLRELPAKWQWQY-UHFFFAOYSA-N	283.368	2.603	70	20	CFID	
C[C@H](c1ccccc1)[C@H](F)CS(=O)(=O)Cl	1537958948	OWOZSYPVYNHISZ-PSASIEDQSA-N	250.722	2.697	70	20	CFID	
C[C@@H](NCC12CC3CC(CC(C3)C1)C2)c1nncn1C	216824539	BMDXFFPPHPSLQO-UWJCENJNSA-N	274.412	2.682	70	20	CFID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCSC1	161050058	OIVPMFBWXRBPDI-AWEZNQCLSA-N	298.496	2.708	70	20	CFID	
CCOCc1cccc(NC(=O)c2ccc(O)nc2C)c1	161143646	OQXZTPGLDFQYOF-UHFFFAOYSA-N	286.331	2.884	70	20	CFID	
Cc1onc(-c2ccccn2)c1C(=O)N(C)C1CCC1	161144099	MASHILRHUIFBHA-UHFFFAOYSA-N	271.320	2.670	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)c2cc(C)sc2C)ncn1	161505854	PVEJRDQBZSSBPD-JTQLQIEISA-N	275.377	2.954	70	20	CFID	
C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCOC3(CCCC3)C2)O1	160143468	HRDLQFQLGJSAHD-RBSFLKMASA-N	295.423	2.942	70	20	CFID	
Cc1cccc(N2CCN(C(=O)c3[nH]c(C)cc3C)CC2)c1	160209646	STFPWRSZNCFNQN-UHFFFAOYSA-N	297.402	2.902	70	20	CFID	
Cc1ccc([C@H](C)NCCN2CCC(N(C)C)CC2)cc1	160279560	PYCXVOQZFAZUJQ-INIZCTEOSA-N	289.467	2.672	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@H](C)C1CCOCC1	160458403	FGULEAKQGWNOSX-NWDGAFQWSA-N	256.390	2.535	70	20	CFID	
CC[C@H](NC(=O)Nc1ccc(F)cc1OC)[C@@H]1CCCO1	160540681	WXRYZIRSIAQANW-AAEUAGOBSA-N	296.342	2.913	70	20	CFID	
Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H](C)N)c1	160984342	SMCCYTNIFZPSIR-UKRRQHHQSA-N	260.381	2.786	70	20	CFID	
Cc1nc(SCc2nnc(C)n2C)n(CC(C)C)c1C	160996328	BHANJBBJOHAVKD-UHFFFAOYSA-N	293.440	2.885	70	20	CFID	
O=C(CCc1ccncc1)N[C@H]1CCOC2(CCCC2)C1	159445940	AIBJBDPVFUTIGL-HNNXBMFYSA-N	288.391	2.622	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](N)CC(C)C)c1ccc(F)cc1F	159725642	MHNYCZODKZJVOI-UONOGXRCSA-N	284.350	2.906	70	20	CFID	
O=C(Nc1ccccc1N1CCCC1=O)C1=CCCC1	159953263	UQNJKGGBQITQHD-UHFFFAOYSA-N	270.332	2.862	70	20	CFID	
Cc1ccc(F)c(C(=O)NCC2(N)CCCCC2)c1	159559197	BACBEWJLAJQALL-UHFFFAOYSA-N	264.344	2.526	70	20	CFID	
CCO[C@@H]1C[C@H](NCc2cc(OC)ccc2OC)C1(C)C	217893836	NTRVHCLJYIFGES-JKSUJKDBSA-N	293.407	2.997	70	20	CFID	
CCCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674192	FDLQULMFRNOQAX-UHFFFAOYSA-N	277.292	2.613	70	20	CFID	
CCNCC1CCN(C(=O)C[C@H](CC)C(C)C)CC1	161003145	OZEAGVPNUONABV-HNNXBMFYSA-N	268.445	2.907	70	20	CFID	
CCCC[C@@H](NCc1cccc2cc[nH]c12)C(=O)OC	161043821	WXKKKZYYDWOFGM-CQSZACIVSA-N	274.364	2.989	70	20	CFID	
CCC(CC)(CN)C(=O)NCc1cc2ccccc2o1	161185621	HNWWIUVPTHBYHN-UHFFFAOYSA-N	274.364	2.814	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2cnc(C3CC3)nc2)C[C@@H]1C	161243643	WYBPMEXRLDFPEU-QWRGUYRKSA-N	274.368	2.864	70	20	CFID	
C[C@H](NC(=O)Nc1cccc2c1OCCO2)C1CCC1	161470269	LDERABNOJWDLGK-JTQLQIEISA-N	276.336	2.768	70	20	CFID	
CC[C@@H](NCCN(C)Cc1ccc(F)cc1)[C@H]1CCOC1	160135793	HYINQECMUWEGFT-DOTOQJQBSA-N	294.414	2.662	70	20	CFID	
Cc1nc2ccccn2c1CN(C)CC(F)(F)F	160160484	RJHZTRZQHAPZTJ-UHFFFAOYSA-N	257.259	2.637	70	20	CFID	
FC(F)(F)c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)nn1	160355926	LMXOSSFWZQIZAT-UWVGGRQHSA-N	287.285	2.865	70	20	CFID	
Cn1c(C(=O)N2CCC[C@H]2C2CCCCC2)cccc1=O	160367053	WBAMWMWUHMCBPF-AWEZNQCLSA-N	288.391	2.570	70	20	CFID	
C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160856402	DCRAUBTTYMDDNQ-UPJWGTAASA-N	251.370	2.641	70	20	CFID	
CC[C@@H](CCO)NC(=O)CC1CCC(C)(C)CC1	159454247	NIJHVEYXVHNAPR-ZDUSSCGKSA-N	255.402	2.870	70	20	CFID	
CCS[C@H]1CCCCN(C(=O)CCNC(C)C)C1	159765189	NIUQOSHBSQLZHM-ZDUSSCGKSA-N	272.458	2.509	70	20	CFID	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1(C)CC1	159768527	BVKCTJSCDGGGSF-UHFFFAOYSA-N	277.364	2.852	70	20	CFID	
Cc1cc(C)cc(OCCCN(C)[C@H](CN)C2CC2)c1	159978037	WIFRWEZMEBYWQG-QGZVFWFLSA-N	276.424	2.741	70	20	CFID	
CCCn1nccc1CNC[C@@H](C(CC)CC)N(C)C	159990616	MMMYFJNTHLQHHN-INIZCTEOSA-N	280.460	2.749	70	20	CFID	
CC(C)(C)C[C@H](CO)Nc1ncnc2c1CCCC2	161443243	DZNGTSALRYPCEE-LLVKDONJSA-N	263.385	2.564	70	20	CFID	
CCC[C@@H](N)C(=O)Nc1ccccc1OC(C)(C)C	160945661	BFLIBKJHYOFIFB-LLVKDONJSA-N	264.369	2.930	70	20	CFID	
CC(C)n1cccc1-c1nc(-c2cnccn2)no1	160891628	YFGRUMMWULJPRN-UHFFFAOYSA-N	255.281	2.576	70	20	CFID	
CC[C@H](NC(=O)C[C@H]1COC(=O)C1)c1ccc(Cl)cc1	161099496	DKGGDIHHHKSOOK-MFKMUULPSA-N	295.766	2.861	70	20	CFID	
COc1cccc([C@H]2CCCN2C(=O)c2cc(C)ncn2)c1	161360739	VIDXTZPJEAEXHB-MRXNPFEDSA-N	297.358	2.771	70	20	CFID	
COc1ccc(CSc2ncnc3[nH]cnc23)cc1F	161366248	FTNWOQKDLMQFTB-UHFFFAOYSA-N	290.323	2.793	70	20	CFID	
Cn1cccc1C(=O)N[C@H]1CCCc2sccc21	160164539	VCXYCWQZOYWDGK-NSHDSACASA-N	260.362	2.894	70	20	CFID	
COCCC1(C(=O)N[C@H]2CCc3ccccc32)CCC1	160264736	LSVLYGJTQDEIMO-HNNXBMFYSA-N	273.376	2.997	70	20	CFID	
COc1ccc(NS(=O)(=O)c2ccc(C)s2)c(C)n1	160666359	KREJYOARAJLLSH-UHFFFAOYSA-N	298.389	2.569	70	20	CFID	
NC(=O)[C@H](Nc1cccc(OCCF)c1)c1ccccc1	160889792	FPXWBJILUXZEQU-OAHLLOKOSA-N	288.322	2.673	70	20	CFID	
CO[C@]1(C)C[C@H](N(C)Cc2cnc3ccccn23)C1(C)C	160899303	GRVSLKZOXLOPRS-WMLDXEAASA-N	287.407	2.970	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@H]1CCC[C@H](N(C)C)C1	160904974	QEFNDLCZDCSWRR-IHRRRGAJSA-N	269.433	2.593	70	20	CFID	
Cc1csc(COC(=O)c2cc(C(C)C)on2)n1	159584822	CFRHLQRPDFOJEQ-UHFFFAOYSA-N	266.322	2.920	70	20	CFID	
COc1ccc(N(C)C(=O)CC[C@@H]2CCCO2)cc1F	159640967	AJFZBUKIZUBVDK-LBPRGKRZSA-N	281.327	2.756	70	20	CFID	
Cc1ccc2[nH]c(C(=O)NCC[C@@H](O)C(C)C)c(C)c2c1	159471925	HDXTZKLGJFSXAW-OAHLLOKOSA-N	288.391	2.922	70	20	CFID	
CC[C@@H](C)C[C@H](C)NC(=O)N1CCCN(CC)CC1	159920192	YATOMHLFGCRKBE-KGLIPLIRSA-N	269.433	2.548	70	20	CFID	
CC(C)(C)C1=CCN(C(=O)c2cncc(O)c2)CC1	160990946	OOQAKECRTJLORJ-UHFFFAOYSA-N	260.337	2.606	70	20	CFID	
CCCn1c(CNC[C@@H](O)CC(C)C)nc2ccccc21	218250702	QLYZDMHFKCFCAH-AWEZNQCLSA-N	289.423	2.943	70	20	CFID	
COC[C@H](NC[C@@H](C)COCc1ccccc1)C1CC1	161316110	UXMNLZOTNJQMQX-PBHICJAKSA-N	277.408	2.854	70	20	CFID	
CC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCC1	857674800	QLZZPYOMQSJHQV-UHFFFAOYSA-N	289.303	2.613	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@H](C)Sc1ccccc1	161012238	WBPQFEZUMIAKAJ-QWHCGFSZSA-N	281.421	2.690	70	20	CFID	
O=C(C[C@@H]1CCCN1)Nc1ccc(F)cc1OC(F)F	161085118	RPRRDJYYGJLSJC-VIFPVBQESA-N	288.269	2.508	70	20	CFID	
CC(C)CONC(=O)Nc1ccc2oc(N(C)C)nc2c1	161121041	JCHFQGUYSQTOHN-UHFFFAOYSA-N	292.339	2.603	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)COc2ccc3ccccc3c2)C1	161188634	GEVHBDIBAQXVFD-CVEARBPZSA-N	298.386	2.605	70	20	CFID	
COc1cc(F)c(C(=O)N2CCC(C)CC2)cc1OC	161240568	SDWHXFBUGPLKEC-UHFFFAOYSA-N	281.327	2.715	70	20	CFID	
CCc1ccc(/C=C/C(=O)NC[C@H](C)SC)o1	161337362	XMFNZKWZXYHCEP-JARNTUPDSA-N	253.367	2.723	70	20	CFID	
NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	161489906	KFDJOFBVDWCAGB-ZETCQYMHSA-N	286.175	2.977	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	161507415	MVCKDLCULBISOM-VNQPRFMTSA-N	281.359	2.532	70	20	CFID	
C[C@@H](CSCCN1CCOCC1)c1ccccc1	160033226	NBTJVNJXOIQETI-AWEZNQCLSA-N	265.422	2.856	70	20	CFID	
C(=C/c1nnc(SCCn2ccnc2)[nH]1)\c1ccccc1	160077045	PWACASIKHFWWJA-VOTSOKGWSA-N	297.387	2.964	70	20	CFID	
CC(C)NCCC(=O)N(CCc1cccc(F)c1)C1CC1	160114828	LRVVKQOPTAJPOK-UHFFFAOYSA-N	292.398	2.747	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H]2CCC[C@@H]21	160122773	MCUNERLYXNBRRS-KGLIPLIRSA-N	296.411	2.692	70	20	CFID	
COC[C@@H]1CCCN(C(=O)[C@H](C)c2ccsc2)C1	160208232	SZPOWBUPHBCORL-VXGBXAGGSA-N	267.394	2.737	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCc2cccnc2-n2cccn2)C1	160279060	FWWHMACHIBOAMS-KBPBESRZSA-N	298.390	2.710	70	20	CFID	
Cc1cc(NC(=O)Cc2ccc(O)cc2Cl)no1	160440207	WGIBFPRJADDJED-UHFFFAOYSA-N	266.684	2.523	70	20	CFID	
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(F)n1	160539835	JWENMJTXGXSNMP-UHFFFAOYSA-N	296.733	2.983	70	20	CFID	
CCOCCC1(C(=O)NCCc2ccco2)CCC1	160641024	FZTXGLNPEPNOAS-UHFFFAOYSA-N	265.353	2.535	70	20	CFID	
CCOCCC1(C(=O)N[C@H](C)c2cccnc2)CCC1	160669852	NIAJOLJVCWYWPQ-CYBMUJFWSA-N	276.380	2.856	70	20	CFID	
COCC(C)(C)C(=O)Nc1n[nH]c2c(Cl)cccc12	160759864	KQIWKLQUGWGCFZ-UHFFFAOYSA-N	281.743	2.827	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccco1	160822252	NENCEFHCZHEKIR-VIFPVBQESA-N	263.318	2.732	70	20	CFID	
CS[C@H](C)CC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1	160992399	ZGVCRZHSPVVLPW-AAVRWANBSA-N	286.485	2.611	70	20	CFID	
C[C@@H](c1ccccc1)N(C)C(=O)c1cnc2c(c1)ncn2C	159640382	UXJNWQNGMOHHSN-LBPRGKRZSA-N	294.358	2.802	70	20	CFID	
CC(C)[C@H](O)CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159761374	MLEVFAKZJQLSRY-BZUAXINKSA-N	275.392	2.846	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccnc(C)n2)cc1Cl	159976875	LZQULOKUWYQCRA-UHFFFAOYSA-N	291.738	2.724	70	20	CFID	
OCC1(CNCc2c[nH]nc2-c2cccs2)CCCC1	160119765	IKDSFVULTTWBJF-UHFFFAOYSA-N	291.420	2.781	70	20	CFID	
C[C@H]1CO[C@H](C)CN1CCCC(=O)c1ccc(F)cc1	218349247	NVOVVUSAVLORQI-QWHCGFSZSA-N	279.355	2.898	70	20	CFID	
Cc1ccccc1-c1cc(S(=O)(=O)Cl)on1	521400482	NOQXNYVALSYZTB-UHFFFAOYSA-N	257.698	2.578	70	20	CFID	
COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1O	161224226	AYYYQMOVECGJOE-UHFFFAOYSA-N	293.363	2.816	70	20	CFID	
COCCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161352592	FCUWRSBZAAPBKF-UHFFFAOYSA-N	277.324	2.652	70	20	CFID	
O=C(CCn1cccn1)N[C@@H]1CCCc2sccc21	160209041	MAQBCLZESQDYCQ-GFCCVEGCSA-N	275.377	2.529	70	20	CFID	
O=C1[C@@H](Oc2ccccc2F)CCCN1CC(F)(F)F	160527169	WURHTKOWAFAZMI-NSHDSACASA-N	291.244	2.758	70	20	CFID	
O=C(Nc1ccc(NC(=O)[C@@H]2CCCCO2)cc1)C1CC1	160534322	FSPPHZPYVDKTIW-AWEZNQCLSA-N	288.347	2.543	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccccc1N(C)C	160573004	PGHZQDMNSZMNIC-UHFFFAOYSA-N	293.411	2.673	70	20	CFID	
CC[C@@H](NCCSCC(=O)OC)c1ccc(F)cc1	160893030	ZUONFNNKTIOWSI-CYBMUJFWSA-N	285.384	2.773	70	20	CFID	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CSCN1	159691247	PFFNCQNJYZALJK-HUUCEWRRSA-N	292.448	2.861	70	20	CFID	
CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)CC1	159912235	FTCKFDNGDLWQGB-ZIAGYGMSSA-N	292.448	2.761	70	20	CFID	
CC(=O)N1CC[C@@H](NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1	159532345	AFCQQKHSSVVZHU-BPLDGKMQSA-N	294.439	2.576	70	20	CFID	
CCCCn1ncc(C(=O)N(C)Cc2ccco2)c1C	159935078	VZJVCBSKQLHZNS-UHFFFAOYSA-N	275.352	2.857	70	20	CFID	
Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC[C@H](N)C2)c1	159964491	GNEFCDCKMVJXRY-ZNMIVQPWSA-N	274.408	2.950	70	20	CFID	
CCOC(=O)CCCNC(=O)Nc1ccnc(C)c1Cl	159578269	RBICASAGGCZHHO-UHFFFAOYSA-N	299.758	2.508	70	20	CFID	
COC(=O)c1sccc1NC(=O)C1=CCCC1	159781392	PEMMNTNNFUMZKI-UHFFFAOYSA-N	251.307	2.584	70	20	CFID	
Cc1cc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)n(C)n1	159836968	RNWCWHCRPWUKDN-UHFFFAOYSA-N	299.161	2.870	70	20	CFID	
O=C(CC1CCCCCC1)N1CCC[C@H](CCO)C1	160428616	QGCBIWHKYRLNFF-OAHLLOKOSA-N	267.413	2.968	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1OCCCS(=O)(=O)Cl	112155136	IUXZOFOCTGNHEE-MNOVXSKESA-N	268.806	2.931	70	20	CFID	
Cc1nc(CSCc2cnc(Cl)s2)no1	161419401	RDGONJDQRYWBBU-UHFFFAOYSA-N	261.759	2.921	70	20	CFID	
CCNC(=O)CN(CC)C(=O)CC1CCC(C)(C)CC1	160008159	LZMSRZUNEGPOHC-UHFFFAOYSA-N	282.428	2.578	70	20	CFID	
CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](N)C1	160275500	QBJXBBGCNAQUSM-CABCVRRESA-N	266.429	2.789	70	20	CFID	
CCO[C@H]1C[C@H](N(C)Cc2cnc3ccccn23)C1(C)C	160569921	AGFVRXUSVUMGFY-GJZGRUSLSA-N	287.407	2.970	70	20	CFID	
Cc1cc(CNC(=O)NCC2CCC(C)(C)CC2)on1	160845002	ZOIPTKAXJXNOBY-UHFFFAOYSA-N	279.384	2.999	70	20	CFID	
C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)C1CCOCC1	160897880	ZIXBUTVWHRCOLC-HZPDHXFCSA-N	290.451	2.912	70	20	CFID	
CO[C@@]1(C)C[C@@H](N(C)Cc2cnc3ccccn23)C1(C)C	160899391	GRVSLKZOXLOPRS-PBHICJAKSA-N	287.407	2.970	70	20	CFID	
CO[C@@]1(CNCC[C@@H](C)c2ccccc2)CCOC1	160079510	DXNOXQKWOSYIBC-GDBMZVCRSA-N	263.381	2.575	70	20	CFID	
CC[C@H]1CCC[C@H](OCCS(=O)(=O)Cl)C1	112430548	VSBPTTQHAHAKFH-UWVGGRQHSA-N	254.779	2.540	70	20	CFID	
CCc1cc(OCCS(=O)(=O)Cl)ccc1Cl	108304202	XCGCABAHVNSSBJ-UHFFFAOYSA-N	283.176	2.850	70	20	CFID	
CC[C@H](NC(=O)[C@H](C)c1ccccc1)c1ncc[nH]1	218078577	ORZHIFHXFJLHCL-YPMHNXCESA-N	257.337	2.781	70	20	CFID	
CCc1ccccc1NCc1nnc2n1CCCC2	217317717	IJUSPVTXDQMSSG-UHFFFAOYSA-N	256.353	2.789	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N(C)c1ccc(OC)c(F)c1	161051911	LBKAZQNKGANNHC-SNVBAGLBSA-N	289.372	2.646	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)COCC1CC1	161118580	VFEWDSGTMGTAOP-KBPBESRZSA-N	253.386	2.840	70	20	CFID	
CCO[C@H]1C[C@@H](NC(=O)[C@@H](N)CC(C)C)C12CCCCC2	161182981	DINMGSCHLDJQLY-ZNMIVQPWSA-N	296.455	2.604	70	20	CFID	
CCCn1ccc2ccc(NC(=O)[C@@H]3CSCN3)cc21	161280874	WUSUDKCCWXBFGV-ZDUSSCGKSA-N	289.404	2.652	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@@H](C)CCc1cccn1C	161507703	AHDBDBCGQHFRES-ZDUSSCGKSA-N	288.395	2.554	70	20	CFID	
O=C(COc1ccccc1)N[C@@H]1CCOC2(CCCC2)C1	160045076	IXMRFSLFJKDREE-CQSZACIVSA-N	289.375	2.673	70	20	CFID	
CCn1nccc1CNc1ccc(C(=O)NC(C)C)cc1	160101034	QIVNMQWETIISJU-UHFFFAOYSA-N	286.379	2.653	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C(C)C)cc1	160143439	MIJPUFYSAYLGQN-GFCCVEGCSA-N	277.364	2.882	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)C(C)C)c1C	160272460	BYPUINHBEQCOEQ-UHFFFAOYSA-N	252.362	2.864	70	20	CFID	
COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(N)cc2)C1	160376698	UWWHVIVGDIKOTC-CQSZACIVSA-N	296.370	2.907	70	20	CFID	
CC[C@H](NC(=O)CCc1cccnc1)c1c(C)noc1C	160392133	SHJIDKSNLKTUIK-AWEZNQCLSA-N	287.363	2.887	70	20	CFID	
CCCC1(CNC(=O)CN(C)c2ccccc2)CC1	160462197	NNJAOOJWZJCPLK-UHFFFAOYSA-N	260.381	2.819	70	20	CFID	
Cc1cccc([C@H](C)CNC(=O)[C@@H](N)CC(C)C)c1	160738310	KCMHFOKCLFCNNJ-HIFRSBDPSA-N	262.397	2.588	70	20	CFID	
CO[C@@]1(C)C[C@@H](NC(=O)CCCn2cccc2)C1(C)C	159770041	DDRJMIXACPDMGQ-CJNGLKHVSA-N	278.396	2.588	70	20	CFID	
CC(C)c1nncn1CCNc1nc(C(C)(C)C)ns1	159774982	OFMPEHBUYYJKAL-UHFFFAOYSA-N	294.428	2.663	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cccs1	185104435	CCHDGLFSMOKRJB-UHFFFAOYSA-N	285.321	2.659	70	20	CFID	
O=S(=O)(F)CCN1CCSc2ccc(Cl)cc21	883954440	NPLCTFJONLYMFD-UHFFFAOYSA-N	295.788	2.551	70	20	CFID	
C[C@@H](C(=O)N[C@@H]1CCc2ccccc21)C1CCOCC1	161052335	KPVAPMQHHYCPIN-MLGOLLRUSA-N	273.376	2.853	70	20	CFID	
CC(C)[C@@H](O)C(C)(C)CNC(=O)NCC1(C2CC2)CCC1	160218132	AETIGZVKTVTJMS-CQSZACIVSA-N	296.455	2.909	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)NCc1ccco1	160280017	NNVYQTBEFOCNLD-CQSZACIVSA-N	286.331	2.775	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N1CCc2c(C)cccc21	160382055	DQRZLYPGAKIOBK-NSHDSACASA-N	267.394	2.733	70	20	CFID	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1	160908009	HBPINHLWWJLLAF-HUUCEWRRSA-N	293.455	2.739	70	20	CFID	
Cc1c(/C=C/C(=O)NC[C@H]2CCC[C@@H](C)C2)cnn1C	160941188	JKHBKMHILDHCDB-KHAURHHGSA-N	275.396	2.684	70	20	CFID	
CO[C@H](CNC(=O)C[C@@H](C)c1ccncc1)C(C)(C)C	160952299	GNSHTPHOZZNKCL-TZMCWYRMSA-N	278.396	2.753	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@@H]1C1CCC1	159449591	SMWPGHAYBKHOJX-CYBMUJFWSA-N	279.409	2.660	70	20	CFID	
COCC[C@@H](C)NC(=O)C(C)(C)c1ccc(OC)cc1	159716726	VSVVXZXUFXDFSH-GFCCVEGCSA-N	279.380	2.514	70	20	CFID	
CCC(=O)N[C@H]1CCCN(CCC2CCCC2)C1	159941092	VIEICVPVWUJEPL-AWEZNQCLSA-N	252.402	2.557	70	20	CFID	
CCC(=O)c1ccc(OC(=O)[C@@H]2CCCCO2)cc1	159558171	DTDPQLRYYJERIJ-AWEZNQCLSA-N	262.305	2.754	70	20	CFID	
CN(C[C@H]1CCCOC1)c1nc(C(C)(C)C)ns1	159388516	SZBBDJNVGQDSEU-SNVBAGLBSA-N	269.414	2.698	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@H]1CCC[C@@H](C)C1	160795176	JWLSDGDIUFPGND-KGLIPLIRSA-N	275.458	2.710	70	20	CFID	
COC(=O)[C@H](CC(C)C)NC(=O)C1CCC(F)(F)CC1	160996834	QVOTYERNVGOLMV-NSHDSACASA-N	291.338	2.516	70	20	CFID	
C[C@@H]1CC[C@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349532370	LTMVMMQEYPUGDS-MNOVXSKESA-N	299.367	2.511	70	20	CFID	
CC[C@H](C)N(C)CCNC(=O)Nc1cccc(C(C)=O)c1	217401546	YXEATTWGVWMXNQ-LBPRGKRZSA-N	291.395	2.741	70	20	CFID	
CCCCn1ncc(C(=O)N2CCC(C)CC2)c1C	161009778	SWWLHJCHXRUVGX-UHFFFAOYSA-N	263.385	2.864	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ccc(OC)cc1	161051168	YUZQJFVDWNVJOL-LJQANCHMSA-N	279.361	2.862	70	20	CFID	
O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CCCCO1	160127464	BJMDDVLGGICMBS-STQMWFEESA-N	277.389	2.909	70	20	CFID	
COCc1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1	160195483	GGCUPSZTEBBWHQ-UHFFFAOYSA-N	288.391	2.919	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)c1ccc(CC)cc1	160323220	SZGKEVRBKDLCHX-STQMWFEESA-N	291.391	2.810	70	20	CFID	
O=C(Nc1cnc2ccccc2c1)[C@H]1CCCCO1	160583648	AIHJENTYGSRZRG-CQSZACIVSA-N	256.305	2.742	70	20	CFID	
CCc1cc(O)nc(CN(C2CC2)[C@H](C)C2CC2)n1	160791351	RDTHENPRNJMOKD-SNVBAGLBSA-N	261.369	2.508	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)N1CCn2c1nc1ccccc12	160888931	WQUYZRRBCSZGIS-ZBEGNZNMSA-N	269.348	2.819	70	20	CFID	
CC(C)NC(=O)CN[C@H](Cc1ccc(F)cc1)C(C)C	160959784	ZCMZKHBEEQJINS-OAHLLOKOSA-N	280.387	2.507	70	20	CFID	
Cc1ccccc1OCCNC(=O)NC1(C)CCC1	159835760	IOFTVZVJLXUNSX-UHFFFAOYSA-N	262.353	2.616	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)CCOc1ccccc1	159444877	ISDMPHIQTDJQDM-ZBFHGGJFSA-N	261.365	2.960	70	20	CFID	
Cc1cccc([C@H]2CCCN2C(=O)C[C@@H]2COC(=O)C2)c1	159369692	YTNVOMUDEPAXDA-DZGCQCFKSA-N	287.359	2.612	70	20	CFID	
CCc1nc(CN[C@@H](C)c2cc(C)cc(C)c2)n[nH]1	160420110	JXLYREHVHSLDIT-LBPRGKRZSA-N	258.369	2.835	70	20	CFID	
C[C@H](c1ccccc1Cl)N(C)Cc1nncn1C	160814988	NWGCNJDFBFDQJS-SNVBAGLBSA-N	264.760	2.662	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864242270	ACIMRWTVBILKHQ-GXFFZTMASA-N	299.367	2.653	70	20	CFID	
Cc1ccc(S[C@H](C)C(=O)N[C@H](CO)CC(C)C)cc1	161006907	UIVZEWMACLFDPG-KGLIPLIRSA-N	295.448	2.999	70	20	CFID	
CCC(CC)c1cc(C(=O)NC[C@@H](C2CC2)N(C)C)on1	161152313	WMKCCVDLWOSXSG-AWEZNQCLSA-N	293.411	2.648	70	20	CFID	
NC1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1	161333547	DNNGXIDMWIWYSL-UHFFFAOYSA-N	278.327	2.577	70	20	CFID	
C[C@@H]1CN(C(=O)NCc2cccc(N(C)C)c2)CC[C@H]1C	161380616	MNJXHPPAIOIAIK-ZIAGYGMSSA-N	289.423	2.940	70	20	CFID	
CCOc1ccc(Cl)cc1CCN[C@H](C)COC	160007206	AAQCFFGZZZCKIC-LLVKDONJSA-N	271.788	2.906	70	20	CFID	
CCn1cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)ccc1=O	160036829	NGMASDMYGXLJDC-JSGCOSHPSA-N	289.379	2.665	70	20	CFID	
CCN(CC(C)C)C(=O)c1ccccc1OCCOC	160046948	PFLCNGLOTNRCPK-UHFFFAOYSA-N	279.380	2.830	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CCCCO1	160160135	FEPUHYMSLGZTEH-NEPJUHHUSA-N	265.378	2.811	70	20	CFID	
CCCNC(=O)CCNC(=O)C[C@@H]1CCCCC1(C)C	160244218	QYVCBSNNMUXEOF-ZDUSSCGKSA-N	282.428	2.625	70	20	CFID	
CCCCCOCC(=O)Nc1cc(C2CC2)nc(C)n1	160258643	UTERIVHZCDZPIT-UHFFFAOYSA-N	277.368	2.808	70	20	CFID	
CC[C@@H](C)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160424409	KPNLBAOHOUCUDY-RISCZKNCSA-N	278.352	2.774	70	20	CFID	
CCCC1(CNC(=O)CN(C)C(=O)c2cccs2)CC1	160584977	HIOOHOBCTFRSHU-UHFFFAOYSA-N	294.420	2.517	70	20	CFID	
CC[C@H](C(=O)Nc1cc(C)ccc1Cl)N(C)C	160780877	OAYTUEZIOWLCKD-GFCCVEGCSA-N	254.761	2.927	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(C)on2)n1	160896309	UCPQXAMZRABBTJ-UHFFFAOYSA-N	297.318	2.583	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1n[nH]c2ccccc12	159803484	HYMQPQIXZLYAJW-LBPRGKRZSA-N	299.374	2.785	70	20	CFID	
COC[C@@H](NCCOc1ccc(Cl)cc1)C1CC1	159651161	XECFWWWNSKKDET-CQSZACIVSA-N	269.772	2.733	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cncn2)cc1	159742346	SRMICUOANSCWHV-IUODEOHRSA-N	284.363	2.576	70	20	CFID	
COC[C@H](NC(=O)c1cccc2[nH]cnc12)c1ccc(C)o1	159782760	OLGACYHZFZRRBQ-ZDUSSCGKSA-N	299.330	2.582	70	20	CFID	
CC[C@@H](O)CN(Cc1ccccc1)c1nccc(C)n1	161015665	GEMVBNCLQACYCJ-OAHLLOKOSA-N	271.364	2.563	70	20	CFID	
Cc1cccc(OCCCS(=O)(=O)Cl)c1C	100495494	YZRONNPQTFEACP-UHFFFAOYSA-N	262.758	2.641	70	20	CFID	
CC[C@@H](C(=O)N1CC[C@]2(CCOC2)C1)c1ccc(F)cc1	161004550	KFFHDQPIBXSRFD-WBVHZDCISA-N	291.366	2.958	70	20	CFID	
Cc1cnc(NC(=O)c2cnn(CC(C)C)c2C2CC2)[nH]1	160042959	LTKVYMBIOXWXEW-UHFFFAOYSA-N	287.367	2.700	70	20	CFID	
CN(C(=O)CC[C@H]1CCCCO1)c1ccc2c(c1)OCO2	160087570	FLTLRCCLLBUZLR-CYBMUJFWSA-N	291.347	2.727	70	20	CFID	
CCCn1c(C)nnc1CN(C)[C@@H]1C[C@@](C)(OC)C1(C)C	160108618	VVNQLPFVFPMWJP-CZUORRHYSA-N	294.443	2.632	70	20	CFID	
CC(C)(C)C1CCC(CN2CCS(=O)(=O)CC2)CC1	160403142	MPPBIBGRHYYUFH-UHFFFAOYSA-N	287.469	2.569	70	20	CFID	
CC(C)OCCC(=O)NCCc1csc(C(C)(C)C)n1	160747399	JMJUEBMCDZUGDY-UHFFFAOYSA-N	298.452	2.914	70	20	CFID	
CCOc1ccccc1N(C)C[C@H](O)COCC(C)C	159431045	SYONURCMGFKSDV-AWEZNQCLSA-N	281.396	2.555	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)c1Cl	159393784	GWUPBWIXHJBYIZ-GXSJLCMTSA-N	297.786	2.811	70	20	CFID	
CCCn1nccc1CNc1ccccc1N(C)C	160056447	QMHRKEPPWFBJRC-UHFFFAOYSA-N	258.369	2.971	70	20	CFID	
CC[C@H](O)CN(Cc1ccccc1)c1nccc(C)n1	161015560	GEMVBNCLQACYCJ-HNNXBMFYSA-N	271.364	2.563	70	20	CFID	
O=C(/C=C\c1ccccc1)NCC1(O)CCCCCC1	218228392	RLSVTOJBPLFEEI-KHPPLWFESA-N	273.376	2.901	70	20	CFID	
CC(C)n1cc(NC(=O)c2cccc3[nH]cnc23)cn1	159360999	MVZMEJGHQSADKA-UHFFFAOYSA-N	269.308	2.593	70	20	CFID	
Cc1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1515237387	MBKJFPCKQDHVCT-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
c1nc2c(c(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)n1)CCCC2	160026577	CUOPEFBBKMOKCB-CFVMTHIKSA-N	285.391	2.725	70	20	CFID	
COC(=O)CCCC(=O)Nc1cncc(Cl)c1Cl	160108148	LHMODWGLEDYDCZ-UHFFFAOYSA-N	291.134	2.670	70	20	CFID	
CC1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1	160307587	VKQULXPCWCCYCU-GFCCVEGCSA-N	251.370	2.785	70	20	CFID	
CCC(CC)CNC(=O)N(CCOC)Cc1ccco1	160602279	NBEOTHDKKXAMHN-UHFFFAOYSA-N	282.384	2.874	70	20	CFID	
CC(C)CSCCCNC(=O)c1ccnn1C(C)C	160671093	LOZHSFFMZAIQLJ-UHFFFAOYSA-N	283.441	2.973	70	20	CFID	
CC(C)(C)c1nc(CCNC(=O)c2cccnc2)cs1	160709531	YNLQXHHHLMLNKC-UHFFFAOYSA-N	289.404	2.808	70	20	CFID	
CCN(C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160853380	FMJFIEFLPHJQAK-KBPBESRZSA-N	262.353	2.568	70	20	CFID	
Cc1ccc2[nH]c(C(=O)NCC[C@H](O)C(C)C)c(C)c2c1	159471791	HDXTZKLGJFSXAW-HNNXBMFYSA-N	288.391	2.922	70	20	CFID	
NC(=O)[C@@H](Sc1ccncc1)c1ccc(F)cc1	159917013	KYOIREPLGKSOON-LBPRGKRZSA-N	262.309	2.539	70	20	CFID	
CCN(C)C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159758263	KDZBYXGOZUWVHI-LLVKDONJSA-N	282.457	2.614	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@@H](C)c2cccs2)C[C@@H](C)O1	159782675	AIEDWXPWSPZWDF-GRYCIOLGSA-N	267.394	2.878	70	20	CFID	
CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123108527	KULPQNSRFQXWSB-SECBINFHSA-N	273.329	2.720	70	20	CFID	
CCN(CC)CCNc1ccncc1Br	159808612	VPSUCRHNMULGDH-UHFFFAOYSA-N	272.190	2.598	70	20	CFID	
CC(C)C1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	864242624	NRKUVEFXSSTTJN-UHFFFAOYSA-N	299.367	2.511	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@H](C)Oc1ccc(C)cc1	161179865	VCQSJNWKAWSNBA-AWEZNQCLSA-N	292.423	2.644	70	20	CFID	
CCC(CC)(CN)C(=O)Nc1cc(F)c(OC)cc1F	161252242	KKWVGVVRSPZUHZ-UHFFFAOYSA-N	286.322	2.677	70	20	CFID	
CC(C)c1nccc(N(CCCO)CC(C)(C)C)n1	161293381	OXFYPKQCABIGFC-UHFFFAOYSA-N	265.401	2.835	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1C	160104550	WRBXWMQPLYDCJY-UONOGXRCSA-N	298.427	2.938	70	20	CFID	
COc1ccc(OC)c(C(=O)NCC2(C3CC3)CC2)c1	160138633	BKMCXXNIAZRCDF-UHFFFAOYSA-N	275.348	2.624	70	20	CFID	
COc1cc(CNC(=O)N2CC[C@H](C)[C@H](C)C2)ccc1O	160161351	GVVVBLFWKATZHM-NWDGAFQWSA-N	292.379	2.588	70	20	CFID	
CN(CC1CC1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160195731	OOGMXFWIHZMVQI-HNNXBMFYSA-N	290.363	2.728	70	20	CFID	
COCc1ccccc1C(=O)N(C)c1ccc2c(c1)OCO2	160289029	QNOYFKHFARFRAL-UHFFFAOYSA-N	299.326	2.838	70	20	CFID	
Cc1nc2ccccn2c1CN1CCOC[C@H]1CC(C)C	160412986	MARLSFVUFJIJBM-OAHLLOKOSA-N	287.407	2.890	70	20	CFID	
C[C@H]1[C@@H](C)SCCN1Cc1cnc2ccccn12	160501639	CZQYNDZBWHTNCY-NWDGAFQWSA-N	261.394	2.660	70	20	CFID	
C/C(=C/C(=O)N[C@@H](CCO)C(C)C)c1ccccc1	160788017	ZQFQATIMISLIIA-HVCHUGMYSA-N	261.365	2.613	70	20	CFID	
O=C(NCCCO)Nc1ccc(Cl)cc1-n1cccc1	159407399	PLWKMVUXFAFIRS-UHFFFAOYSA-N	293.754	2.635	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CCCC(=O)N(CC)CC	159806716	KGBOOYIYPQIEMA-UONOGXRCSA-N	282.428	2.720	70	20	CFID	
CCc1noc(C)c1CNc1ccc2oc(=O)n(C)c2c1	159432077	BOZFGKYJTGRMEE-UHFFFAOYSA-N	287.319	2.602	70	20	CFID	
Cc1nccc(NC(=O)N2CCO[C@H](C)[C@H]2C)c1Cl	159948338	ZPACCBPDHJDFHA-NXEZZACHSA-N	283.759	2.685	70	20	CFID	
CC(C)CC1(CNC(=O)[C@H](C(C)C)N(C)C)CC1	159374202	GUPTUPYCOGPWNO-ZDUSSCGKSA-N	254.418	2.515	70	20	CFID	
CCN(CCNC(=O)C1CCC(C)(C)CC1)C1CC1	159785052	ZJDZHKMMKQSCGM-UHFFFAOYSA-N	266.429	2.803	70	20	CFID	
CCSCC[C@H](C)NC(=O)c1ccccc1CCNC	160209531	YMPQLKWULIQVEZ-ZDUSSCGKSA-N	294.464	2.710	70	20	CFID	
Cc1cccc([C@H](C)NC[C@@H](O)COCC(C)C)c1	160251644	RCSTXPNXPMEGDC-GOEBONIOSA-N	265.397	2.679	70	20	CFID	
COc1cc(NCC(=O)Nc2ccccc2)ccc1F	160262686	XLOUACGXDDBMFR-UHFFFAOYSA-N	274.295	2.885	70	20	CFID	
Cc1nc(Cl)cc(N[C@@H](CO)CC(C)(C)C)n1	161404771	OVUFFDDTWQDSIG-SECBINFHSA-N	257.765	2.647	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1nc(C)cs1	161041899	KUHBHLMUDOQPJQ-KRWDZBQOSA-N	270.379	2.618	70	20	CFID	
CCN(C(=O)[C@@H](C)N)[C@H](C)c1cccc(C(F)(F)F)c1	161115725	GNTHBRXZKWXSPI-NXEZZACHSA-N	288.313	2.962	70	20	CFID	
Cc1ccc2cccc(C(=O)N[C@H]3CCC[C@@H](N)C3)c2n1	161409301	XSDRWSABHOGIKE-KGLIPLIRSA-N	283.375	2.543	70	20	CFID	
CCOC(=O)c1cccc(NC(=O)NC[C@@H](C)SC)c1	160037219	ILPOCRSFGXRBKC-SNVBAGLBSA-N	296.392	2.736	70	20	CFID	
O=C(N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCCO1	160429914	AQNFKLAXNGVHDS-CABCVRRESA-N	259.349	2.823	70	20	CFID	
Cc1c(/C=C/C(=O)N[C@@H]2CCc3cc(F)ccc32)cnn1C	160970435	UNEWAJSYHUNQPR-KZJSRBBCSA-N	299.349	2.685	70	20	CFID	
CCCCc1nnc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)s1	159609864	GRGPXOFXDKOINP-GXSJLCMTSA-N	295.408	2.825	70	20	CFID	
O=C(OCc1ccccc1Cl)[C@@H]1CCCCO1	159420871	FBHJDFXZEFSBIG-LBPRGKRZSA-N	254.713	2.952	70	20	CFID	
Cc1nsc(NC(=O)[C@H](C)c2c(F)cccc2F)n1	159555901	YVOARJXLHAZPHC-ZCFIWIBFSA-N	283.303	2.867	70	20	CFID	
CCC(CC)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159767798	FEJSBMAFTWKQQM-UHFFFAOYSA-N	290.285	2.785	70	20	CFID	
CCN(CCCO)C(=O)c1ccc2[nH]c(C)c(C)c2c1	160520844	WPYNBXGCOKRNAG-UHFFFAOYSA-N	274.364	2.629	70	20	CFID	
CC[C@H]1CCCC[C@@H]1OCCS(=O)(=O)Cl	112356564	SYLJYMSMNQKNDG-UWVGGRQHSA-N	254.779	2.540	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1Cc1cnc(C2CC2)s1	161279305	NUJVPGMJFZTMHM-ZDUSSCGKSA-N	294.420	2.938	70	20	CFID	
Cc1ccc(Br)c(F)c1S(=O)(=O)Cl	219121681	INIRASFBRPOSTQ-UHFFFAOYSA-N	287.537	2.824	70	20	CFID	
O=S(=O)(F)c1ccc(N2[C@H]3CC[C@H]2CC2(CC2)C3)nc1	1550632171	DRZAOYZKRKWPCT-QWRGUYRKSA-N	296.367	2.651	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@@H]1CCCc2ccccc21	161181016	NFGISXVXQPIZKT-HNNXBMFYSA-N	288.435	2.988	70	20	CFID	
C[C@H]1CCN(C(=O)NCc2cccc(N(C)C)c2)C[C@@H]1C	161380479	MNJXHPPAIOIAIK-KBPBESRZSA-N	289.423	2.940	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccccc1O	160044609	BJANQQILHMKZSB-LBPRGKRZSA-N	275.348	2.614	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1	160091223	IVDNANXYEUGCRB-XGWLTEMNSA-N	298.390	2.881	70	20	CFID	
CSC[C@@H](CCO)N[C@@H]1CCc2ccc(C)cc21	160326915	JUOHWARRDXAZJX-UKRRQHHQSA-N	265.422	2.686	70	20	CFID	
O=C(Nc1cc2c(cc1Cl)OCCO2)[C@@H]1CCCCO1	160345132	JISJWSSDKNMBLZ-NSHDSACASA-N	297.738	2.619	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	160465247	RRGDYULBRSQRFW-WDEREUQCSA-N	296.361	2.702	70	20	CFID	
CN(Cc1cccc(F)c1)Cc1cc(C(N)=O)cs1	160470885	JHYLXNZJHSSWMI-UHFFFAOYSA-N	278.352	2.618	70	20	CFID	
O=C(/C=C/c1ccco1)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	159905013	YIWMVBSVZRVRRN-BFKQZCGHSA-N	279.339	2.995	70	20	CFID	
CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1	159912112	FTCKFDNGDLWQGB-KBPBESRZSA-N	292.448	2.761	70	20	CFID	
CCCCn1ncc(C(=O)NCc2cccs2)c1C	159746682	YZRBGSZRNLSUDY-UHFFFAOYSA-N	277.393	2.983	70	20	CFID	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H]1CCOC1	159364729	CDXHEQUBVWMNOG-GXFFZTMASA-N	282.771	2.831	70	20	CFID	
Cc1nc(O)ccc1C(=O)NC1CCC(OC(C)C)CC1	159385223	JZRUKTJQGOAEOP-UHFFFAOYSA-N	292.379	2.562	70	20	CFID	
Cc1noc(C)c1CNCc1cccc2c1NCCC2	159436189	XOYAGSMFFGSBQE-UHFFFAOYSA-N	271.364	2.939	70	20	CFID	
Clc1ccc([C@H]2CN(CCn3ccnc3)CCO2)cc1	159767644	KAQPTOUCKJQDRI-OAHLLOKOSA-N	291.782	2.610	70	20	CFID	
Cc1csc(CNC(=O)[C@H]2CCC[C@@H](C)C2)n1	159780634	UNWAUGAFDSLLFF-KOLCDFICSA-N	252.383	2.894	70	20	CFID	
CCc1nc(C)c([C@H](C)NC2CCN(C)CC2)s1	161421012	PKKRFFVEZNGYPW-JTQLQIEISA-N	267.442	2.759	70	20	CFID	
CCCN(C)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160126705	DQAZNOQKUZRXIZ-CQSZACIVSA-N	278.352	2.728	70	20	CFID	
Cc1ccc(CSCCNC(=O)[C@@H]2CCCCO2)cc1	160150300	CPVDWEQUKSKUCG-HNNXBMFYSA-N	293.432	2.914	70	20	CFID	
Cc1cnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1	160223184	QONXQTKAWRRZHA-GOEBONIOSA-N	282.391	2.717	70	20	CFID	
Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCc2sccc21	160251821	JANWGXXKYNYRAG-GFCCVEGCSA-N	289.404	2.906	70	20	CFID	
Cn1cnnc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C	160836838	QFQHGWZYUSOMBA-AWEZNQCLSA-N	276.359	2.831	70	20	CFID	
CN(Cc1nncn1C)c1cccc2ccccc12	160837265	IVXODKXFWQCABG-UHFFFAOYSA-N	252.321	2.605	70	20	CFID	
CC1=C(C(=O)NCCCOc2ccccc2)CCCO1	160850454	JNIWLQOTEICTRI-UHFFFAOYSA-N	275.348	2.656	70	20	CFID	
CC[C@H](NCCSCC(=O)OC)c1ccc(F)cc1	160892898	ZUONFNNKTIOWSI-ZDUSSCGKSA-N	285.384	2.773	70	20	CFID	
Cc1cccc(C(=O)NCCN(C(C)C)C(C)C)c1F	159627135	IZMNNFOKFRTLSW-UHFFFAOYSA-N	280.387	2.983	70	20	CFID	
CCNC(=O)c1ccc(C)c(NC2CC(OCC)C2)c1	160199566	PZVIABYVJNMGPX-UHFFFAOYSA-N	276.380	2.724	70	20	CFID	
CC1CCC(OC[C@H](C)CS(=O)(=O)Cl)CC1	112159542	LTJYOCRVIUSIOE-YVNMAJEFSA-N	268.806	2.786	70	20	CFID	
CCOCCCN1CC[C@@H](c2ccc(OC)cc2)C1	160034704	HGJXRBNJRGINPP-OAHLLOKOSA-N	263.381	2.911	70	20	CFID	
O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)F)c1	769659359	GKLRLUZBTZLXOU-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1	217990501	IOXBKGULIBXQRB-HUUCEWRRSA-N	261.365	2.701	70	20	CFID	
C[C@@H](CCO)CNC(=O)CCCOc1ccccc1Cl	161036826	RPIPMPJYPNWRKP-LBPRGKRZSA-N	299.798	2.634	70	20	CFID	
CCC(CC)c1cc(CNC(=O)[C@H]2CCC[C@H](N)C2)on1	161109696	YGTRAYGMXZEGPU-STQMWFEESA-N	293.411	2.712	70	20	CFID	
CCNC(=O)C(C)(C)CNc1nc2ccccc2nc1C	161333795	CSBSJXQRFWSFIT-UHFFFAOYSA-N	286.379	2.512	70	20	CFID	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C[C@@H]1CCCN1	161424525	UNKFOMKYTPXUER-KBMXLJTQSA-N	272.392	2.533	70	20	CFID	
COc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc(OC)c1O	161411952	SJILLBNCOHVYKR-CMPLNLGQSA-N	293.363	2.718	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@@H]1c1cccs1	160014785	GBFMYPAALYNOQL-VXGBXAGGSA-N	265.378	2.981	70	20	CFID	
COC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2F)C1	160204795	MFXUEYYTNUPSDJ-UONOGXRCSA-N	293.382	2.889	70	20	CFID	
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)Cc1cccnc1	160483637	OIWMJURFOKAUKU-FMKPAKJESA-N	289.423	2.597	70	20	CFID	
CN(C(=O)C[C@H]1C=CCC1)c1ccc2c(c1)OCO2	160634604	JWRWSYVQZUUIMF-NSHDSACASA-N	259.305	2.734	70	20	CFID	
CCOC(=O)CCCNC(=O)[C@H](C)c1cccc(C)c1	159413667	PQMKFLZMGDOUDN-CYBMUJFWSA-N	277.364	2.558	70	20	CFID	
COc1ccc(CN(C)Cc2c(C)n[nH]c2C)cc1	159848174	PMZLHRMZDYBDBU-UHFFFAOYSA-N	259.353	2.667	70	20	CFID	
CC[C@H](C(=O)OCc1noc(C)n1)c1ccc(F)cc1	159911183	ATOHRDNILUUOMN-LBPRGKRZSA-N	278.283	2.754	70	20	CFID	
COC1(CNC(=O)Nc2ccnc(C)c2Cl)CCC1	159552486	MQZULUMWGAQXFH-UHFFFAOYSA-N	283.759	2.734	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)COCCOc1ccccc1	159767233	OJJNFEWVOHEHRM-HOCLYGCPSA-N	291.391	2.777	70	20	CFID	
Cc1ccc(C)c(CC(=O)NCC2(N)CCCCC2)c1	159697753	ZFWXWWQYFMTNNS-UHFFFAOYSA-N	274.408	2.624	70	20	CFID	
CN(Cc1ccccc1C(F)(F)F)[C@@H](CN)C1CC1	159723788	NNEFNIFSWFOZLR-ZDUSSCGKSA-N	272.314	2.875	70	20	CFID	
CC(C)c1cc(=O)n(CCOc2ccccc2F)cn1	160894457	KPGDFRDOAYJSMY-UHFFFAOYSA-N	276.311	2.585	70	20	CFID	
C[C@H](NCc1cccc2cc[nH]c12)c1nnc2n1CCC2	218097580	UJSXEJSXVMXQBM-NSHDSACASA-N	281.363	2.556	70	20	CFID	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c(C)[nH]1	809280866	LRIFINDAEIVQGX-UHFFFAOYSA-N	296.323	2.542	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1c[nH]nc1-c1cccs1	217392099	KRGDONNDUIJUFC-GFCCVEGCSA-N	292.452	2.958	70	20	CFID	
O=C(NC1CC=CC1)[C@H](c1ccccc1)N1CCCCC1=O	161046865	WDZJTHUBXCXDCE-KRWDZBQOSA-N	298.386	2.575	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)/C=C/c1cccnc1	161428186	TZJHLWQFZQGOSI-MDZDMXLPSA-N	296.370	2.770	70	20	CFID	
CSC[C@H](CCO)N[C@@H](Cc1ccccc1)C1CC1	160172010	RXIOINMBNDAGNL-HOTGVXAUSA-N	279.449	2.711	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)C1CCC1	160375372	UCDDVLNWLHOACZ-ZDUSSCGKSA-N	251.370	2.785	70	20	CFID	
COc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)c1	160381774	CXCCKSIFZOMERX-UHFFFAOYSA-N	298.302	2.634	70	20	CFID	
c1ccc2nc(N[C@@H]3CCO[C@@H](C4CC4)C3)cnc2c1	160414225	XBBBRKSDRVSFOJ-IUODEOHRSA-N	269.348	2.999	70	20	CFID	
COc1ccc(CCCC(=O)NCCCF)c(OC)c1	160459414	UOQQCNCWHYHSPX-UHFFFAOYSA-N	283.343	2.502	70	20	CFID	
C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C1CCC1	160568204	UAZODZWIXCCERR-NSHDSACASA-N	299.378	2.792	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](CC)c1ccccc1	160571957	OTNDKZVBNOMYJP-TZMCWYRMSA-N	277.364	2.638	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CSc1ccc(C)cc1	160615089	IADRFQHQCBQILF-LBPRGKRZSA-N	295.404	2.545	70	20	CFID	
CCOCCC1(C(=O)N[C@@H](C)c2cccnc2)CCC1	160669673	NIAJOLJVCWYWPQ-ZDUSSCGKSA-N	276.380	2.856	70	20	CFID	
CC(C)C[C@H]1CCN(C(=O)c2cccc3[nH]c(=O)oc23)C1	159434609	SCGPFUJHOMIOLJ-LLVKDONJSA-N	288.347	2.629	70	20	CFID	
COc1cc(NC(=O)C[C@@H](C)SC)ccc1NC(C)=O	159849593	MPDOFHCZPDXKEW-SECBINFHSA-N	296.392	2.734	70	20	CFID	
Fc1cccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159598631	RZNLICIQXPIXKV-KKUMJFAQSA-N	261.340	2.873	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H]1CCc2ccccc2C1	160077456	DJTHYVGSPGUDFN-WMLDXEAASA-N	260.425	2.864	70	20	CFID	
CCN(CC)C(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160292598	UWRHUCLPBUEQFE-SNVBAGLBSA-N	268.332	2.503	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1ccc2ncsc2c1	160320013	VOHZDURYQSPDRE-UHFFFAOYSA-N	290.388	2.579	70	20	CFID	
O=C(C[C@@H]1C=CCC1)Nc1ccc(S(=O)(=O)F)cc1	185103564	RVIXYMAHZSDHIL-SNVBAGLBSA-N	283.324	2.640	70	20	CFID	
Cc1ccc(C)c(OCCCS(=O)(=O)Cl)c1	100495534	AIXAMTFWQFVYCU-UHFFFAOYSA-N	262.758	2.641	70	20	CFID	
COc1ccc(-c2noc([C@@H]3CCC(=O)C[C@@H]3C)n2)cn1	161011654	LPUULOPFJXXWMA-JOYOIKCWSA-N	287.319	2.613	70	20	CFID	
Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)ccc1C(N)=O	161345615	TYNFZUHHCNRRGL-JQWIXIFHSA-N	289.379	2.604	70	20	CFID	
Cc1ccccc1[C@@H](C)NCCN1CCC(N(C)C)CC1	160244413	MTNUOTWZURICPZ-MRXNPFEDSA-N	289.467	2.672	70	20	CFID	
C[C@@H](NC[C@@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160403455	RFVJDYOXCIGTAY-CJNGLKHVSA-N	278.444	2.581	70	20	CFID	
C[C@@H](CO)CNC(=O)CCc1ccc2ccccc2c1	160470159	YEPLXRDDKKAHIM-CYBMUJFWSA-N	271.360	2.517	70	20	CFID	
CC(C)COCCN[C@@H](C)c1ccc([S@](C)=O)cc1	160704009	ARKIENYFKGLQCJ-ORAYPTAESA-N	283.437	2.747	70	20	CFID	
C[C@@H]1C[C@H]1c1ccc(CN(Cc2nncn2C)C2CC2)o1	160782393	RFWFDOZXFCMVDQ-BXUZGUMPSA-N	286.379	2.696	70	20	CFID	
C[C@H](NC(=O)CCN)c1cccc(Cl)c1Cl	160985738	ABVDQSIXQRGBRO-ZETCQYMHSA-N	261.152	2.519	70	20	CFID	
CC(C)[C@H]1CN(c2ccc(S(C)(=O)=O)cc2)CCS1	159413864	XCKBVKJUGZTLSW-CQSZACIVSA-N	299.461	2.668	70	20	CFID	
C[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1cccnc1	159473381	SFZHJRWSYNKSTM-HIFRSBDPSA-N	288.391	2.793	70	20	CFID	
CC(C)CSCCCN(C)C[C@@H]1CCC[C@@H]1O	159671486	DXYFYSUJUQBAQJ-KBPBESRZSA-N	259.459	2.859	70	20	CFID	
O=C(/C=C/c1ccco1)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21	159904907	YIWMVBSVZRVRRN-QDIARDEESA-N	279.339	2.995	70	20	CFID	
C[C@]1(C(=O)N2CC3(CCCC3)c3ccccc32)CCNC1	159367859	JABZDEUHCKNFFW-KRWDZBQOSA-N	284.403	2.845	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc([C@H](CC)NC)n1	159958867	RTGPBSBEWGGSOB-STQMWFEESA-N	275.352	2.866	70	20	CFID	
CCCn1nccc1CNc1ccc2cn[nH]c2c1	160077740	OENKABUAOAXJJW-UHFFFAOYSA-N	255.325	2.782	70	20	CFID	
CCN(C)C(=O)N1CCN(c2cccc(Cl)c2)CC1	160308700	VVAVQTNFHUDVKM-UHFFFAOYSA-N	281.787	2.534	70	20	CFID	
CCC(CC)(CN)C(=O)N1CCS[C@H]2CCCC[C@H]21	161247681	UZVHXIYIULGJKU-OLZOCXBDSA-N	284.469	2.638	70	20	CFID	
CC(C)CNC(=S)NCCCCC(F)(F)F	159578684	ZCTUYEAKWNEKGB-UHFFFAOYSA-N	256.337	2.839	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	763176047	HVXINGBGNOXQLL-OUJBWJOFSA-N	297.351	2.720	70	20	CFID	
CC(C)CNC(=O)NCCc1cccc(Br)c1	217269566	MHKNCMGLNLQWIZ-UHFFFAOYSA-N	299.212	2.947	70	20	CFID	
CCc1ncc(NC(=O)N(CC)C[C@H](C)CC)cn1	161139602	FQYQQMSQCRPMTP-LLVKDONJSA-N	264.373	2.939	70	20	CFID	
CCc1ccc(CC(=O)N(C)C[C@H]2CCCCO2)cc1	161421592	SLMQOJMFCPKXOC-MRXNPFEDSA-N	275.392	2.819	70	20	CFID	
CCN(C)C(=O)c1cccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1	161496658	BBDOZWDYWNCTTJ-STQMWFEESA-N	288.391	2.792	70	20	CFID	
Cc1cccc(C)c1CSCCN1CCOCC1	160067964	AQSMLTUHNCERFM-UHFFFAOYSA-N	265.422	2.869	70	20	CFID	
CC(C)CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	160072306	NUHCYOMADCTTEJ-UHFFFAOYSA-N	291.395	2.617	70	20	CFID	
Cc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1C	160137972	JKTYOADMSXTJFG-UHFFFAOYSA-N	279.405	2.772	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1ccccn1	160243143	YVRIDBJPVQBJAD-UHFFFAOYSA-N	281.359	2.894	70	20	CFID	
COC[C@H](NC(=O)NC1CCC(C)(C)CC1)C1CC1	160336193	OBOMGIHJFPRVKK-ZDUSSCGKSA-N	268.401	2.679	70	20	CFID	
C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC(C)(C)O1	160485551	WPJBNIIQIWGFIN-SNVBAGLBSA-N	275.339	2.838	70	20	CFID	
COCCCCNC(=O)c1cc(F)cc2cccnc12	160622888	ORGKLYYOWWIOJJ-UHFFFAOYSA-N	276.311	2.530	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](CC)OC1CCCCC1	160885150	SMCPQFSZZFANNV-TZMCWYRMSA-N	299.411	2.572	70	20	CFID	
Cc1nc(C)c(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1	159474962	MUELZHQHAIWSOM-UBHSHLNASA-N	278.421	2.807	70	20	CFID	
CCNC(=O)CNCc1cc(C(F)(F)F)ccc1Cl	159892557	GCCAWEGXCXTGRY-UHFFFAOYSA-N	294.704	2.585	70	20	CFID	
CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159721825	MFVHNVDHLDAEBG-ILXRZTDVSA-N	260.381	2.566	70	20	CFID	
O=C(CSC(F)(F)F)N[C@H]1CCOC2(CCCC2)C1	159978820	QYSAVCJIXIITAO-VIFPVBQESA-N	297.342	2.847	70	20	CFID	
C[C@H]1CN(C(=O)[C@@H]2CCCO2)c2cc(Cl)ccc2O1	159598450	SJLYYCICJBBRFA-ZANVPECISA-N	281.739	2.633	70	20	CFID	
CCOC1CC(Nc2ccc(OCCN(C)C)cc2)C1	160156210	JTQHRGUGKRFWJH-UHFFFAOYSA-N	278.396	2.606	70	20	CFID	
CCN(CCCO)C(=O)c1ccc(C(C)(C)C)cc1	160453598	NCJDBCZQAOMAIL-UHFFFAOYSA-N	263.381	2.829	70	20	CFID	
O=C(NCc1ccc(Cl)cc1)N1CCCC[C@@H]1CCO	217315354	OXTYHOUJZSYHQJ-CQSZACIVSA-N	296.798	2.787	70	20	CFID	
CC[C@H](COC)NC[C@@H](C)COCc1ccccc1	161310527	OBMARFSISPPUMQ-GDBMZVCRSA-N	265.397	2.854	70	20	CFID	
C[C@@H](NC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1	161120038	MZRQLHQBOZPTGQ-OCCSQVGLSA-N	278.396	2.844	70	20	CFID	
CCN1CCCC[C@@H]1CN[C@@H]1CC(C)(C)OC1(C)C	161204374	FRXPJMSPHNVXBO-ZIAGYGMSSA-N	268.445	2.797	70	20	CFID	
Fc1cccc(OCCSc2ncnc3[nH]cnc23)c1	161343517	GLVUYVRDOVDSAD-UHFFFAOYSA-N	290.323	2.663	70	20	CFID	
CC[C@H](SCC(=O)N1CCOCC1)c1ccc(F)cc1	161347336	JIIVRPLYLBLKJV-AWEZNQCLSA-N	297.395	2.869	70	20	CFID	
CCS[C@H](C(=O)Nc1ccc(OC)c(N)c1)C(C)C	161394271	ZONIIMCQONQKEA-ZDUSSCGKSA-N	282.409	2.994	70	20	CFID	
CCCOc1ccccc1NC(=O)c1cc(C)ncn1	161404041	WSJAJFOMDUHDEA-UHFFFAOYSA-N	271.320	2.826	70	20	CFID	
Cc1nc(C)c(C(=O)NCC2(C3CC3)CC2)s1	160068783	KWHRHDHHNDRXQR-UHFFFAOYSA-N	250.367	2.680	70	20	CFID	
CN(Cc1noc(C2CCCCC2)n1)C[C@H]1CCCOC1	160096089	FCBDLLIUVIBCPN-CYBMUJFWSA-N	293.411	2.976	70	20	CFID	
C[C@@H](C(=O)NCc1cccc(O)c1)c1cccs1	160226969	YNUNRICTKGZRJO-SNVBAGLBSA-N	261.346	2.874	70	20	CFID	
CC(C)CONC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160471650	XCPQSYFOISFHGO-AWEZNQCLSA-N	294.351	2.563	70	20	CFID	
CC[C@@H](C)CN(CC)C(=O)c1cccc2[nH]c(=O)oc12	160598137	AOUHYMYMSHZGGJ-SNVBAGLBSA-N	276.336	2.629	70	20	CFID	
COCCC1(C(=O)NCCCSCC(C)C)CC1	160792156	DEKRAPSVBRYXES-UHFFFAOYSA-N	273.442	2.699	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c(O)c1	159811671	ZCYZUJCIPFHMPW-CYBMUJFWSA-N	289.375	2.922	70	20	CFID	
CC1CCC(N(C)C(=O)c2cnc3c(c2)ncn3C)CC1	159648578	LMKFAAIXJBTPTK-UHFFFAOYSA-N	286.379	2.619	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc(-n2ccnc2C)nc1	159681448	XQXGEVHCQGJEFT-JTQLQIEISA-N	290.392	2.656	70	20	CFID	
CC[C@H](C)[C@H](NCc1cncs1)C(=O)OC(C)(C)C	159547862	BGVAATMPAGLOED-JQWIXIFHSA-N	284.425	2.989	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1ncn(-c2ccccc2)n1	159749439	DJKCEOZDFFKCPG-GXTWGEPZSA-N	284.363	2.576	70	20	CFID	
C[C@H](C[C@H]1CCCCCN1)NCC1(N(C)C)CCCC1	160688292	VNGHBVVHLOBLPP-HZPDHXFCSA-N	281.488	2.761	70	20	CFID	
CCC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460093589	PNILZNHPLRYODI-SECBINFHSA-N	273.329	2.720	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864242505	HYLBZIQYYSBRQW-SNVBAGLBSA-N	287.356	2.509	70	20	CFID	
C[C@@H](CNCc1cccc2c1NCCC2)N(C)C1CC1	217557893	HLQAYRNTKWTYBB-ZDUSSCGKSA-N	273.424	2.617	70	20	CFID	
O=C(CCc1ccccc1Cl)N[C@H]1CCC[C@H]1CO	217883786	GEHJXCRLZOVXEO-JSGCOSHPSA-N	281.783	2.550	70	20	CFID	
Cc1cc(C)cc(OCCN[C@@H](C)c2cnccn2)c1	161246720	NWMMVKNCPMINFN-AWEZNQCLSA-N	271.364	2.823	70	20	CFID	
CCS[C@H](C)c1noc(CSCCOC)n1	161263109	ISRKPPRLVKXFSX-MRVPVSSYSA-N	262.400	2.763	70	20	CFID	
CC(C)(C)CCNC(=O)Cn1nc(C2CC2)nc1C1CC1	161465857	UUPUWZNGOHILOQ-UHFFFAOYSA-N	290.411	2.585	70	20	CFID	
Cc1nc(O)ccc1C(=O)N1CCCc2ccccc2C1	161477904	DBDDZFPDGVVBKC-UHFFFAOYSA-N	282.343	2.684	70	20	CFID	
Cc1cc2ccccc2nc1N1CCC(n2ccnn2)CC1	160196848	NCJDINKGJIUBBY-UHFFFAOYSA-N	293.374	2.976	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C)n(C(C)C)c1C	160240840	PNQQWZRONHBXFC-NSHDSACASA-N	294.395	2.757	70	20	CFID	
CCCC[C@H](COC)NC(=O)NCc1ccc(O)c(F)c1	160410326	SEBHNCCZLXWVPF-GFCCVEGCSA-N	298.358	2.536	70	20	CFID	
CC(C)c1nn(C)c(Cl)c1C(=O)NCc1nccs1	160740588	CZHRFXPBBQBENM-UHFFFAOYSA-N	298.799	2.583	70	20	CFID	
CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H](C)CCCC(C)C	160856731	DMDHMMZWOLMUQX-YNEHKIRRSA-N	290.473	2.613	70	20	CFID	
c1cn2c(CN[C@@H]3CCCc4sccc43)cnc2cn1	160952269	ZTJYXVBCXJDMGH-CYBMUJFWSA-N	284.388	2.958	70	20	CFID	
O=C(NC1CC=CC1)c1cnc(-c2ccccc2)nc1	160988438	IPEGTCOGAVMSNE-UHFFFAOYSA-N	265.316	2.592	70	20	CFID	
CCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1	159802093	WIMMXEFVHFIKIJ-LBPRGKRZSA-N	266.772	2.573	70	20	CFID	
C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@](C)(O)C1	159667675	BEHJKANPFNRWKS-PBHICJAKSA-N	290.407	2.564	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1Cc2cc(F)ccc2O1	159709508	RGBROLLXQOZOAX-YVLXSGLVSA-N	277.339	2.824	70	20	CFID	
COCC[C@@H](C)NC(=O)c1cnc(-c2ccccc2)nc1C	159721325	RRONVKBNVZDMLF-GFCCVEGCSA-N	299.374	2.607	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)N(C)C	159534632	JXWUQVZIRMOCHX-RYUDHWBXSA-N	280.437	2.616	70	20	CFID	
O=C(Cc1ccccc1O)N1CC=C(C(F)(F)F)CC1	160601216	QJBKXYPHUBYYMN-UHFFFAOYSA-N	285.265	2.656	70	20	CFID	
Cc1cccc(N)c1C(=O)OC[C@@H]1CCC(C)(C)O1	160781416	QYXGPUGUYPDXRE-NSHDSACASA-N	263.337	2.692	70	20	CFID	
Clc1ccccc1[C@H]1CN(CCn2ccnc2)CCO1	159809097	TYBSKIAVQJUGPM-OAHLLOKOSA-N	291.782	2.610	70	20	CFID	
O=S(=O)(Cl)CCCCOc1cccc(F)c1	112154994	XFKASDJUMYDSFZ-UHFFFAOYSA-N	266.721	2.553	70	20	CFID	
CC(C)CSCCCN(C)C[C@H]1CCC[C@@H]1O	159671640	DXYFYSUJUQBAQJ-KGLIPLIRSA-N	259.459	2.859	70	20	CFID	
O=C(CCCC1CC1)Nc1cccc(S(=O)(=O)F)c1	813172511	IZONLVWMFVIVNY-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
Cc1ccc2c(c1)SCCCN2CCS(=O)(=O)F	883954756	YLLLJQFJFNGFFP-UHFFFAOYSA-N	289.397	2.597	70	20	CFID	
CCN(CCN[C@H]1CCCc2ccc(O)cc21)C1CC1	217439227	RSZKVIKRDZPXDK-KRWDZBQOSA-N	274.408	2.844	70	20	CFID	
CC[C@H](N[C@H](CCO)c1ccccc1)[C@H]1CCOC1	161067920	VIOZBXJLDJHQIX-HRCADAONSA-N	263.381	2.515	70	20	CFID	
COC[C@@H](NCC1(c2ccc(F)cc2)CC1)C1CC1	161383145	JZWQAASGSSOAFU-OAHLLOKOSA-N	263.356	2.872	70	20	CFID	
CCNC(=O)Nc1cccc(NC(=O)C[C@@H](C)SC)c1	161392091	JWLABHNEGWKVHS-SNVBAGLBSA-N	295.408	2.908	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	160216439	GWMMWEWXIQRCGU-KJRLAJNESA-N	288.347	2.781	70	20	CFID	
CC(C)[C@@H]1CCCC[C@H]1NCc1cc(=O)n2ccccc2n1	160356500	IMRPBCLVHXSQDE-JKSUJKDBSA-N	299.418	2.999	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@@H](c1ccccc1)C1CC1	160714949	JSJYOUZPXBNTLB-CVEARBPZSA-N	275.392	2.703	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@@H](Nc2ccccc2)C1	160866059	QMKCABOTECHINB-HZPDHXFCSA-N	288.391	2.659	70	20	CFID	
CC[C@H]1CCCCN1C(=O)N[C@H]1CCN(C2CCCC2)C1	160886887	XRQIJSDXZCEYMI-GJZGRUSLSA-N	293.455	2.977	70	20	CFID	
CCCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2CC)C1	159559061	ZVUHLOMCONTEFP-KKUMJFAQSA-N	294.439	2.720	70	20	CFID	
C[C@]1(NC(=O)Nc2ccc(F)cc2Cl)CCOC1	159374704	OTSHOWYWXZRRAA-LBPRGKRZSA-N	272.707	2.780	70	20	CFID	
C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)C1CCC1	159778640	VAZMRLYAEMTQLU-YFKPBYRVSA-N	294.302	2.867	70	20	CFID	
Cc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c(F)c1	159976456	RJIQOAXKGVQPPE-PHIMTYICSA-N	266.316	2.559	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H](C)OCC1CC1	159980110	HVSFOXFOAPATAO-IAQYHMDHSA-N	289.375	2.614	70	20	CFID	
CCSCC[C@H](C)NC(=O)N(C)CC1CCOCC1	159592770	NOPMIDOCMVEOBN-LBPRGKRZSA-N	288.457	2.586	70	20	CFID	
CCOCCCN1CCCN(c2ccccc2)CC1	159459120	RQOUBRHZYULNMK-UHFFFAOYSA-N	262.397	2.625	70	20	CFID	
CCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F	159504945	JIZXNCVGTNDZRO-NXEZZACHSA-N	270.323	2.530	70	20	CFID	
FC(F)(F)c1nnc(N[C@@H]2CCNC3(CCC3)C2)s1	160357434	DYTBIGMJUKVXPM-SSDOTTSWSA-N	292.330	2.644	70	20	CFID	
COc1ccc(NC(=O)CCCCSC)cc1N	161077103	OLAMISYQDUYCJO-UHFFFAOYSA-N	268.382	2.749	70	20	CFID	
COc1ccccc1CCNC(=O)c1ccncc1Cl	217704684	QWWFFKSUURHSDK-UHFFFAOYSA-N	290.750	2.716	70	20	CFID	
CCCN(CC)CCNC(=O)c1ccc(Cl)nc1C	159912921	QBAJMXDAKVCDAY-UHFFFAOYSA-N	283.803	2.505	70	20	CFID	
C[C@H](CN[C@@H]1CCN(C)[C@H](C)C1)COCc1ccccc1	161295516	XNTQTEOTEOZBPC-JFIYKMOQSA-N	290.451	2.912	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NC[C@@H](C)CN2CCCC2)C1	161074673	AVMVUJAQPFNJDG-RRFJBIMHSA-N	266.429	2.661	70	20	CFID	
COc1cccc(OC)c1OCc1nccs1	161120208	XATUBWKLXVKZRA-UHFFFAOYSA-N	251.307	2.739	70	20	CFID	
CCc1ncc(NC(=O)N(Cc2cccnc2)C(C)C)cn1	161180990	YILAXLMHVFACPK-UHFFFAOYSA-N	299.378	2.877	70	20	CFID	
CCc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C)n1	160383749	IHDHITZAVSNTGC-KBPBESRZSA-N	261.369	2.717	70	20	CFID	
CC[C@@H](C)N[C@H](CN1CCCC1=O)c1ccccc1	160738989	RRHQBVMUSFUEMP-UKRRQHHQSA-N	260.381	2.738	70	20	CFID	
Cc1ccc(C)c(N(CCN2C(=O)CCC2=O)C(C)C)c1	160746864	KCSUEYHQDJNGAQ-UHFFFAOYSA-N	288.391	2.667	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CCOCC1	160934338	BWFVAQUTJGHMRE-GXTWGEPZSA-N	253.386	2.840	70	20	CFID	
C[C@@H](CNC(=O)N[C@@H]1CCOC(C)(C)C1)c1nccs1	159631453	YUYZGDQEZQEUBG-WDEREUQCSA-N	297.424	2.503	70	20	CFID	
CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1CCCCO1	159837470	QNSZROOQPJSRGQ-CYBMUJFWSA-N	299.317	2.816	70	20	CFID	
CSCCN(C)C(=O)Nc1ccn(CCC(C)C)n1	159926355	LGVWJHFURDHILV-UHFFFAOYSA-N	284.429	2.756	70	20	CFID	
Cc1ccnc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1	159740972	LXPUFGKEIBTPHW-UHFFFAOYSA-N	295.342	2.535	70	20	CFID	
Cc1cnc(CNc2nc(C(C)(C)C)ns2)o1	159774812	VGUQTAFTGCHWSA-UHFFFAOYSA-N	252.343	2.744	70	20	CFID	
CCCC1(CNC(=O)N2CCCN(CC)CC2)CCC1	159980633	WUVGJCKRXQMIEX-UHFFFAOYSA-N	281.444	2.694	70	20	CFID	
CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1	159921189	UHCQJQMBGZFFQX-BFHYXJOUSA-N	262.397	2.949	70	20	CFID	
CO[C@]1(CNCC[C@@H](C)c2ccccc2)CCOC1	160079759	DXNOXQKWOSYIBC-ZBFHGGJFSA-N	263.381	2.575	70	20	CFID	
CCN(CCCO)C(=O)c1nc(-c2ccco2)sc1C	160512813	OERNOTDLNCFQAE-UHFFFAOYSA-N	294.376	2.556	70	20	CFID	
CC(C)(C)NC(=O)CCNCc1cc(F)cc(Cl)c1	160982069	YHPAJDYIXSQVSR-UHFFFAOYSA-N	286.778	2.874	70	20	CFID	
C[C@H](CN[C@H](C)[C@@H]1CCOC1)COCc1ccccc1	161297255	ZRWNNBXTZCHYAY-BFYDXBDKSA-N	277.408	2.854	70	20	CFID	
CC(C)(C)[C@H](COC1CCC1)CS(=O)(=O)Cl	114478394	FZHYHDXFRSANHL-SECBINFHSA-N	268.806	2.786	70	20	CFID	
COCCNC(=O)NCc1c(C)c(C)c(C)c(C)c1C	161137095	ZRQDOHGBXATZGC-UHFFFAOYSA-N	278.396	2.674	70	20	CFID	
COCCN(C)CCCc1cc(-c2ccccc2)n[nH]1	161232757	BVEJSKLWJKSOSL-UHFFFAOYSA-N	273.380	2.588	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2cnc(C3CC3)nc2)C[C@H]1C	161243928	WYBPMEXRLDFPEU-WDEREUQCSA-N	274.368	2.864	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccnc1Cl	161424934	CIMOZJCUEKBEJS-NSHDSACASA-N	294.782	2.957	70	20	CFID	
COCC1CCN(Cc2c(C)nc3ccccn23)CC1	160374729	XMCIGINFZAXKHQ-UHFFFAOYSA-N	273.380	2.501	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)CC2	160456500	CIIWJYHUSVXHPK-XPTSAGLGSA-N	292.333	2.530	70	20	CFID	
CC1(C)C[C@@H](NCc2cc3ccccc3nc2O)CCO1	160635705	SFBOENDZTRWYNY-AWEZNQCLSA-N	286.375	2.988	70	20	CFID	
Cc1cc(CNC(=O)c2ccnn2C(C)C)ccc1F	160661961	PIGRYIOSSAJSCB-UHFFFAOYSA-N	275.327	2.842	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1F	160800955	PXWSIBZHIZNMOX-ZUZCIYMTSA-N	279.311	2.987	70	20	CFID	
O=C(N[C@H]1CC12CCCCC2)c1cnc(C(F)(F)F)nc1	159805897	RVPYVHZULWUHSG-JTQLQIEISA-N	299.296	2.948	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1	159617862	MFWCRVCWAPRLAI-SMDDNHRTSA-N	290.363	2.712	70	20	CFID	
CC(C)CCN(C(=O)N[C@@H]1CCOC1)C1CCCC1	159454986	HMAMIUCEEAIAMA-CYBMUJFWSA-N	268.401	2.776	70	20	CFID	
CCc1cccc(NC(=O)NCCCNC(=O)C(C)C)c1	159461027	ZLCUTPPVZVGLLT-UHFFFAOYSA-N	291.395	2.533	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2	159745013	WYLAYFJFGISVQZ-FZMZJTMJSA-N	288.391	2.562	70	20	CFID	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)C[C@@H](C)O	159558906	QPRYSSYHEOPGMT-ZIAGYGMSSA-N	292.423	2.758	70	20	CFID	
C[C@@H](N[C@@H](CC(N)=O)C1CCCCC1)c1ccccn1	159751753	KZDKMIQYLKWEBO-DOMZBBRYSA-N	275.396	2.557	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cccc(OC)c1	159728263	ZFZKFXGJFSOPGJ-UHFFFAOYSA-N	280.368	2.615	70	20	CFID	
CO[C@@]1(CNC[C@H]2CCCc3ccccc32)CCOC1	160361455	AZLVKCWGTJVWQJ-NVXWUHKLSA-N	275.392	2.502	70	20	CFID	
C[C@H]1CCCCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1	1338818879	WGAMXRIGNSKTSN-NSHDSACASA-N	299.367	2.607	70	20	CFID	
CCOCCC1(CNC(=O)[C@H](C)CSC)CCC1	161077298	AJJGJRMLVHMEDY-GFCCVEGCSA-N	273.442	2.699	70	20	CFID	
CCOc1ccccc1NC1CCC(NC(C)=O)CC1	161102079	HESPPRKTHBENJQ-UHFFFAOYSA-N	276.380	2.945	70	20	CFID	
Cc1ccc(NC(=O)c2cc(C)ncn2)c(Cl)c1	161165446	LBJABFFJELIGMG-UHFFFAOYSA-N	261.712	2.999	70	20	CFID	
CCN(CC(C)C)C(=O)C(C)(C)NC(=O)OC(C)(C)C	160046530	XGGYUHVROIAVIN-UHFFFAOYSA-N	286.416	2.794	70	20	CFID	
CC(C)Oc1ccc(CN[C@@H](C)c2cnccn2)cn1	160066026	SUDUFJLHUFFZHQ-LBPRGKRZSA-N	272.352	2.510	70	20	CFID	
CC(C)CC[C@H](NC(=O)[C@H]1CCCNC1)C(C)(C)C	160072671	QPLYHBOLTODAFA-KBPBESRZSA-N	268.445	2.953	70	20	CFID	
C[C@H](Sc1ccccc1Cl)C(=O)N(C)[C@H](C)CO	160581116	GHKDUCALACJBOW-ZJUUUORDSA-N	287.812	2.660	70	20	CFID	
CC(C)C(=O)NCCc1csc(C(C)(C)C)n1	160602365	OAHREYWLLUFTOT-UHFFFAOYSA-N	254.399	2.755	70	20	CFID	
C[C@]1(NC(=O)Nc2ccccc2OC(F)F)CCOC1	159494219	DPLZMTKLNLBPSG-ZDUSSCGKSA-N	286.278	2.589	70	20	CFID	
COCC[C@H](C)NC1CCN([C@@H](C)c2ccncc2)CC1	159902837	OSJISHVFXFYKFC-GJZGRUSLSA-N	291.439	2.622	70	20	CFID	
C[C@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	159917552	WDKXONIGLIZTKJ-ZDUSSCGKSA-N	266.429	2.755	70	20	CFID	
CCc1noc(C)c1CNc1cccc(C(=O)OC)c1	159369427	MZNRWLSLABKLSJ-UHFFFAOYSA-N	274.320	2.944	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)NC(=O)c1cccs1	159778269	LZIXWRQCYBZXLW-GRYCIOLGSA-N	294.420	2.561	70	20	CFID	
C=CCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)F)c1	1340623676	BDCVHPSEAPNWRS-UHFFFAOYSA-N	299.367	2.677	70	20	CFID	
CCN1CCC[C@H]1CNCc1cccc2cc[nH]c12	218072319	QTTZUYFASSOTNU-HNNXBMFYSA-N	257.381	2.742	70	20	CFID	
CCc1ncc(NC(=O)NC[C@@H]2CCc3ccccc32)cn1	161160559	JJRGSWTXCDGFQQ-ZDUSSCGKSA-N	296.374	2.891	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1ccncc1	161490793	HREHFWNSGJIFRG-JTQLQIEISA-N	293.754	2.794	70	20	CFID	
Cc1nc(O)ccc1C(=O)N1CCC[C@H]1C1CCCC1	160260791	YIGYBNSPPXSYRM-AWEZNQCLSA-N	274.364	2.890	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N[C@@H](CC(=O)OC)c1ccccc1	160427547	NFSPCFZKLNCXLM-GRDNDAEWSA-N	289.375	2.843	70	20	CFID	
COc1ccc([C@H](C)NCC(C)(C)O)cc1Cl	160606277	WLRDYXJDOFYCQK-VIFPVBQESA-N	257.761	2.770	70	20	CFID	
CC[C@@H](NC(=O)CC1CCNCC1)c1cc(F)ccc1F	160658000	DETHQADTUSCXJR-OAHLLOKOSA-N	296.361	2.922	70	20	CFID	
Cc1nc(Cc2noc(-c3cc(C)c(F)c(C)c3)n2)no1	160810756	DZYYDDFBSNFOBZ-UHFFFAOYSA-N	288.282	2.775	70	20	CFID	
O=C(NC1CC=CC1)c1cccc(NC(=O)c2ccco2)c1	160850940	UUDJVIYZWWIPMJ-UHFFFAOYSA-N	296.326	2.980	70	20	CFID	
Cc1ncccc1NC(=O)C[C@@H](C)c1ccncc1	160957257	GLOAJKWCKMDCFV-LLVKDONJSA-N	255.321	2.917	70	20	CFID	
CCS[C@@H](C(=O)N(C)Cc1cccn1C)C(C)C	160994455	TWDLGIRFZZTXKO-CYBMUJFWSA-N	268.426	2.761	70	20	CFID	
O=C(c1ccccc1CCc1ccccc1)N1CCNCC1	159410189	DTROOHNDTKHMMQ-UHFFFAOYSA-N	294.398	2.517	70	20	CFID	
CCOc1ccccc1N(C)Cc1cccc(C(N)=O)c1	159415702	STSFLFDIOIGCFZ-UHFFFAOYSA-N	284.359	2.821	70	20	CFID	
CCOc1ccccc1N(C)C[C@@H](O)COCC(C)C	159431163	SYONURCMGFKSDV-CQSZACIVSA-N	281.396	2.555	70	20	CFID	
CNC[C@@H](C)C(=O)Nc1cc(C2CCCCCC2)[nH]n1	159479008	IRNWNWRYIRCKRQ-LLVKDONJSA-N	278.400	2.642	70	20	CFID	
CCC(CC)(CNCCOc1ccccc1F)C(=O)OC	159683534	XLJJCYNICIZIMH-UHFFFAOYSA-N	297.370	2.774	70	20	CFID	
CN(Cc1cccc(OC(F)F)c1)C[C@@H]1CCC[C@@H]1O	159715211	MNCLHRDRWPNHBC-JSGCOSHPSA-N	285.334	2.881	70	20	CFID	
C[C@H](O)CN(C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1	159373905	FZVMQUOEPXLERB-UWVGGRQHSA-N	295.770	2.764	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)c1cccs1	159777861	LZIXWRQCYBZXLW-UTUOFQBUSA-N	294.420	2.561	70	20	CFID	
CC(C)S(=O)(=O)CCCOc1ccc2[nH]ccc2c1	160050745	VDDJLUVIHIWZBT-UHFFFAOYSA-N	281.377	2.760	70	20	CFID	
CC[C@H](NCCCN1CCCC[C@@H]1C)[C@H]1CCOC1	160277037	JEMASTHOJNSVFI-JYJNAYRXSA-N	268.445	2.656	70	20	CFID	
Cc1ccc(CC(=O)NCC2(CO)CCCC2)cc1C	160287384	CJSSXFDHZNSMBF-UHFFFAOYSA-N	275.392	2.515	70	20	CFID	
CCc1cc(O)nc(CN(CC)C2CCCCC2)n1	160764626	ZMOSMYPQZTYBSE-UHFFFAOYSA-N	263.385	2.899	70	20	CFID	
C[C@@H](O)CN(CCCN1CCCCC1)C1CCCCC1	160928076	OUMIKXSFZPNESJ-MRXNPFEDSA-N	282.472	2.878	70	20	CFID	
CC(C)(CCCc1ccccc1)CNC(=O)C(C)(C)N	160121853	MVYVOPNNJLIOQP-UHFFFAOYSA-N	276.424	2.889	70	20	CFID	
CCn1ccnc1CN1CCC[C@@H]1c1cccc(C)n1	159722733	KVZWPZVGPIRYBA-OAHLLOKOSA-N	270.380	2.944	70	20	CFID	
C[C@@H](NCc1cccc2cc[nH]c12)C(=O)NC(C)(C)C	218157411	FLTLOLIMMWSREN-LLVKDONJSA-N	273.380	2.561	70	20	CFID	
CC(C)(C)c1noc(CCCC(=O)NC2CC=CC2)n1	161072560	NOPXWEQXLZIPMP-UHFFFAOYSA-N	277.368	2.525	70	20	CFID	
CCCn1c(C)nnc1COc1ccc2ccc(=O)oc2c1	161206646	RSIMXXPSEINMFC-UHFFFAOYSA-N	299.330	2.682	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)c1ccc(N2CCCC2=O)cc1	161420666	XVIVXDGQQFEWNP-STQMWFEESA-N	286.375	2.826	70	20	CFID	
CCC(CC)n1ncc(C(=O)Nc2cc[nH]n2)c1C	161497734	DYAMAOMGBIWVJK-UHFFFAOYSA-N	261.329	2.528	70	20	CFID	
CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)C2CC2)C[C@@H]1C	161509805	YIBFKLQWWFSYLO-AUZPSNTRSA-N	253.386	2.742	70	20	CFID	
CC[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO1	160159715	MADCSEAUAATXLJ-HIFRSBDPSA-N	259.349	2.923	70	20	CFID	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCCO1	160323638	OHBOPWTVHAZMSN-FZMZJTMJSA-N	265.328	2.914	70	20	CFID	
CCCN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CC1	160403622	QIIMBARMQIXGTR-OCCSQVGLSA-N	266.385	2.528	70	20	CFID	
COC[C@@H](NCC(C)(C)O)c1cccc(C(F)(F)F)c1	160628230	NKCFYZZTKQRJRR-GFCCVEGCSA-N	291.313	2.753	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1cccnc1	160820008	HWRORSJJCFITRV-VIFPVBQESA-N	274.324	2.612	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)Cn2cccn2)C1	159617335	YPLLRSYHUZHMMJ-GFCCVEGCSA-N	287.388	2.658	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(C)C)n(C)n1	159831900	DDVJOMGOIMDYFO-NEPJUHHUSA-N	263.385	2.852	70	20	CFID	
CCC[C@H](C(=O)Nc1cn(C)c(=O)cc1C)C(C)C	159960427	ZABDULLJICEDIS-LBPRGKRZSA-N	264.369	2.705	70	20	CFID	
O=C(c1cc2c(s1)CCCC2)N1C[C@@H]2CCC[C@H](C1)N2	160558608	YFYCNQIQHSVUBB-BETUJISGSA-N	290.432	2.593	70	20	CFID	
C=CCCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	187236093	CHROVOXGLSTYFC-UHFFFAOYSA-N	271.313	2.640	70	20	CFID	
C[C@H](CCc1ccc(O)cc1)N[C@H]1CCN2CCCC[C@@H]12	217688352	FAIXWBQUCRDEGP-JLSDUUJJSA-N	288.435	2.930	70	20	CFID	
C=CCCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318876	KSHOBKVVMKNVKQ-UHFFFAOYSA-N	289.303	2.530	70	20	CFID	
C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1cscn1	218240260	LMHKCCIRZHQVJP-JTQLQIEISA-N	285.413	2.661	70	20	CFID	
CC[C@H](COCc1ccccc1)CS(=O)(=O)Cl	114472585	CKGWIEJJIRPSFP-LLVKDONJSA-N	276.785	2.798	70	20	CFID	
CCc1ccc(C(C)(C)C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	161002925	ARNKBEMORSAGLK-HZPDHXFCSA-N	288.435	2.913	70	20	CFID	
CCCC[C@H](CC)CC(=O)N1CCC[C@H]1CNC	161238959	ADIOPAGAZJGAAN-KBPBESRZSA-N	254.418	2.803	70	20	CFID	
CC(C)CC1(C(=O)N[C@H]2CCC[C@H](N)C2)CCC1	161248810	RQADTXRZNWEWAZ-STQMWFEESA-N	252.402	2.589	70	20	CFID	
CC(C)Oc1ccc(CN[C@H](C)C2CCN(C)CC2)cn1	160106171	LYGPKICVIVQRFO-CQSZACIVSA-N	291.439	2.689	70	20	CFID	
O=C(NCCc1cccc(O)c1)[C@H]1C[C@@H]1c1ccc(F)cc1	160137321	XIKREGRAHQAMMO-SJORKVTESA-N	299.345	2.994	70	20	CFID	
CCN(CCCO)C(=O)CCCc1c[nH]c2ccccc12	160454024	BYJRJHMPRYWGLL-UHFFFAOYSA-N	288.391	2.722	70	20	CFID	
CCCOc1cccc(CC(=O)NCCCOC(C)C)c1	160643191	OPULCPGQPRHWGA-UHFFFAOYSA-N	293.407	2.949	70	20	CFID	
O=C(CC[C@H]1CCCO1)Nc1cccc(OCCF)c1	160665921	HDJCBMRDXHYRGZ-CYBMUJFWSA-N	281.327	2.933	70	20	CFID	
C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1	160816563	KJBSOBCDEMEOOS-HUUCEWRRSA-N	293.455	2.835	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(N(C)C)cc1	160917245	FWBZXXHRLVTFRI-XHDPSFHLSA-N	274.364	2.696	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl	160967027	YXYZHLTVYMZHSY-YMTOWFKASA-N	280.755	2.814	70	20	CFID	
O=C(NS(=O)(=O)c1ccsc1)C1CCCCCC1	159641302	NTLCHWDRHOAVSF-UHFFFAOYSA-N	287.406	2.523	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(C(=O)NC(C)C)cc1	159668951	MXMPQDJOIYFEAB-LBPRGKRZSA-N	292.379	2.578	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1	159875063	MYYYXOYZKHVLMC-LLVKDONJSA-N	291.326	2.765	70	20	CFID	
CCCOc1ccc([C@@H](C)NCCO)c(OCCC)c1	159705092	SNZSCEMLDAPUME-CYBMUJFWSA-N	281.396	2.907	70	20	CFID	
Cc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1	159736199	NQHPXZGWRPRPAV-UHFFFAOYSA-N	299.374	2.562	70	20	CFID	
Cn1cc(Cl)cc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159944812	ASCGMOFNNFZUAU-GFCCVEGCSA-N	296.798	2.900	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1cc(C(F)(F)F)ccc1F	160058109	LOLPSGFPLSNGRX-VIFPVBQESA-N	293.260	2.735	70	20	CFID	
CN1CCN(Cc2ccc(O)cc2)[C@@H](c2ccccc2)C1	217745745	PUKXSDAXZBVBQV-GOSISDBHSA-N	282.387	2.881	70	20	CFID	
CCNC(=S)Nc1cc(Br)cc(OC)c1	160793214	ZDNQCXYQKVIKIQ-UHFFFAOYSA-N	289.198	2.764	70	20	CFID	
CNCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C	161337476	XJOOPLMPIQLNLI-OAHLLOKOSA-N	260.381	2.576	70	20	CFID	
O=S(=O)(F)CCN1CCCc2cc(Cl)cc(F)c21	883954514	PYORODPBNWQDBW-UHFFFAOYSA-N	295.738	2.531	70	20	CFID	
CC[C@@H](C)N(C)CCNC(=O)c1ccc(Cl)cc1O	217406420	AUCKGFIFBBDOBA-SNVBAGLBSA-N	284.787	2.506	70	20	CFID	
CCCN(CC)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1	217665680	WJXVHSKWCZXSFS-IXDOHACOSA-N	281.488	2.619	70	20	CFID	
COCCC1(CNC(=O)N(C)[C@H](C)C2(C)CC2)CC1	161092908	PCEQIUWVNIJHQP-GFCCVEGCSA-N	268.401	2.633	70	20	CFID	
C[C@@H](CNC(=O)C1(CN)CCCC1)Sc1ccccc1	161116698	KZWDFPIBPWDSCB-ZDUSSCGKSA-N	292.448	2.803	70	20	CFID	
CCCn1c(C)nnc1CSc1nc(C)c(C)o1	161264450	ABBQGHQNOKJSIX-UHFFFAOYSA-N	266.370	2.894	70	20	CFID	
COc1ccc([C@H](NC(=O)c2cc(C)ncn2)C(C)C)cc1	161377187	AGERZUJXUPVPEQ-MRXNPFEDSA-N	299.374	2.921	70	20	CFID	
Cc1cccc(C)c1CSCC(=O)NC[C@H]1CCCO1	161388832	ZRCAGASAVXQPSF-CQSZACIVSA-N	293.432	2.832	70	20	CFID	
C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccncc1	160139710	SFZCELFYMQZIGS-CZUORRHYSA-N	287.407	2.666	70	20	CFID	
Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccn(C)c1)N2	160290698	OQNMJNYRRGTWPC-AWEZNQCLSA-N	255.321	2.530	70	20	CFID	
O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CCSCC1	160815332	NEFQOVMXNROSNN-MNOVXSKESA-N	283.343	2.644	70	20	CFID	
COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1O	160879861	MBHHSLODDFWRDN-JQWIXIFHSA-N	293.363	2.718	70	20	CFID	
O=C(NC1CC=CC1)c1ccccc1OCC1CC1	160936923	SHHXFVOYSKAHIH-UHFFFAOYSA-N	257.333	2.924	70	20	CFID	
O=C(NC1CC=CC1)C1(c2ccc(F)cc2)CCOCC1	160974551	BENRRMODSILYSD-UHFFFAOYSA-N	289.350	2.709	70	20	CFID	
Cc1nnc(CSc2nnc(-c3cccs3)o2)n1C	160975081	BZKYRWWTVCWHDL-UHFFFAOYSA-N	293.377	2.527	70	20	CFID	
CCC(CC)CN(CC)C(=O)C(=O)Nc1ccc(C)nc1	160979205	WQGVVEDHBWXYQF-UHFFFAOYSA-N	291.395	2.613	70	20	CFID	
C[C@H](O)CN(C)Cc1nc(-c2c(F)cccc2F)cs1	159807423	KMHXXPIXVSABPS-VIFPVBQESA-N	298.358	2.901	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1	159875208	MYYYXOYZKHVLMC-NSHDSACASA-N	291.326	2.765	70	20	CFID	
Cc1cccc([C@@H]2CCCN2Cc2cccc(C(N)=O)c2)n1	159879056	HXGBXHOUZWSKAK-KRWDZBQOSA-N	295.386	2.826	70	20	CFID	
O=C(Nc1cccnc1)N1CCc2cccc(F)c2C1	159504702	RNBVWWJGWTVPSA-UHFFFAOYSA-N	271.295	2.811	70	20	CFID	
CCO[C@H]1CCCN(C(=O)c2ccc(Cl)c(OC)c2)C1	159931611	OBLRKICVKHEDCY-LBPRGKRZSA-N	297.782	2.990	70	20	CFID	
C[C@H]1C[C@H](C)CN(C(=O)c2ccnc(Cl)c2F)C1	160735912	OTJOFHFAYNAFDX-IUCAKERBSA-N	270.735	2.992	70	20	CFID	
CC(C)CC1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	864243386	HTVLBTKYOYPVOS-UHFFFAOYSA-N	299.367	2.653	70	20	CFID	
CCSCc1ccc(C(=O)NC[C@@H](C)CCO)cc1	161015504	VOJLFTFYTKTOMY-LBPRGKRZSA-N	281.421	2.688	70	20	CFID	
CCC(CC)(CN)C(=O)NCC(C)(C)c1cccc(F)c1	161236736	DRDAZQZTJJJDPO-UHFFFAOYSA-N	294.414	2.985	70	20	CFID	
CCCn1c(C)nnc1Cn1cnc2cc(F)c(F)cc21	161256772	IWJSDFAVXAKSEC-UHFFFAOYSA-N	291.305	2.673	70	20	CFID	
C[C@H](O)CN(C)C(=O)c1ccc(CCC(F)(F)F)cc1	160092057	NJCIDFJTUOXYSD-JTQLQIEISA-N	289.297	2.634	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)C1CC1	160204995	BYIKVNDSNNVXNH-HZMBPMFUSA-N	259.349	2.845	70	20	CFID	
Cc1csc(=O)n1CC(=O)CCC1CCCC1	160390466	XHFSZQZIRCDTLY-UHFFFAOYSA-N	253.367	2.758	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H]1CCCc3sccc31)CC2	160493083	PUEWRNHZNFWYFO-DGCLKSJQSA-N	288.420	2.630	70	20	CFID	
O=C(NC1CC=CC1)c1ncoc1-c1ccccc1	160844851	ZCVSLWLQVPNBGH-UHFFFAOYSA-N	254.289	2.790	70	20	CFID	
CC(C)CSCCCNC(=O)c1ccnc(N(C)C)c1	160858558	VDUMJVIRHFWFSL-UHFFFAOYSA-N	295.452	2.657	70	20	CFID	
CCc1nnc(COc2ccc(OC(C)C)cc2)o1	160884793	GQTAAPGZJWWLBC-UHFFFAOYSA-N	262.309	2.998	70	20	CFID	
O=C(OCc1cncs1)c1noc2c1CCCCC2	159640663	PIDZMSDLUBUBKE-UHFFFAOYSA-N	278.333	2.757	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1C[C@@H]1C1CC1	159508868	PQDAJCCVWKGXRM-MCIONIFRSA-N	263.381	2.641	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1C)CC2	159597219	HZTHAJRQXJHSNO-JSGCOSHPSA-N	270.380	2.561	70	20	CFID	
CC(C)CCN(C(=O)Cc1ccccc1O)C1CC1	159398466	BLRJFQRKEPUXTJ-UHFFFAOYSA-N	261.365	2.972	70	20	CFID	
CCCn1nccc1CN[C@H](C)CCc1ccco1	159985587	OQELPGWDLDRVGF-CYBMUJFWSA-N	261.369	2.997	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)c1cccnc1	159909890	SYZXDTZYJQANDM-CQSZACIVSA-N	268.316	2.508	70	20	CFID	
CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864240984	GIYHAWAGEXLPLY-JQWIXIFHSA-N	299.367	2.748	70	20	CFID	
CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864244136	MDBDUDFMSWMZJQ-OCCSQVGLSA-N	299.367	2.509	70	20	CFID	
COc1ccc(C(=O)NC[C@H]2CCC[C@@H](C)C2)c(O)c1	218009919	YIJQXUDQTUVXPY-NEPJUHHUSA-N	277.364	2.957	70	20	CFID	
CCc1ncsc1C(=O)NCC[C@H](O)c1ccccc1	161279751	WDMWKZJORILADK-ZDUSSCGKSA-N	290.388	2.559	70	20	CFID	
CCc1ccc(CC(=O)N(C)C[C@@H]2CCCCO2)cc1	161421500	SLMQOJMFCPKXOC-INIZCTEOSA-N	275.392	2.819	70	20	CFID	
Cc1ccc2nc(C3CC3)cc(C(=O)NCC(C)(C)N)c2c1	160093309	DKPAWEPAVCULGP-UHFFFAOYSA-N	297.402	2.888	70	20	CFID	
CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccn(C)c1	160288129	OWNDMAUTMKXDBK-CQSZACIVSA-N	275.396	2.568	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1ccc2ncccc2c1	160307795	FUWIEWXIXWKOFI-UHFFFAOYSA-N	284.359	2.517	70	20	CFID	
COc1ccc(C(=O)N(C)Cc2cccn2C)c(C)c1	160411928	UYSBQFJUYGALAR-UHFFFAOYSA-N	272.348	2.614	70	20	CFID	
C[C@@H](CO)N(C)C(=O)c1ccc(COc2ccccc2)cc1	160510028	AKVJASHHHNFDLF-AWEZNQCLSA-N	299.370	2.718	70	20	CFID	
CC(C)[C@H]1CN(Cc2cnc3ccccn23)CCS1	160878392	MESRONZPXOUOJJ-CQSZACIVSA-N	275.421	2.908	70	20	CFID	
CCCC1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1	160884148	NLOJJCRCHNFSKZ-ZBCRRDGASA-N	282.428	2.902	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](CC)OC1CCCCC1	160885024	SMCPQFSZZFANNV-OCCSQVGLSA-N	299.411	2.572	70	20	CFID	
Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@](C)(O)C1	159624045	VABYGVLLVHDDKD-CJNGLKHVSA-N	276.380	2.612	70	20	CFID	
COCCCn1ccc(Nc2nc(C(C)(C)C)ns2)n1	159629043	ZSXBGHQNQOIHAG-UHFFFAOYSA-N	295.412	2.812	70	20	CFID	
CCN(C(=O)[C@@H](C)Nc1cc(C)n(C)n1)c1ccccc1	159649478	ORFHPEPHKLOKMH-CYBMUJFWSA-N	286.379	2.582	70	20	CFID	
C[S@@](=O)c1cccc(NC(=O)CCCn2cccc2)c1	159486611	XYHUCJHZYFRNDI-FQEVSTJZSA-N	290.388	2.644	70	20	CFID	
COC(=O)[C@H](Nc1cc(C)n(C)n1)c1ccccc1Cl	159685231	KZFMOEXVMNGDGU-CYBMUJFWSA-N	293.754	2.708	70	20	CFID	
O=C(CCc1ccsc1)N1CCC(NCC2CC2)CC1	159738225	UOZYMCABIFKECO-UHFFFAOYSA-N	292.448	2.671	70	20	CFID	
CC(=O)Nc1ccc(F)c(C(=O)NCC2(C3CC3)CC2)c1	159948135	QQWJNAQXTUYUAD-UHFFFAOYSA-N	290.338	2.704	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2CCC[C@@H]2C)n1	159966898	GPIWGNYOBKXVRT-LBPRGKRZSA-N	264.373	2.945	70	20	CFID	
O=c1[nH]c(CN2CC[C@@H]3CCCC[C@@H]32)nc2ccsc12	159645324	JLUKGAHJYCQEET-JQWIXIFHSA-N	289.404	2.749	70	20	CFID	
Cc1noc(C)c1C[C@H](C)NC(=O)OC(C)(C)C	159842825	TZROTBSADSEKBR-QMMMGPOBSA-N	254.330	2.747	70	20	CFID	
CCOC(=O)[C@H](C)N1CCC[C@@H](CN2CCCC[C@@H]2C)C1	217188779	CYWORMZXLJMYGI-JYJNAYRXSA-N	296.455	2.524	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc(F)c(F)c1	160685683	UQOAIJPRGTZIOQ-UHFFFAOYSA-N	264.275	2.576	70	20	CFID	
C[C@@H](CN[C@@H]1CCCc2ccc(O)cc21)N(C)C1CC1	217560013	PRAKNHIEYHHTJA-YVEFUNNKSA-N	274.408	2.842	70	20	CFID	
C[C@H](OC1CCCCCC1)C(=O)N[C@H]1CCC[C@H](N)C1	161012249	JDNPMIHJNVQIRZ-IHRRRGAJSA-N	282.428	2.500	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)o1	161125025	NMIKENYWLHQQQU-REHUNXQESA-N	289.375	2.929	70	20	CFID	
NC(=O)[C@H]1CCCN1Cc1cc(-c2ccccc2)cs1	160362679	IJVLLPSWLFTQNP-OAHLLOKOSA-N	286.400	2.865	70	20	CFID	
CC[C@@H](C)OCC(=O)N(C)c1ccc(F)c(F)c1	160743022	VUUTYJMGMLMCDX-SECBINFHSA-N	257.280	2.743	70	20	CFID	
CCN(Cc1cncs1)C[C@H]1COc2ccccc2O1	160949838	JVZBZSPQDHLRGA-LBPRGKRZSA-N	290.388	2.805	70	20	CFID	
Cc1cc(SCc2nncn2C)nc2ccccc12	160964741	NUULFTDOFUNSBH-UHFFFAOYSA-N	270.361	2.964	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(CC)CC1	159683731	AZYBOBZZGIEEOF-CABCVRRESA-N	281.444	2.692	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@H]1c1ccc[nH]1	159496710	XSEAHZIILVDDII-ZDUSSCGKSA-N	290.392	2.560	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)CN(C)C	159910147	PCEKZHYZDCRDEM-CHWSQXEVSA-N	294.464	2.864	70	20	CFID	
COc1cc(C(=O)OCc2cncs2)cc(OC)c1C	159577673	JFNRPNHPEUYWFY-UHFFFAOYSA-N	293.344	2.826	70	20	CFID	
CCSCC[C@@H](C)NC(=O)[C@@H]1CNc2ccccc21	160219200	NOXRIQOPPACDNJ-DGCLKSJQSA-N	278.421	2.844	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@@H](C)c1cccc(C)c1C	160836523	KDGUEAASHOPHBJ-JSGCOSHPSA-N	280.437	2.561	70	20	CFID	
CN(C(=S)Nc1ccccc1)[C@@H]1CCSC1	160046015	HHCGYVKIUDQJOF-LLVKDONJSA-N	252.408	2.821	70	20	CFID	
Cc1cc(N[C@@H]2CCN3CCCC[C@@H]23)nc(C(C)C)n1	217360934	OLWNAKRSVLWRQE-KGLIPLIRSA-N	274.412	2.947	70	20	CFID	
C/C=C/C=C/C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161388330	YFQORELQQCHXAN-UJZKJSEWSA-N	294.395	2.634	70	20	CFID	
O=C(c1cccnc1)N1CCc2c(Cl)cccc21	161433410	YVUYSLWGVXZXNU-UHFFFAOYSA-N	258.708	2.938	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C)s1)CC2	160303375	TWNOGJYLIZFOQH-JQWIXIFHSA-N	276.409	2.622	70	20	CFID	
CN(C[C@H]1CCCCO1)C(=O)CCc1ccc(F)cc1F	160427770	YTGCUSDWHWSJPB-CQSZACIVSA-N	297.345	2.925	70	20	CFID	
Cc1cccc(OCCC(=O)N(C)Cc2cccn2C)c1	160509243	DSVCYMXBLNNTPY-UHFFFAOYSA-N	286.375	2.761	70	20	CFID	
CS[C@H](C)CNC(=O)NCCc1c(C)cccc1C	160679552	KAQAIJCHSHLZKW-CYBMUJFWSA-N	280.437	2.897	70	20	CFID	
O=C(NC1CC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	160718011	DXYHNGAEPBIKCE-JTQLQIEISA-N	297.761	2.519	70	20	CFID	
CNC[C@H](C)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C	159891061	UXLOKTCATZBXHQ-KKUMJFAQSA-N	274.408	2.555	70	20	CFID	
O=S(=O)(F)c1ccc(-c2cccs2)nc1F	536952642	DQTXKPMSSHRALW-UHFFFAOYSA-N	261.274	2.607	70	20	CFID	
CN(Cc1cc(Cl)cn1C)C(=O)NC1CCCC1	161434969	WJWUDYFZFBGGHD-UHFFFAOYSA-N	269.776	2.763	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1C[C@H](C)OC[C@@H]1C	161134009	GTKDOQQWEDYUDV-WUHRBBMRSA-N	279.405	2.796	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1Cc1sccc1C	161268498	DYFCSJQHIKUDIN-GFCCVEGCSA-N	267.394	2.974	70	20	CFID	
Cc1ccccc1OCCCC(=O)N[C@H]1CCC[C@H](N)C1	161336137	MYBAMYHDLAGMRB-GJZGRUSLSA-N	290.407	2.540	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)CC(C)C	160032941	TZLOGWLQCGCHCQ-NSHDSACASA-N	257.374	2.517	70	20	CFID	
C[C@H](Cc1cccc(Cl)c1)C(=O)NCCCF	160043564	HKKQNZUABRRIBB-SNVBAGLBSA-N	257.736	2.994	70	20	CFID	
Brc1cnc(N[C@H]2CCO[C@H](C3CC3)C2)nc1	160268482	ZCFPVBCAWHLQTH-QWRGUYRKSA-N	298.184	2.609	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](Cc1ccccc1)C1CC1)CC2	160320990	PEOHRQBMPNMTSC-SJORKVTESA-N	296.418	2.512	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC[C@@H]2CCCS2)n1	160374040	WQDRUNWDENVWSO-LBPRGKRZSA-N	296.440	2.946	70	20	CFID	
CS[C@@H](C)CNC(=O)Nc1ccc(C)c(NC(C)=O)c1	160468483	CRDMMWGUOIUFTH-JTQLQIEISA-N	295.408	2.826	70	20	CFID	
CCC[C@@H](C)[C@H](CC)N[C@@H]1CCc2nc(C)nn2C1	160469124	UMEGXYUYRPPMQN-BNOWGMLFSA-N	264.417	2.706	70	20	CFID	
CCC(=O)Nc1ccc(NC(=O)NC[C@H](C)SC)cc1	160510124	IYMNVYRQLZGCQH-JTQLQIEISA-N	295.408	2.908	70	20	CFID	
CC(C)c1ccc(C(=O)NCCc2ccccn2)cn1	160674125	FAVXOAOYZYUJKQ-UHFFFAOYSA-N	269.348	2.573	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1ccc(CN(C)C)cc1	160868227	MTKASRLHHGLLJP-IIDMSEBBSA-N	289.467	2.567	70	20	CFID	
O=C(CC1CCOCC1)N[C@H]1CCOC2(CCCCC2)C1	160889935	NWBNLDVZUIBQLL-HNNXBMFYSA-N	295.423	2.801	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@H]1C	160935763	KYMRRDLHSBEVTH-RYUDHWBXSA-N	299.378	2.744	70	20	CFID	
CCCCC[C@H](C)NC(=O)NOCc1cccnc1	160986751	BSXGNRCPMMXLKB-LBPRGKRZSA-N	265.357	2.781	70	20	CFID	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCC1(C2CC2)CC1	159362052	NRFQFBKBIVRSHB-HIFRSBDPSA-N	294.439	2.927	70	20	CFID	
CCCC[C@@H](Sc1nnc(C)s1)C(=O)OC	160594058	ZYEJAWDGJVOGSB-MRVPVSSYSA-N	260.384	2.670	70	20	CFID	
CSC[C@@](C)(O)CNCc1ccc2c(c1)CC(C)(C)O2	217840999	ZTIUEHPPZFVNOP-INIZCTEOSA-N	295.448	2.604	70	20	CFID	
NCCCC(=O)N[C@H](Cc1ccccc1)c1cccs1	161066421	HUZKSTLTRDRPQT-CQSZACIVSA-N	288.416	2.887	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)CN(C)C(C)C)c2C)o1	161387011	WKGVMGNCDDMVSH-UHFFFAOYSA-N	290.367	2.565	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1	161448036	FZYLZZYYTAWTGG-MLGOLLRUSA-N	298.386	2.832	70	20	CFID	
CC(C)(N)CNC(=O)c1ccc(COc2ccccc2)cc1	160011347	BJCOWRXGIXSVLT-UHFFFAOYSA-N	298.386	2.733	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1	160060490	REXDTCVNZUYRKN-UONOGXRCSA-N	294.439	2.530	70	20	CFID	
CCC(CC)(CC)CNC(=O)N1CCC[C@H](NC(C)=O)C1	160084449	VAKZEKQUNTXXDP-AWEZNQCLSA-N	297.443	2.513	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(Cl)s1)CC2	160370614	OVDMBGOAHFAPIK-SCZZXKLOSA-N	296.827	2.967	70	20	CFID	
CN(CC[C@@H]1CCCCN1C)Cc1cnc2ccccn12	160802306	OXECVSCEISOAKT-HNNXBMFYSA-N	286.423	2.641	70	20	CFID	
CC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1	159809492	JQMPMGLKQGCRQQ-CYBMUJFWSA-N	293.392	2.614	70	20	CFID	
Cc1ccc(C)c(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c1	159621491	AXBGBFFOXCNMQT-ZDUSSCGKSA-N	286.379	2.784	70	20	CFID	
CN(CCNC(=O)N1CCC2(CCC2)C1)c1ccccc1	159495019	AAXAOFMAGOEJNM-UHFFFAOYSA-N	287.407	2.708	70	20	CFID	
CCc1noc(CSCc2ccc(C(=O)OC)s2)n1	159714407	JTFNZOJKUDSQCK-UHFFFAOYSA-N	298.389	2.914	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc2oc(=O)ccc2c1	159947572	VUIUSRCDQFQHSU-SNVBAGLBSA-N	275.304	2.547	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc([C@H]2CCN[C@@H]2C)n1	159961922	UXZXUGHZQYQTBX-KWCYVHTRSA-N	287.363	2.661	70	20	CFID	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)C[C@@H]2CCCN2)c1	159970231	RTDKPMWLGXVSBI-CABCVRRESA-N	274.408	2.965	70	20	CFID	
CCN(CC(C)C)C(=O)CCCc1nc(C2CC2)no1	159590590	CBRVJCCBAGQZIS-UHFFFAOYSA-N	279.384	2.774	70	20	CFID	
Nc1ccc(-c2nc([C@H]3CCCCS3)no2)c(O)c1	160683129	QUGARVQXKIVEFV-LLVKDONJSA-N	277.349	2.983	70	20	CFID	
Cc1cccc(C(=O)NCCCN2CCCCC2)c1F	161416112	OXHYDEMADCJQMT-UHFFFAOYSA-N	278.371	2.740	70	20	CFID	
CC[C@@H](CCO)NC(=O)CSCc1ccc(C)cc1	160124986	TXXNTUAPQMWVMS-AWEZNQCLSA-N	281.421	2.505	70	20	CFID	
COc1ccc(C)cc1CNCCNC(=O)OC(C)(C)C	218144502	BDTPHEJADAPTOZ-UHFFFAOYSA-N	294.395	2.618	70	20	CFID	
CC[C@H](N)C(=O)N1CC2(CCCC2)c2ccccc21	161014044	NHSCSVAVWPOFFN-ZDUSSCGKSA-N	258.365	2.582	70	20	CFID	
CCN(C(=O)CN)[C@@H](C)c1cccc(C(F)(F)F)c1	161115471	ZTOZXZQGOZDUDJ-VIFPVBQESA-N	274.286	2.574	70	20	CFID	
O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CCCCO1	161241290	NVEYUSFTNBJOGD-HNNXBMFYSA-N	273.376	2.794	70	20	CFID	
CSc1cccc(NC(=O)c2cc(C)ncn2)c1	161264556	PVLODESVWRTFRJ-UHFFFAOYSA-N	259.334	2.759	70	20	CFID	
CS[C@@H](C)CNC(=O)C[C@@H](C)c1c(C)noc1C	161312161	HWQDUMUGCWOWGB-BDAKNGLRSA-N	270.398	2.653	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1ccc2c(c1)CCCC2	160323802	JITXDSORPGXMBV-UHFFFAOYSA-N	287.403	2.848	70	20	CFID	
COc1cc(NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)ccc1F	160339487	MFVLRGSMOLYNIM-YOGCLGLASA-N	292.354	2.694	70	20	CFID	
Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(=O)n1C	160500540	DQILNFULBHRLTF-OAHLLOKOSA-N	296.370	2.671	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)CC)CCO1	160557023	FNHKXYSFTIJYMZ-RWMBFGLXSA-N	256.390	2.632	70	20	CFID	
Cc1c(F)ccc2sc(NC(=O)[C@@H]3CCCO3)nc12	160805466	PLSHYLRVLILOIV-VIFPVBQESA-N	280.324	2.861	70	20	CFID	
C[C@H](CC(=O)N(C)Cc1cccn1C)c1ccncc1	160917377	NZPZSRPIKUQAKL-CYBMUJFWSA-N	271.364	2.572	70	20	CFID	
Cc1cnc([C@@H](C)NC(=O)NCc2ncccc2F)s1	159406956	WJSQUTCPWZIKDX-SECBINFHSA-N	294.355	2.546	70	20	CFID	
CCC(C)(C)NC(=O)Cc1cccc(OCCOC)c1	159604673	LNEVIJVHJQCYQT-UHFFFAOYSA-N	279.380	2.559	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)N(C)[C@H]2CCSC2)c1	159818454	XQWMSEOWNNKZBJ-ZDUSSCGKSA-N	293.392	2.614	70	20	CFID	
CC[C@H](COC)NC(=O)N[C@H]1CC[C@H](C)C[C@@H]1C	159857347	URVNBDALMXAQTQ-RVMXOQNASA-N	256.390	2.535	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCCOCC(F)(F)F)C1	159727178	OCSNNYLNYZFEBU-NXEZZACHSA-N	267.291	2.508	70	20	CFID	
CC(=O)C[C@@H](C)NC(=O)Cc1c(C)nc2ccccc2c1C	159956121	WJISRFZNEJXLRJ-LLVKDONJSA-N	298.386	2.878	70	20	CFID	
C[C@H]1CCCC[C@H]1OCCCS(=O)(=O)Cl	112155162	LQGJQLNRFXQAKW-VHSXEESVSA-N	254.779	2.540	70	20	CFID	
C[C@@H](CNc1cccc(Br)n1)N(C)C1CC1	218720926	JEHDTINKUIFYNH-VIFPVBQESA-N	284.201	2.739	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CC[C@H](N)C1	161105435	MSCGNGAHDTUDGS-PMPSAXMXSA-N	274.408	2.594	70	20	CFID	
c1cc(OCc2nccs2)cc(-c2nnco2)c1	161235213	DNUIXOXMVNXVMV-UHFFFAOYSA-N	259.290	2.772	70	20	CFID	
CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)COC	160072402	RZQXLVJBTNWZTN-OAHLLOKOSA-N	291.439	2.655	70	20	CFID	
COc1ncc(Cl)c(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160390445	SZISNAKTOCBWHE-KOLCDFICSA-N	283.759	2.508	70	20	CFID	
CCCC(=O)N1CCCC[C@H]1C(=O)NCC1(CCC)CC1	160690694	FPEZRBXTCXYQAO-AWEZNQCLSA-N	294.439	2.864	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccnc1	160700014	IBGNMXUUAJVYMI-JTQLQIEISA-N	274.345	2.534	70	20	CFID	
Cc1cc(N[C@H](C)c2nc(-c3ccccc3)no2)nn1C	159648747	RRNIPKQVTWJGMB-LLVKDONJSA-N	283.335	2.952	70	20	CFID	
CCCCOc1ccc([C@H](C)NCCO)cc1OC	159713398	NHVQCXWQEYLUTE-LBPRGKRZSA-N	267.369	2.517	70	20	CFID	
Cc1c(F)cccc1NC(=O)c1cnc2c(c1)ncn2C	159931689	DIDGKAQTEFTZBO-UHFFFAOYSA-N	284.294	2.668	70	20	CFID	
CCn1cc(Cl)cc1C(=O)NCc1ccc(CN)cc1	159581516	WFPABQHADSGWOP-UHFFFAOYSA-N	291.782	2.550	70	20	CFID	
CCO[C@H]1C[C@H](NCc2cccc3c2OCCO3)C1(C)C	217874490	VMRWOMBYIQQRIM-GJZGRUSLSA-N	291.391	2.751	70	20	CFID	
c1cnc2c(CN[C@H]3CCN4CCCC[C@@H]34)cccc2c1	217632286	WEROAEBXSYCOFV-IRXDYDNUSA-N	281.403	2.951	70	20	CFID	
C[C@@H](c1ccccc1)[C@H](F)CS(=O)(=O)Cl	1537958950	OWOZSYPVYNHISZ-WCBMZHEXSA-N	250.722	2.697	70	20	CFID	
O=S(=O)(Cl)Cc1nc2cc(Cl)ccc2o1	100656155	QVCBRPOOJFCPFK-UHFFFAOYSA-N	266.105	2.550	70	20	CFID	
CCN(Cc1cnn(C)c1)Cc1cccc2cccnc12	161109669	PBDTWZMZSKUUSI-UHFFFAOYSA-N	280.375	2.990	70	20	CFID	
CC(C)CC[C@@H](C)NC(=O)N[C@@H](CCO)C(C)(C)C	161160288	BOCLHGHMQXDCTA-OLZOCXBDSA-N	272.433	2.907	70	20	CFID	
CCCc1noc(CS[C@@H](C)C(=O)OC(C)(C)C)n1	161318933	RHWOYTAWJJMENI-VIFPVBQESA-N	286.397	2.986	70	20	CFID	
CCNC(=O)C(C)(C)CNc1cccc(C(F)(F)F)n1	161338747	HRAUSLZELWLVNI-UHFFFAOYSA-N	289.301	2.675	70	20	CFID	
Cc1ccc(CN(C)CCN(C)c2ccccc2)nc1	160087251	SBENXPMVGDIWMU-UHFFFAOYSA-N	269.392	2.958	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1ccc2c(c1)OCCO2	160109069	ZTXNDKMHTPNASA-KGLIPLIRSA-N	292.423	2.839	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1ccccc1OC(F)F	160309633	KURJJQOAHYDVHM-UHFFFAOYSA-N	299.317	2.571	70	20	CFID	
O=C(Cc1ccc(O)cc1Cl)N[C@@H]1C=CCCC1	160380029	PGVXZYXMYYBKEN-LLVKDONJSA-N	265.740	2.813	70	20	CFID	
C[C@@H](NCc1ccccc1CN1CCOCC1)C1(C)CC1	160488764	KJQBQFXFTOJZFN-OAHLLOKOSA-N	288.435	2.797	70	20	CFID	
CC(C)c1cc(C(=O)N(C)c2ccc3c(c2)OCO3)n[nH]1	160529658	CUBXIUQQMBXNKH-UHFFFAOYSA-N	287.319	2.538	70	20	CFID	
C[C@H](NC[C@@H](C)N(C)Cc1ccccc1)C1CCOCC1	160897641	ZIXBUTVWHRCOLC-CVEARBPZSA-N	290.451	2.912	70	20	CFID	
O=C(Nc1nc2ccccc2s1)N[C@H]1CC[C@H](O)CC1	159844397	BDDFEKORSBXMNN-AOOOYVTPSA-N	291.376	2.721	70	20	CFID	
O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[C@H](O)CC1	160089122	OBDQOVNHUHLLSJ-OTVXOJSOSA-N	274.364	2.600	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@H](N)CC(C)C)cc1	159655295	RYIRGXQOUSHHCB-DZGCQCFKSA-N	262.397	2.588	70	20	CFID	
O=C(OCc1ccc(Cl)cc1)[C@H]1CCCCO1	159493021	HOEGGFPUOXFEMR-GFCCVEGCSA-N	254.713	2.952	70	20	CFID	
CC(C)(C)C(=O)CNC(=O)[C@@H](c1ccccc1)C1CC1	159508655	HBYUOTQOGODWRM-HNNXBMFYSA-N	273.376	2.912	70	20	CFID	
CCc1oc(C(=O)NCC2(N)CCCCC2)cc1C	159551082	OYXQYSYMYQPNQV-UHFFFAOYSA-N	264.369	2.542	70	20	CFID	
CCCCNC(=O)[C@H](C)Nc1ccn(CCC(C)C)n1	159956691	RXNWKCVEHTWNFE-ZDUSSCGKSA-N	280.416	2.646	70	20	CFID	
CCCSCC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1	159571469	NBJPNJODPYBFAA-UKRRQHHQSA-N	295.448	2.801	70	20	CFID	
CC(C)c1ncc(C(=O)N(C)C[C@H]2CCCCO2)s1	159586464	KNYOCJKXNVMCJG-LLVKDONJSA-N	282.409	2.908	70	20	CFID	
C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H](C)C1	1340628627	ATBBJNROCZSUOB-GHMZBOCLSA-N	299.367	2.605	70	20	CFID	
CCCC[C@@H](NC(=O)[C@@]1(C)CCCO1)C(=O)OC(C)(C)C	161205916	HRBLRXLTDQZHDV-MLGOLLRUSA-N	299.411	2.572	70	20	CFID	
CCC(=O)N1CC[C@@H](C(=O)N(C)CCC2CCCCC2)C1	161345827	MYDLXLFSKATTRQ-OAHLLOKOSA-N	294.439	2.674	70	20	CFID	
CCc1noc(CSCCc2c(C)noc2C)n1	160125545	LQDCZHHVOCDPCL-UHFFFAOYSA-N	267.354	2.713	70	20	CFID	
COC(=O)C[C@H](C)C(=O)Nc1cc(C(C)(C)C)ccc1O	160515555	QGJHZISSWLTHJU-JTQLQIEISA-N	293.363	2.827	70	20	CFID	
O=C(CCc1ccc(F)cc1F)N[C@@H]1CCCSC1	160839155	BFOKJQYSERYWNU-GFCCVEGCSA-N	285.359	2.909	70	20	CFID	
CCC[C@@H](NCC(=O)NC(C)C)C1CCCCC1	160965758	VREVKDICCPGNTC-CQSZACIVSA-N	254.418	2.850	70	20	CFID	
Cc1cc(NC(=O)c2ccc(Cl)s2)c[nH]c1=O	159406335	OSRFCMVDMBUIQA-UHFFFAOYSA-N	268.725	2.651	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(NC(N)=O)cc2)C1	159413598	FCLSGGRBRCCEHA-DGCLKSJQSA-N	289.379	2.620	70	20	CFID	
CCCOc1ccccc1NC(=O)[C@H]1CCCCO1	159889160	NNJPNKNXJXDCBN-CQSZACIVSA-N	263.337	2.983	70	20	CFID	
Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2Cl)nn1C	159560352	KOEKXEQOGXBJDW-JTQLQIEISA-N	292.770	2.821	70	20	CFID	
O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]2CNC[C@@H]21	216652018	KGJSROQEOSHGTB-SKDRFNHKSA-N	299.296	2.531	70	20	CFID	
COc1cc([C@H](C)NCC(C)(C)O)ccc1SC	160636767	MVEDGASFRCYSEX-JTQLQIEISA-N	269.410	2.839	70	20	CFID	
COCCOc1ccccc1NC(=O)C[C@H](C)SC	161045587	AISPBPRPCZAQHZ-NSHDSACASA-N	283.393	2.792	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)Cc1ccc(CO)o1	161158905	KIPDDLUQJXAWNV-UHFFFAOYSA-N	295.766	2.936	70	20	CFID	
CN(C(=O)Cc1cccc(OC(F)(F)F)c1)C1CC1	161325338	WATVBYIMPMSCGP-UHFFFAOYSA-N	273.254	2.749	70	20	CFID	
CCC[C@H](CC)NC(=O)c1ccc(C(=O)NC2CC2)cc1	161494175	NHBVIWSWMZUARC-AWEZNQCLSA-N	288.391	2.887	70	20	CFID	
COc1cc(CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)ccc1O	160161009	GVVVBLFWKATZHM-NEPJUHHUSA-N	292.379	2.588	70	20	CFID	
O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@H](CCO)C1	160189702	QPBNKWDGJANYIO-XXXXFFMBSA-N	291.435	2.680	70	20	CFID	
CC(C)(C)NC(=O)N1CCO[C@](C)(c2ccccc2)C1	160194401	FGFYTYQNEGSKQD-INIZCTEOSA-N	276.380	2.742	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1c(F)cc(F)cc1F	160406386	MSSOYHAISTUYHG-UHFFFAOYSA-N	282.265	2.715	70	20	CFID	
C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160502739	RZCWAPVSSBTWJD-SMDDNHRTSA-N	299.378	2.792	70	20	CFID	
C[C@@H](NCCCc1nc2c(s1)CCCC2)[C@H]1CCOC1	160590904	OLECDFYMABUREJ-OLZOCXBDSA-N	294.464	2.969	70	20	CFID	
CN(Cc1cccn1C)C(=O)Cc1cc(F)ccc1F	160734081	NZLJAJAHDDNVGR-UHFFFAOYSA-N	278.302	2.504	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2CC[C@H](N)C2)ccc1OC(C)C	160903038	GXWWLECUFNRQQP-OLZOCXBDSA-N	276.380	2.848	70	20	CFID	
CC(C)(C)c1ncsc1C(=O)NC1CC=CC1	160925355	ZZIRNVROZBMHPE-UHFFFAOYSA-N	250.367	2.889	70	20	CFID	
CCOc1ccc(NC(=O)N[C@H](COC)C2CC2)cc1F	159411549	WYBMLNPBUNWGRA-CYBMUJFWSA-N	296.342	2.771	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccccc1OC	159719095	BHYDNZUHSOAENB-CZUORRHYSA-N	261.365	2.790	70	20	CFID	
Cc1ccc(CNc2ccc(C)c(NS(C)(=O)=O)c2)o1	159754190	ZIGVNWPDYPORNI-UHFFFAOYSA-N	294.376	2.880	70	20	CFID	
COc1ccc(Cl)cc1[C@@H](C)NCC(=O)NC(C)C	160988499	LPGLBUBMHSZROS-SNVBAGLBSA-N	284.787	2.524	70	20	CFID	
CC(=O)N1CCC(C(=O)Oc2ccc(C)c(Cl)c2)CC1	217963582	BUZPEBUMPGDLHH-UHFFFAOYSA-N	295.766	2.812	70	20	CFID	
CN(CCCCc1ccccc1)Cc1nccn1C	160806525	YWEKOBXFMJFCFM-UHFFFAOYSA-N	257.381	2.875	70	20	CFID	
CCc1occc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460096386	XGICHPRKINIZQO-UHFFFAOYSA-N	297.307	2.753	70	20	CFID	
CC1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CCCC1	864240177	VTZXXCRQOXXKRE-UHFFFAOYSA-N	299.367	2.655	70	20	CFID	
Cc1cc(C(=O)Cn2cnc3c2CCCC3)c(C)n1C	216902480	SLYDVHYINMSTNL-UHFFFAOYSA-N	271.364	2.600	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)CC(C)C	160032838	TZLOGWLQCGCHCQ-LLVKDONJSA-N	257.374	2.517	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)Cc1ccccc1	160052874	SAORHFXVJHDPNU-UHFFFAOYSA-N	292.379	2.560	70	20	CFID	
CCc1ncnc(N2CCC[C@H]2CN2CCCCC2)c1F	160458644	LTLGABITVKUJDR-ZDUSSCGKSA-N	292.402	2.633	70	20	CFID	
CCCC1(CNC(=O)c2cnc3n[nH]c(C)c3c2)CC1	160788912	VHRYCQXUYYGVCZ-UHFFFAOYSA-N	272.352	2.576	70	20	CFID	
CC(C)[C@H](O)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1	159407082	SGXOIVCCERJDTQ-HUUCEWRRSA-N	293.407	2.676	70	20	CFID	
CCOc1ccc(NC(=O)N2CCC[C@@](C)(O)C2)cc1F	159726045	QTKBAAOXOYZNJE-OAHLLOKOSA-N	296.342	2.603	70	20	CFID	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NC2(C)CCC2)C1	159937939	ZCXXEGULBGDVSK-MGPQQGTHSA-N	281.444	2.595	70	20	CFID	
CCc1ccc([C@H](CO)NC(=O)NCC2(C)CCC2)cc1	159581822	QIDWFZHKBWMORR-HNNXBMFYSA-N	290.407	2.772	70	20	CFID	
O=S(=O)(Cl)c1cccc2nc(Cl)sc12	97956499	BWDXTKPGRXOIJF-UHFFFAOYSA-N	268.146	2.877	70	20	CFID	
CCn1cnnc1CNCc1ccc(C(F)(F)F)cc1	218231781	ZRUNAYZIULSZJW-UHFFFAOYSA-N	284.285	2.607	70	20	CFID	
CO[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)nn2)C1(C)C	218061913	ZTMNRRRIJLYCRJ-RKDXNWHRSA-N	275.274	2.721	70	20	CFID	
CC(C)(C)C[C@H](CO)Nc1cc(N2CCCCC2)ncn1	161460856	IAMBRIOABPVHNP-CYBMUJFWSA-N	292.427	2.676	70	20	CFID	
Cc1nc(NC(=O)CC[C@@H]2CCCCO2)cc(C2CC2)n1	160025200	NRZHRGQXYFGWLQ-ZDUSSCGKSA-N	289.379	2.950	70	20	CFID	
CCc1noc(C)c1CSCC(=O)N1CCCCC1	160080836	WBTCTYBWEWRAPG-UHFFFAOYSA-N	282.409	2.791	70	20	CFID	
C[C@@H](NCCN(C)Cc1ccc(F)cc1)C1CCOCC1	160147807	ISNVSBLUOSNTKC-CQSZACIVSA-N	294.414	2.662	70	20	CFID	
CCN(CCNC(=O)[C@H](C)c1cccs1)C(C)C	160177764	MHBJSONDCHMVHQ-GFCCVEGCSA-N	268.426	2.698	70	20	CFID	
c1nc2c(c(N[C@H]3CCO[C@@H](C4CC4)C3)n1)CCCC2	160418963	HNRMVVSORDTYLS-SWLSCSKDSA-N	273.380	2.725	70	20	CFID	
CCc1cc(NC(=O)N(Cc2ccccc2)OC)n(C)n1	160425040	KAZYBDIQQBDPBK-UHFFFAOYSA-N	288.351	2.578	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1c(F)cccc1F	160427701	CXTSVFKGUOLDIS-UHFFFAOYSA-N	264.275	2.576	70	20	CFID	
CC(=O)Nc1cccc(NCc2cn(C)nc2C)c1C	160430257	NIXIFYGTVDXPON-UHFFFAOYSA-N	272.352	2.607	70	20	CFID	
O=C(CC[C@@H]1CCCO1)Nc1cccc(OCCF)c1	160665798	HDJCBMRDXHYRGZ-ZDUSSCGKSA-N	281.327	2.933	70	20	CFID	
C[C@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)[C@H](C)CN1C	160773981	LDQRCWZABSOUOI-MXSMSXNCSA-N	290.451	2.819	70	20	CFID	
CCN(CC)[C@H]1CCN(Cc2c(C)nc3ccccn23)C1	160876970	QDFDEXDYRRBPFP-HNNXBMFYSA-N	286.423	2.559	70	20	CFID	
Cc1noc(NC(=O)C[C@H]2CCCCC2(C)C)n1	159886095	RVSPGNPSWGGYDX-SNVBAGLBSA-N	251.330	2.923	70	20	CFID	
CC(C)CN(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)C1CC1	159727452	ICBAKCWADUZXBR-HOCLYGCPSA-N	278.440	2.898	70	20	CFID	
CCOC(CCNCc1ccc(OC)c(OC)c1)OCC	159533960	MQMZMXFZAUOJOZ-UHFFFAOYSA-N	297.395	2.583	70	20	CFID	
CCn1cc(Br)cc1C(=O)NC1(C)CCC1	159943638	CKIWKXICKHELPZ-UHFFFAOYSA-N	285.185	2.943	70	20	CFID	
CCOc1cccc(NC(=O)N2CCOC3(CCC3)C2)c1	159562652	OAPHCXKWNYXMCB-UHFFFAOYSA-N	290.363	2.872	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(CCNC(C)C)n1	159965268	PCBBUUYPPDNJQV-HNNXBMFYSA-N	289.379	2.736	70	20	CFID	
C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCCO1	159997891	LJXSMFODZWVQIL-WFASDCNBSA-N	259.349	2.923	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](N)C2)cc1	159942369	IYHZJZNIODILES-NWANDNLSSA-N	260.381	2.690	70	20	CFID	
CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160296407	SJCQBGMHPRYJDS-JTQLQIEISA-N	282.359	2.940	70	20	CFID	
Cc1nc2c(n1Cc1ccn(C(C)C)n1)CCCC2	160732959	BJRNBEVELJUXIE-UHFFFAOYSA-N	258.369	2.896	70	20	CFID	
CC1(O)CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1	161208694	KZHKKLLXSRGOPS-UHFFFAOYSA-N	295.251	2.729	70	20	CFID	
O=S(=O)(F)CCN1CCCc2ccc(Cl)c(F)c21	883954573	RMSQCLSCYRVNDM-UHFFFAOYSA-N	295.738	2.531	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)NCCn1cccn1	161019571	XETNMBZAOVYILQ-CYBMUJFWSA-N	263.385	2.606	70	20	CFID	
CC[C@@](C)(O)CN1CCN(C2CCC(C(C)C)CC2)CC1	161497270	WILBAKTUXLRKDM-DAWZGUTISA-N	296.499	2.980	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2C[C@H]2C)cc1Cl	160044371	LDWIEKQHBHZELJ-SCZZXKLOSA-N	253.729	2.967	70	20	CFID	
CCO[C@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F	160058317	VHTRRJGJBMETCX-SCZZXKLOSA-N	277.242	2.653	70	20	CFID	
C[C@H]1CCCN1[C@@H]1CCCN(c2ccccc2F)C1=O	160096360	VQAFEFRDVVJRMB-SWLSCSKDSA-N	276.355	2.805	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)Sc1ccccc1	160304566	GTMXZMJPIFSZQR-RYUDHWBXSA-N	295.404	2.625	70	20	CFID	
CCOc1cccc([C@H](C)NCc2n[nH]c(CC)n2)c1	160378816	MCXSFAWRHAZYLD-NSHDSACASA-N	274.368	2.617	70	20	CFID	
Cc1cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)n(C)n1	160390670	IBZSMRZTBFEZOC-LLVKDONJSA-N	299.252	2.584	70	20	CFID	
CCC(N)(CC)CNC(=O)CCc1ccc(Cl)cc1	160431224	PTQCLFXVCLYRNC-UHFFFAOYSA-N	282.815	2.906	70	20	CFID	
Cc1ccc(-c2nnc([C@@H](C)N3CCOCC3)o2)cc1C	160472093	KMCSFHIQYLXQAO-CYBMUJFWSA-N	287.363	2.747	70	20	CFID	
CCO[C@@H]1C[C@@H](N(C)Cc2cnc3ccccn23)C1(C)C	160570030	AGFVRXUSVUMGFY-HUUCEWRRSA-N	287.407	2.970	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1CC1(C)C)c1c(C)noc1C	160577116	ZHULFGPVDDFLEO-GHMZBOCLSA-N	250.342	2.905	70	20	CFID	
CC(C)[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1	160625134	WQARAVSITYZTDG-CVEARBPZSA-N	293.455	2.691	70	20	CFID	
CC1(C)C[C@H](Nc2nc(C3CC3)ns2)CCO1	160650020	LOEWGNLUIQUATG-SECBINFHSA-N	253.371	2.785	70	20	CFID	
C[C@@H](c1cc2ccccc2o1)N(C)Cc1nncn1C	160751749	CHQARLBEBYVAIR-NSHDSACASA-N	270.336	2.754	70	20	CFID	
CC(C)(CCC(=O)N[C@H]1CCC[C@@H]1O)c1ccccc1	160829352	YEBZLCZLRBKGJE-GJZGRUSLSA-N	275.392	2.774	70	20	CFID	
CC(=O)N1CCCc2cc(NC(=O)NCC(C)C)ccc21	160839510	KSNVULLFQDWTSV-UHFFFAOYSA-N	289.379	2.763	70	20	CFID	
O=C(CCC(=O)NC1CCCC1)Nc1cc(F)cc(F)c1	160995387	JHFJVNLSNJYUEN-UHFFFAOYSA-N	296.317	2.742	70	20	CFID	
CC[C@H](N[C@@H]1CCCCNC1=O)c1ccc(F)cc1F	160997806	DSKIFRUUDRMCHI-UONOGXRCSA-N	282.334	2.674	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CCC[C@@H]2O)cc1	159669528	LMOBTPDCGFHSRO-IMJJTQAJSA-N	290.407	2.858	70	20	CFID	
CCOc1ccc([C@@H](CC)NCCO)cc1OCC	159713821	AAARFUYTEXAXAM-CYBMUJFWSA-N	267.369	2.517	70	20	CFID	
COC(=O)[C@@H](C)CN(C)C(=O)CC[C@H](C)c1ccccc1	159957870	CUBRPACPOFXRHP-KBPBESRZSA-N	291.391	2.838	70	20	CFID	
CC[C@H](C)CS(=O)(=O)NC1CCC(OC(C)C)CC1	159388395	HSLCUJXXNTXXCY-HSBZDZAISA-N	291.457	2.688	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC[C@H]2CCCCO2)n1	159794280	FDIQPOBGQOCTKL-CYBMUJFWSA-N	294.399	2.620	70	20	CFID	
CCNC(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F	161502751	GFMBHSRAIOFODP-SNVBAGLBSA-N	276.258	2.618	70	20	CFID	
Cc1cccc(CCNC(=O)NCCc2ccc(O)cc2)c1	217398871	MYDZWYQZUSSAGJ-UHFFFAOYSA-N	298.386	2.785	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cccc2c1OCCCO2	217397041	YIOXKFSUCFHYBY-CQSZACIVSA-N	292.423	2.668	70	20	CFID	
C[C@H](O)CCOc1c(F)cc(F)cc1Br	161016683	NMJSKQAAZVMMDW-LURJTMIESA-N	281.096	2.877	70	20	CFID	
C[C@H](c1ccccn1)N(C)CCCN1CCCCC1	161460901	ZUWJFMJWAXTVNU-OAHLLOKOSA-N	261.413	2.950	70	20	CFID	
CCN(CCCN1CCCCC1)Cc1ccccn1	161409297	XVXLDHWTGXOAPA-UHFFFAOYSA-N	261.413	2.780	70	20	CFID	
c1ccc(CCNCc2cccc3cc[nH]c23)nc1	218061866	WZZXLSDUCUSBCQ-UHFFFAOYSA-N	251.333	2.895	70	20	CFID	
CC[C@H](CC(=O)NC[C@@H]1CCOC1)c1ccc(OC)cc1	161112559	POFCTRBXDHKZPT-UONOGXRCSA-N	291.391	2.732	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCC2(CCOC)CC2)o1	161262283	OTGOBDLDSWEDDX-VOTSOKGWSA-N	277.364	2.788	70	20	CFID	
COc1ccc2c(c1)[C@@H](NC1CCN(C)CC1)CCCO2	161425907	MXAMYTHVVDNTJU-INIZCTEOSA-N	290.407	2.593	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)N2CCN(C3CCCC3)CC2)C1	160009242	YUMXGHGATNMQQY-CABCVRRESA-N	278.440	2.900	70	20	CFID	
CCCn1nccc1CNc1ccc(OCCOC)cc1	160066366	NGSJHPHWLSONQH-UHFFFAOYSA-N	289.379	2.930	70	20	CFID	
CCN(CC)[C@@H](C)CNC(=O)[C@@H](C)c1cccs1	160070642	FHGBWIRABUPSGO-RYUDHWBXSA-N	268.426	2.698	70	20	CFID	
CC[C@H](CC(=O)NCCN(C)CC)c1ccc(C)cc1	160146812	MJFNQQFSPGGLGD-OAHLLOKOSA-N	276.424	2.947	70	20	CFID	
CCc1ccc(CC(=O)N[C@H](C)CN2CCCCC2)cc1	160360396	QQUJZJLHBZHNRV-OAHLLOKOSA-N	288.435	2.782	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)c1cccc(F)c1	160584452	GUPRMRNTNXOFBD-NWDGAFQWSA-N	295.354	2.777	70	20	CFID	
C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1	160714038	RXQVGWAXSVCNHZ-FVQBIDKESA-N	293.455	2.691	70	20	CFID	
C[C@H]1C[C@@H]1c1ccc(CN(Cc2nncn2C)C2CC2)o1	160782266	RFWFDOZXFCMVDQ-FZMZJTMJSA-N	286.379	2.696	70	20	CFID	
CCc1nnc(COc2ccc(NC(=O)C(C)C)cc2)o1	160936797	AVARYZXVTFIXDR-UHFFFAOYSA-N	289.335	2.806	70	20	CFID	
C[C@H](c1ccco1)N(C)C(=O)NCCc1cscn1	159410026	JOBDBEYUGYJKQS-SNVBAGLBSA-N	279.365	2.681	70	20	CFID	
COC(=O)Cc1cccc(NC(=O)c2cc(C)ccc2O)c1	159454409	ZXAMOJRVWQLPOE-UHFFFAOYSA-N	299.326	2.668	70	20	CFID	
CC(C)(CNC(=O)C[C@H]1CCCN1)Cc1ccccc1	159489428	MPPCKEQITFAJRY-OAHLLOKOSA-N	274.408	2.514	70	20	CFID	
COc1cccc(NC(=O)N(C)CCc2nccs2)c1	159725939	QFDZSSVZIXFSQN-UHFFFAOYSA-N	291.376	2.858	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCCc3sccc32)c(=O)[nH]1	159938730	ISLKXTBIBVZDNM-GFCCVEGCSA-N	288.372	2.552	70	20	CFID	
CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCN(C(C)=O)C1	159546727	YMXUCQCZIFSUNI-CVEARBPZSA-N	294.439	2.720	70	20	CFID	
Cc1cccc([C@@H](C)C(=O)N2CCN(C(C)C)CC2)c1	159557502	UGNORUBPKBIVDM-OAHLLOKOSA-N	274.408	2.651	70	20	CFID	
CCc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)o1	159596074	XXPZYUMOZCROQU-ILXRZTDVSA-N	261.365	2.889	70	20	CFID	
O=S(=O)(Cl)c1cccc(N=S2(=O)CCCC2)c1	536957074	DIWZCVBROQEZFK-UHFFFAOYSA-N	293.797	2.507	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N[C@H]2CCCSC2)n1	160397336	AVIWZFXVRMUHDF-LBPRGKRZSA-N	296.440	2.946	70	20	CFID	
C[C@H](C1CC1)N(C)C(=O)Nc1ccn(CC(F)(F)F)n1	160420982	QMDODZKMCQULEH-MRVPVSSYSA-N	290.289	2.708	70	20	CFID	
COc1cc(NC(=O)c2[nH]nc3ccccc23)ccc1F	160505005	UWNDTAINDTYJSC-UHFFFAOYSA-N	285.278	2.963	70	20	CFID	
CC[C@H](NC(=O)Nc1cccc(COC)c1)[C@@H]1CCCO1	160578034	BGWFLZBCZYODSH-GJZGRUSLSA-N	292.379	2.912	70	20	CFID	
CCCn1c(C)nnc1CN(CC)C[C@@H](C)CC	160595671	CMVFMQUCYIGLHR-LBPRGKRZSA-N	252.406	2.865	70	20	CFID	
CCC(CC)(C(=O)N1CCCNCC1)c1ccccc1	160844546	LEVVQGQEAKNKQI-UHFFFAOYSA-N	274.408	2.566	70	20	CFID	
Cc1cc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nn1C	159628559	YVIWCVODVSPGIZ-JTQLQIEISA-N	292.770	2.821	70	20	CFID	
CCCCNC(=O)[C@H](C)N[C@H](C)c1cccc(F)c1F	159430900	RWIKQGSMQWUCNM-MNOVXSKESA-N	284.350	2.920	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCCc1nc(C2CC2)no1	159835513	KITVNCAWICOQQR-YPMHNXCESA-N	291.395	2.965	70	20	CFID	
CC[C@H](Oc1ccc(NC(=O)OC(C)(C)C)cc1)C(N)=O	159442680	KYGOVJUSEOZFDT-LBPRGKRZSA-N	294.351	2.676	70	20	CFID	
Cc1cc(OCC(=O)Nc2ccn(C)n2)cc(C)c1Cl	159444502	RVAUXVSRKOOSMG-UHFFFAOYSA-N	293.754	2.708	70	20	CFID	
O=C(Nc1ccccc1OC(F)F)[C@H]1CCCCO1	159641794	PBYAXWFHIVNITL-LLVKDONJSA-N	271.263	2.796	70	20	CFID	
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(F)c1F	159468889	WARAQALRVKPGON-BONVTDFDSA-N	290.313	2.842	70	20	CFID	
CC(C)NCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159717876	PDCSQWHNDWLGFK-HZPDHXFCSA-N	274.408	2.827	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnc2n[nH]c(C)c2c1	159520009	QHKXWVPKHJTDMF-MFKMUULPSA-N	272.352	2.575	70	20	CFID	
COc1ncccc1CNCc1cccc2c1NCCC2	159374364	CRKUOEIFOBWSIN-UHFFFAOYSA-N	283.375	2.738	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc([C@@H]2CCN[C@@H]2C)n1	159961697	UXZXUGHZQYQTBX-MRVWCRGKSA-N	287.363	2.661	70	20	CFID	
CCC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160241994	VMNOLZWOBBXOGD-MNOVXSKESA-N	282.359	2.940	70	20	CFID	
O=S(=O)(F)Oc1ccc(-n2cnc3ccccc32)cc1	1887577538	CWXPMPSNQXAMLG-UHFFFAOYSA-N	292.291	2.619	70	20	CFID	
Cn1nc(CNCCCN2CCCCC2)c2ccccc21	218079756	XEZPALORHWNCNM-UHFFFAOYSA-N	286.423	2.539	70	20	CFID	
CC[C@H](C)NC(=O)C(=O)Nc1sc(C)nc1CC(C)C	161006717	FADAYJMUQBBOFK-VIFPVBQESA-N	297.424	2.503	70	20	CFID	
CC[C@H](NCc1ccc(OC(C)C)nc1)[C@H]1CCOC1	160089007	ZIPRFVNAKRKMHL-GJZGRUSLSA-N	278.396	2.774	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1nc2ccccc2n1C	160128711	RYOTZKFLRWTUQX-BDJLRTHQSA-N	271.364	2.626	70	20	CFID	
CC(C)[C@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1	160625537	WQARAVSITYZTDG-JKSUJKDBSA-N	293.455	2.691	70	20	CFID	
CCn1ccnc1CN(CCOC)Cc1ccccc1	160685551	GJEILXVTONFQSW-UHFFFAOYSA-N	273.380	2.552	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCCc1ccc(C)s1	160766929	SZWOQTWJOFDDTF-LLVKDONJSA-N	297.420	2.837	70	20	CFID	
Cc1nn(C)c(C)c1CNC(=O)C1CCC(C)(C)CC1	160823069	LJXWZSFLZWPFMO-UHFFFAOYSA-N	277.412	2.870	70	20	CFID	
O=C(NCC1CC1)N1CCC[C@H](Nc2ccccc2)C1	160885649	VTVJTKIFKGXGLO-HNNXBMFYSA-N	273.380	2.683	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(F)n1	160916543	KHPINCQOTXUIFO-QMMMGPOBSA-N	277.299	2.958	70	20	CFID	
Cc1cccc(-c2cncc(C(=O)N3CCC[C@H](O)C3)c2)c1	159823749	RTDJXUQDGXUHTI-KRWDZBQOSA-N	296.370	2.654	70	20	CFID	
C/C=C/C=C/C(=O)N[C@@H]1CCCc2cc(N)ccc21	159373577	RVFPVZPKGAFUAY-HUHAPFJLSA-N	256.349	2.895	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CC1	159392000	HHYUABBEMPUVJU-CVEARBPZSA-N	273.376	2.708	70	20	CFID	
C[C@H](O)CN(C)[C@@H](C)c1cccc(Br)c1	159399401	BWSOHOQKCFZZLB-UWVGGRQHSA-N	272.186	2.823	70	20	CFID	
O=S(=O)(Cl)c1ccc2c(c1)N(CCCl)CCC2	100441868	CGLSXYXBSFAKHH-UHFFFAOYSA-N	294.203	2.606	70	20	CFID	
CCN(C)C(=O)N(C)[C@H](C)Cc1ccccc1OC	160636393	CWEBROVAQJDNSZ-GFCCVEGCSA-N	264.369	2.630	70	20	CFID	
CC(=O)[C@@H]1C[C@@H](CC(=O)NC2CCCC2)C1(C)C	218439556	GNBHFPDNJSOFCT-AAEUAGOBSA-N	251.370	2.687	70	20	CFID	
Cc1nn(C)cc1CN(C)CCOc1ccc(Cl)cc1	161153909	DYEXXWXSDVQESB-UHFFFAOYSA-N	293.798	2.893	70	20	CFID	
CSC[C@H](C)Nc1ccc(C(F)(F)F)nn1	161055165	ZFDSRTNYXWEMNY-LURJTMIESA-N	251.277	2.659	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cnn(C)c1	161319921	QLHJCGOEFANFLN-MNOVXSKESA-N	261.350	2.532	70	20	CFID	
CCNC(=O)Nc1cccc(NC(=O)C[C@H](C)SC)c1	161392224	JWLABHNEGWKVHS-JTQLQIEISA-N	295.408	2.908	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@](C)(CO)CCC)c1C	160020115	RNFCTTOHSVSLRZ-OAHLLOKOSA-N	296.415	2.664	70	20	CFID	
CC1(C)CCCC[C@@H]1NC(=O)NCc1ncccc1F	160264437	ODIIYYHTWAOSAN-ZDUSSCGKSA-N	279.359	2.989	70	20	CFID	
CCCNC(=O)c1cccc(CN[C@H](COC)C(C)C)c1	160624923	USGPXWSEZGFFAW-MRXNPFEDSA-N	292.423	2.587	70	20	CFID	
COC(C)(C)c1noc(-c2cc(C(C)C)on2)n1	160884181	ZWBGHESKGBOBSV-UHFFFAOYSA-N	251.286	2.730	70	20	CFID	
COc1cc(OC)c(NC(=O)NOCC(C)C)cc1F	160903758	UILDHEWBCHHVSZ-UHFFFAOYSA-N	286.303	2.552	70	20	CFID	
Cc1noc(C)c1C(=O)N1CCc2c(F)cccc2C1	160938127	IPAHACMKORWTDT-UHFFFAOYSA-N	274.295	2.629	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@@H]1C	160957529	YPUPTTJTFIYMRM-STQMWFEESA-N	299.378	2.777	70	20	CFID	
CSCCCCC(=O)N[C@@H]1COc2ccccc2C1	159855329	MYDZHKBENKVOMQ-ZDUSSCGKSA-N	279.405	2.640	70	20	CFID	
C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCCCO1	159998153	LJXSMFODZWVQIL-SWLSCSKDSA-N	259.349	2.923	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cccc(F)c1	460092824	NHMIGQKOMYCFDZ-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
Cc1c(OC(F)F)cccc1S(=O)(=O)Cl	108209477	HAZJNQQRVXBZEM-UHFFFAOYSA-N	256.657	2.524	70	20	CFID	
CCc1ncc(NC(=O)C[C@H](C)c2c(C)noc2C)cn1	161012309	RUQBSBIPKXYYSK-VIFPVBQESA-N	288.351	2.776	70	20	CFID	
C/C=C(\C=C\C(=O)Nc1cccc(-c2nnnn2C)c1)CC	161163365	OKWFPCWXJZDUCK-XBXLSIANSA-N	297.362	2.728	70	20	CFID	
CCCCN1CCC(NC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1	161426139	DHXCUSMCTRFCEE-GJZGRUSLSA-N	295.471	2.938	70	20	CFID	
CCC(CC)(CO)CNC(=O)C[C@@H](C)c1c(C)noc1C	161467933	AMNRSERHFGPRNL-LLVKDONJSA-N	296.411	2.700	70	20	CFID	
O=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CCCNC1	160050013	QTGKKAIKQMQKSJ-OAHLLOKOSA-N	286.419	2.962	70	20	CFID	
O=C1[C@H](Oc2ccc(F)cc2)CCCN1CC(F)(F)F	160528747	NPQCUANJNFHVDW-LLVKDONJSA-N	291.244	2.758	70	20	CFID	
CCCC1(CNC(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)CC1	160696713	JPPJAHCJPUGPOS-OLZOCXBDSA-N	281.396	2.662	70	20	CFID	
CCC(CC)c1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)on1	159477261	QBSJFZPWSRWXGX-UHFFFAOYSA-N	289.335	2.827	70	20	CFID	
Fc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159510204	QZRZUIPBBRYRDZ-KKUMJFAQSA-N	261.340	2.873	70	20	CFID	
CCc1nn(C)cc1C(=O)N[C@@H]1CCCc2sccc21	159916780	UVBZMMWOWNDHRW-CYBMUJFWSA-N	289.404	2.851	70	20	CFID	
CCc1nc(C(=O)Nc2ncn(C3CCCCC3)n2)co1	159742037	CGYJSYXOWPYNRF-UHFFFAOYSA-N	289.339	2.586	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1ccco1)N1CCCC1	159560184	CPKRSQIWPUQTPW-JKIFEVAISA-N	290.407	2.969	70	20	CFID	
Cc1cc(NC(=O)c2cc3cc(F)ccc3o2)c[nH]c1=O	159566207	CYRJAMOQOJUGHG-UHFFFAOYSA-N	286.262	2.821	70	20	CFID	
C[C@H]1CN(C)CC[C@@H]1NCCCc1cccc(F)c1	159770356	SKFLNJZNTLEZSI-BBRMVZONSA-N	264.388	2.688	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)[C@@H]1CCCS1	159442844	PZZVXQJLRGGQGL-AWEZNQCLSA-N	279.405	2.557	70	20	CFID	
O=C(NCC(F)(F)F)Nc1c(F)cc(F)cc1F	160641949	BYYCSVGRDHLTLP-UHFFFAOYSA-N	272.148	2.788	70	20	CFID	
Cc1csc(CNC(=O)[C@H]2CCC[C@H](C)C2)n1	159780346	UNWAUGAFDSLLFF-ONGXEEELSA-N	252.383	2.894	70	20	CFID	
O=C(C1CCC1)N1CCOc2cc(Br)ccc21	217255561	QTEPVHHUMPWBAB-UHFFFAOYSA-N	296.164	2.975	70	20	CFID	
C[C@@H](C(=O)N1CCc2c(F)cccc2C1)C1CCOCC1	161041844	AFHREEXHPIITHG-GFCCVEGCSA-N	291.366	2.773	70	20	CFID	
Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H](N)C2)s1	161226037	UOCIVSPLMZBSPM-STQMWFEESA-N	280.437	2.765	70	20	CFID	
CCCCN1CCC(NC(=O)N2CC[C@H](C)[C@H](C)C2)CC1	161425893	DHXCUSMCTRFCEE-LSDHHAIUSA-N	295.471	2.938	70	20	CFID	
CC[C@@H](NC(=O)c1ccc(O)nc1C)c1nc(C)cs1	161440431	FCFXXRGYASKOQT-LLVKDONJSA-N	291.376	2.742	70	20	CFID	
Cc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OC(F)F	160091190	TYSKIMCPPPTNRH-NSHDSACASA-N	284.306	2.677	70	20	CFID	
CC(C)Oc1ccc(CN[C@@H](C)C2CCOCC2)cn1	160108021	IXKQZQZANKTTJQ-ZDUSSCGKSA-N	278.396	2.774	70	20	CFID	
CCn1c(NC(=O)[C@@H]2CCCCO2)nc2ccccc21	160235016	DSTBQVRICAUTPD-ZDUSSCGKSA-N	273.336	2.564	70	20	CFID	
CCc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(C)n1	160383866	IHDHITZAVSNTGC-ZIAGYGMSSA-N	261.369	2.717	70	20	CFID	
CC[C@@H](C)OCC(=O)N(C)CCCc1ccc(OC)cc1	160387101	RSHNVENNXRQYEE-CQSZACIVSA-N	293.407	2.901	70	20	CFID	
CCc1nc(CNC2(c3ccc(F)cc3F)CCC2)n[nH]1	160469719	INCXVMHWEGQHEB-UHFFFAOYSA-N	292.333	2.814	70	20	CFID	
CCCNC(=O)c1cccc(CN[C@@H](COC)C(C)C)c1	160624828	USGPXWSEZGFFAW-INIZCTEOSA-N	292.423	2.587	70	20	CFID	
CC[C@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	160666174	LDFFUPKZCXITPF-NSHDSACASA-N	252.362	2.849	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CCC[C@@H](C)C1	159452007	BSMJEOGBVZFMLJ-ZJUUUORDSA-N	283.803	2.944	70	20	CFID	
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(C)o1	159886341	FMLZSWYDCCMVED-UHFFFAOYSA-N	297.358	2.847	70	20	CFID	
O=C(NCCCF)NCC1(Cc2ccccc2)CC1	159521552	QZHHPOMSDCDURT-UHFFFAOYSA-N	264.344	2.668	70	20	CFID	
CC(C)(N)CNC(=O)C1(c2cccc(F)c2)CCCCC1	159965205	DECRXPPLLCZUIY-UHFFFAOYSA-N	292.398	2.881	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1O	159396886	MOLNVMIHEASUJI-LBPRGKRZSA-N	293.338	2.753	70	20	CFID	
COc1ccnc(N[C@H]2CCCc3cc(N)ccc32)n1	159489256	VDZIUWSWLKUUHY-ZDUSSCGKSA-N	270.336	2.557	70	20	CFID	
CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	864239066	UUSXXNZBDZMLHI-LBPRGKRZSA-N	299.367	2.750	70	20	CFID	
Cc1coc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1C	1329516809	JDULCEBUUJLDPT-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1Cc1occc1C	161271161	TWMQORINUMTKNQ-LBPRGKRZSA-N	251.326	2.506	70	20	CFID	
COC[C@H](NCCOc1ccccc1C)C(C)C	161356881	NERXKTFBCSDRIH-AWEZNQCLSA-N	251.370	2.634	70	20	CFID	
Cc1cc(C(=O)Nc2ccccc2N2CCCC2)ncn1	161422219	TUHHWYLRXDOWRJ-UHFFFAOYSA-N	282.347	2.638	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)C2CCC2)o1	161484001	GTQRZCLGGXKYPW-ZDUSSCGKSA-N	263.337	2.890	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CC(F)(F)F	160000869	KESQEHJNASOQLR-SNVBAGLBSA-N	273.254	2.751	70	20	CFID	
COc1ccccc1CC(=O)NCC1(C2CC2)CC1	160094544	SRCPFHVQYJYRCN-UHFFFAOYSA-N	259.349	2.544	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1	160399716	MJFHQKNAROIABV-MRXNPFEDSA-N	292.398	2.605	70	20	CFID	
Cc1nc(Cl)cc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160400516	OVYGYMJIFQFUNP-WDEREUQCSA-N	267.760	2.808	70	20	CFID	
Cc1cc2ccccc2n1CC(=O)N(C)Cc1cccn1C	160768188	UUAUSAUPQSXQSR-UHFFFAOYSA-N	295.386	2.947	70	20	CFID	
C[C@H](c1nc(-c2cccs2)no1)N(C)C[C@H](O)C1CC1	160827128	BGEVWIVFLMLJSF-KOLCDFICSA-N	293.392	2.562	70	20	CFID	
Cc1cc(NC(=O)c2ncn(-c3ccccc3)n2)ccc1O	160838008	QIXCDMSQFXPALC-UHFFFAOYSA-N	294.314	2.534	70	20	CFID	
CCCCCN(Cc1nncn1C)[C@H](C)CCC	160853798	XKYRQKRQEQDHGT-CYBMUJFWSA-N	252.406	2.996	70	20	CFID	
Cc1[nH]c2ccc(C(=O)N(C)[C@@H](CN)C3CC3)cc2c1C	159802041	DIBVRCUAERMGLD-INIZCTEOSA-N	285.391	2.594	70	20	CFID	
COCCCC(=O)Nc1cc(F)ccc1OC(F)F	159428849	PRTKGFWQCLLFNR-UHFFFAOYSA-N	277.242	2.792	70	20	CFID	
Cc1ocnc1CNc1cnc2cc(F)c(F)cc2n1	159628425	YSLYPCKQEFOOQY-UHFFFAOYSA-N	276.246	2.817	70	20	CFID	
O=C(NCC1CC1)[C@H]1C[C@H]1c1cccc(F)c1F	159642651	PAEJUQUQWJSKFC-QWRGUYRKSA-N	251.276	2.595	70	20	CFID	
CC(C)(NC(=O)C[C@H]1CCCN1)c1cccc(Cl)c1	159647970	WWXHCTYOLMKJMJ-CYBMUJFWSA-N	280.799	2.833	70	20	CFID	
O=C(CCCSCCN1CCOCC1)c1ccccc1	159880435	APOPBPPTZKAIHV-UHFFFAOYSA-N	293.432	2.715	70	20	CFID	
CCN(CC)[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159754421	LTDGHOLMGLKRCR-LLVKDONJSA-N	282.457	2.756	70	20	CFID	
Cc1ccc2cccc(NC(=O)Nc3ccn(C)n3)c2n1	159773298	BJWXYZLLMJLNOG-UHFFFAOYSA-N	281.319	2.921	70	20	CFID	
CCC(CC)CC(=O)N1CCC(NCC2CC2)CC1	159790659	WWWIZCYODGEUKY-UHFFFAOYSA-N	266.429	2.803	70	20	CFID	
CCSCC[C@@H](C)NC[C@H](O)COc1ccccc1C	160147041	UJJJNQLFGREYHH-CABCVRRESA-N	297.464	2.856	70	20	CFID	
CC[C@H]1CCCCN1C(=O)NCCc1cscn1	159531247	OAAOHFSEJFLTDW-LBPRGKRZSA-N	267.398	2.660	70	20	CFID	
CC[C@H](Cc1ccccc1)N(C)C(=O)CC1CCNCC1	161106348	MFFOYPNUPVPYRO-QGZVFWFLSA-N	288.435	2.856	70	20	CFID	
CCCN(CCO)Cc1ccc(OCC(F)F)cc1	161203532	VQLGDELPMIWUNG-UHFFFAOYSA-N	273.323	2.535	70	20	CFID	
COc1ccc(OC)c(CCN[C@@H](C)C(C)C)c1	161414591	XQYQNLMHDGVNNL-LBPRGKRZSA-N	251.370	2.880	70	20	CFID	
Cc1ccc(F)c(OCC(=O)N[C@H](C)C[C@@H]2CCCO2)c1	160685311	KNXFUBNJEXAQHE-OLZOCXBDSA-N	295.354	2.587	70	20	CFID	
CCc1c(C(=O)Nc2nocc2C)cnn1CC(C)C	160783608	CZDWSNCWTDWZBX-UHFFFAOYSA-N	276.340	2.650	70	20	CFID	
O=C(NC[C@@H]1CCCc2ccccc21)[C@H]1CCCCO1	160869223	LYMIEAZGZFAEFI-GOEBONIOSA-N	273.376	2.792	70	20	CFID	
COC(=O)c1csc(NC(=O)N[C@H]2CCC[C@@H]2C)c1	160900367	PNHYLRQGZIHDST-WPRPVWTQSA-N	282.365	2.845	70	20	CFID	
Cc1cc(NC(=O)[C@H]2CC[C@@H](N)C2)ccc1OC(C)C	160903402	GXWWLECUFNRQQP-QWHCGFSZSA-N	276.380	2.848	70	20	CFID	
CC[C@@H](C)CN(CC)C(=O)NCC1(CCOC)CC1	160968729	VEBLSTIFZXYNEZ-CYBMUJFWSA-N	270.417	2.881	70	20	CFID	
CCC[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1	159811515	HZOMLMNITPCLER-GXTWGEPZSA-N	280.799	2.783	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(Cl)cc1C	159821761	ZPNNOBDYSICPFW-UHFFFAOYSA-N	297.786	2.638	70	20	CFID	
CCOc1ccccc1N(C)Cc1cn2cccnc2n1	159431326	BDOXKHMMURJMND-UHFFFAOYSA-N	282.347	2.764	70	20	CFID	
CC(C)C[C@H](C)OCCC(=O)N[C@@H](CO)CC(C)(C)C	159943871	MUKNWHLJBXFMAF-UONOGXRCSA-N	287.444	2.741	70	20	CFID	
C[C@H](CO)CSCc1noc(C2CCCCC2)n1	159836514	KHEQUWODQKCVLL-SNVBAGLBSA-N	270.398	2.979	70	20	CFID	
CC#CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675418	MRFKPLHOOIJBAQ-UHFFFAOYSA-N	297.351	2.785	70	20	CFID	
C=CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)F)cc1	864242063	UHXAVAHBYBSGGZ-UHFFFAOYSA-N	299.367	2.677	70	20	CFID	
C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864239233	DEXCPLXGTQHTRK-PHIMTYICSA-N	299.367	2.748	70	20	CFID	
COc1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1F	161127746	KFJOHKDBDJOTSU-JTQLQIEISA-N	284.356	2.804	70	20	CFID	
CCCC(O)(CCC)CC(=O)NCCC1CCN(C)CC1	161094400	VSDCTRKPVFDLGT-UHFFFAOYSA-N	298.471	2.556	70	20	CFID	
COC[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C(C)C	161043729	YAUZIIIYKIHCEK-WBMJQRKESA-N	279.380	2.779	70	20	CFID	
CCOCCC1(CNC(=O)N2C[C@H]3CCC[C@@H]3C2)CC1	161501970	GBXQSJNWWMFBNI-ZIAGYGMSSA-N	280.412	2.635	70	20	CFID	
O=C(CCOCc1ccccc1)NCCc1cccc(O)c1	160233967	OMHLZEYDGPAWGC-UHFFFAOYSA-N	299.370	2.658	70	20	CFID	
CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1cccs1	160418877	LKCACRNRYNIRRT-RYUDHWBXSA-N	276.409	2.704	70	20	CFID	
CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(F)n2)CCO1	160543657	OIQVGQYNQYLCOE-WDEREUQCSA-N	266.316	2.755	70	20	CFID	
CCCC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2)CC1	160662005	OGXRAAWGSYEYFH-UHFFFAOYSA-N	294.782	2.975	70	20	CFID	
CCn1nc(C(C)C)cc1C(=O)N(C)Cc1cccn1C	160780381	ASMXISJAXCUPCO-UHFFFAOYSA-N	288.395	2.637	70	20	CFID	
CCCC[C@@H](CC)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	159679329	ARNHCOBIXCALSM-KFWWJZLASA-N	266.429	2.946	70	20	CFID	
Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	123123732	DYIAACAYXWRSAM-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC(=O)NC1CCC(N[C@H](C)c2nc(C)cs2)CC1	161415239	QONPEMAMIBSRPY-QFWMXSHPSA-N	281.425	2.549	70	20	CFID	
C[C@@H](NCCC(C)(C)O)c1nc(C2CCCCC2)no1	160058588	ISIFEHQJXCUXFV-LLVKDONJSA-N	281.400	2.929	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CC[C@@H]1CCOC1	160113859	JHNIZVWFMWHDDC-DOMZBBRYSA-N	289.375	2.615	70	20	CFID	
CCn1nccc1CNc1cc(F)c(F)c(F)c1	160138616	GPDXGEZDYFRFMV-UHFFFAOYSA-N	255.243	2.932	70	20	CFID	
CC(C)OC(=O)CCCNc1nc(C2CC2)ns1	160259591	ADSPLJYLKIRAPQ-UHFFFAOYSA-N	269.370	2.559	70	20	CFID	
CCCNC(=O)c1cccc(CN[C@H](C)C(C)C)c1	160579854	LGASOTXBRKLOMO-CYBMUJFWSA-N	262.397	2.961	70	20	CFID	
CCCN(CC(=O)Nc1ccccc1C)Cc1cc[nH]n1	160742883	RGOHMNJZVXGJLZ-UHFFFAOYSA-N	286.379	2.569	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccn(C)n1	160764408	YWEXRORRWBOXSP-JTQLQIEISA-N	277.755	2.891	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCCN(C(C)=O)C1	160799340	QSTKHAOHGISXDK-OAGGEKHMSA-N	294.439	2.672	70	20	CFID	
CC(C)NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1	160936558	YALSFBGOPZGLJN-AWEZNQCLSA-N	297.402	2.924	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1	160986551	VSWOLMRJPKSNBX-ZUZCIYMTSA-N	288.347	2.589	70	20	CFID	
COCCCCC(=O)NCCc1cc2ccccc2[nH]1	159606886	TWGCSYDMYMURMM-UHFFFAOYSA-N	274.364	2.643	70	20	CFID	
Cc1sc(C(=O)NCCO)cc1-c1ccc(F)cc1	159475590	IABWWXRGOBINAH-UHFFFAOYSA-N	279.336	2.585	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)c1ccnc(OCC(F)F)c1	159779131	ULJRKDUYUGDRMQ-UWVGGRQHSA-N	286.322	2.890	70	20	CFID	
CCn1nccc1CNCCc1cccc(Cl)c1	159890917	LMHNEVCGNUUEKC-UHFFFAOYSA-N	263.772	2.889	70	20	CFID	
CN(C[C@H](O)c1cccc2ccccc12)[C@@H]1CCOC1	160771126	KJXYDCZLBJVPMH-PBHICJAKSA-N	271.360	2.594	70	20	CFID	
Cc1ccc(C)c(SCC(=O)N2CCC(C)(O)CC2)c1	161308093	JZQXLJDTUIFWDO-UHFFFAOYSA-N	293.432	2.769	70	20	CFID	
CCCC(=O)N1CCOc2ccc(Br)cc21	217246234	HGKONNYLKBNCLS-UHFFFAOYSA-N	284.153	2.975	70	20	CFID	
NC1(CNC(=O)c2ccc(Cl)s2)CCCCC1	159735049	XUCJLTADKRFNRP-UHFFFAOYSA-N	272.801	2.793	70	20	CFID	
CC[C@H](CCO)NC(=O)c1ccccc1C(C)(C)C	160094969	HNXXDYRZYXLTMF-GFCCVEGCSA-N	263.381	2.875	70	20	CFID	
CC[C@H](C)OCC[C@@H](C)CCS(=O)(=O)Cl	114640346	LGDAIGWCFDFVPQ-ZJUUUORDSA-N	256.795	2.786	70	20	CFID	
C[C@H]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241967	RASKCOSEBIKURW-QWRGUYRKSA-N	299.367	2.511	70	20	CFID	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)c1ccco1	776368566	XUHGUAPGUJTKIZ-SECBINFHSA-N	297.307	2.680	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ccc(C)cn1	161068855	QJQOSMOFQFOUSZ-SFHVURJKSA-N	264.350	2.557	70	20	CFID	
C[C@H](c1ccccc1)N1CCN(Cc2ccncc2)CC1	161199787	COWRTHQNSNORIC-MRXNPFEDSA-N	281.403	2.960	70	20	CFID	
C[C@@H](NC(=O)Nc1ccsc1)[C@H](O)Cc1ccccc1	160077636	QKISVMKURDQJIF-BXUZGUMPSA-N	290.388	2.862	70	20	CFID	
COC(=O)c1ccnc(NC(=O)[C@@H](C)c2cccs2)c1	160356260	QXZJPPKAUUFNJU-VIFPVBQESA-N	290.344	2.672	70	20	CFID	
CCC[C@H]1C[C@@H](C(=O)Nc2cccc(F)n2)CCO1	160543763	OIQVGQYNQYLCOE-QWRGUYRKSA-N	266.316	2.755	70	20	CFID	
C[C@@H]1CN(Cc2cnc3ccccn23)C[C@@H](C)S1	160814867	XHRXGPQSFMRVHM-VXGBXAGGSA-N	261.394	2.660	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccc(-n2cccn2)cc1	160805722	WVZFSEZCLKYDOQ-WMZOPIPTSA-N	297.402	2.967	70	20	CFID	
CC(C)C[C@H]1CCCCN1C(=O)C[C@H]1CCCN1	160876406	NJHVGIWKIBRFBG-ZIAGYGMSSA-N	252.402	2.556	70	20	CFID	
CCC(=O)CSc1nc2ccc(F)cc2c(=O)n1CC	159634077	PUGDNFSVPBRWGP-UHFFFAOYSA-N	294.351	2.627	70	20	CFID	
Cc1cc(NC(=O)c2ccc(O)nc2C)ccc1N(C)C	159723140	YELQFTVYLHVXFG-UHFFFAOYSA-N	285.347	2.722	70	20	CFID	
COC(=O)C1(N(C)Cc2ccc(F)cc2)CCCC1	159369065	UONRVYKYMWCXOE-UHFFFAOYSA-N	265.328	2.743	70	20	CFID	
CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCCO1	159833565	MBUGLDYYEUHVAK-HNNXBMFYSA-N	261.365	2.994	70	20	CFID	
C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccncc1	160949330	XDTGKMKZAKVMHK-MYPMTAMASA-N	260.381	2.936	70	20	CFID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1cncs1	161048616	KTZRRMJAVHPDAS-TUAOUCFPSA-N	253.415	2.667	70	20	CFID	
CCOc1ccccc1[C@H](F)CS(=O)(=O)Cl	1537958817	MYWDJEJJHHUCIT-SECBINFHSA-N	266.721	2.665	70	20	CFID	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)Nc1cccc(S(=O)(=O)F)c1	460091428	JZCMMMWOMBMTLB-NRUUGDAUSA-N	297.351	2.720	70	20	CFID	
Cc1ccc(NC(=O)CC2(C)CC2)cc1S(=O)(=O)F	857675567	SIIBHIWNJWRRPS-UHFFFAOYSA-N	285.340	2.782	70	20	CFID	
CCN(C(=O)c1ccc(S(=O)(=O)F)cc1C)C1CCC1	1121122862	UOXSYVAPWDBOSZ-UHFFFAOYSA-N	299.367	2.668	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(OC)cc1F	218104271	HEQWAEBPXSLKAS-ZJUUUORDSA-N	253.317	2.999	70	20	CFID	
Cc1cc([C@@H](C)NCC(=O)NC(C)C)cc(C)c1F	161002092	JILLFFXRIWBQFU-GFCCVEGCSA-N	266.360	2.618	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C(=O)OC)c1ccccc1	161071888	SBWODSVRMRHIDT-INIZCTEOSA-N	284.359	2.818	70	20	CFID	
Cc1ccsc1CCCC(=O)N1CCN(C(C)C)CC1	161110804	MEMDUVJMCIBGSD-UHFFFAOYSA-N	294.464	2.932	70	20	CFID	
CC(C)CONC(=O)Nc1cccnc1Br	161175337	CJTSFBYPAMWBKN-UHFFFAOYSA-N	288.145	2.553	70	20	CFID	
CCCCc1cc(NC(=O)C(=O)c2ccc(C)cc2)[nH]n1	160130916	ZYEFGDCBRVWZFZ-UHFFFAOYSA-N	285.347	2.882	70	20	CFID	
COCC(C)(C)C(=O)N[C@H](C)c1cc(C)ccc1OC	160187019	FUZREVXHKKLODV-GFCCVEGCSA-N	279.380	2.853	70	20	CFID	
CC(C)CONC(=O)Nc1cnn(-c2ccccc2)c1	160485965	XXBBZQWWSFQYQH-UHFFFAOYSA-N	274.324	2.581	70	20	CFID	
CC[C@@H](NC(=O)CC[C@@H]1CCCO1)c1c(C)noc1C	160595346	GCECGGUFYWOHIK-QWHCGFSZSA-N	280.368	2.818	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1ccc2c(c1)CCC(=O)N2C	159452095	AFCYSQDBPIMNJJ-ZDUSSCGKSA-N	298.390	2.683	70	20	CFID	
O=C(CCCn1cccc1)NCCCNc1ccccc1	159476176	BRLHIVXLGVCESD-UHFFFAOYSA-N	285.391	2.887	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(O)c1	159545195	HLWLYPVPOMFWCQ-HYVNUMGLSA-N	279.339	2.769	70	20	CFID	
O=C(Nc1cn[nH]c1)[C@H]1C[C@H]1c1ccccc1OC(F)F	159773207	MLNJRPWRQMXOSG-QWRGUYRKSA-N	293.273	2.753	70	20	CFID	
CC[C@H](N[C@@H](CCO)CSC)c1ccccc1OC	160375150	JRBRVYYUXKVODF-JSGCOSHPSA-N	283.437	2.850	70	20	CFID	
Cc1cc(NC(=O)c2ccncc2Br)sn1	159867117	KAJCNVPIUAIVOB-UHFFFAOYSA-N	298.165	2.861	70	20	CFID	
CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)F)cc1	864244412	VQTLBRNVSTXRKA-JTQLQIEISA-N	287.356	2.605	70	20	CFID	
CC[C@H](C(=O)NCC(C)(C)C(=O)OC)c1ccc(F)cc1	161014073	CVLVRWPEPCJIHW-ZDUSSCGKSA-N	295.354	2.635	70	20	CFID	
CCc1ncc(NC(=O)NCC2(C(C)C)CC2)cn1	161211809	OINZLQDJJHTVRE-UHFFFAOYSA-N	262.357	2.597	70	20	CFID	
CCOCCCCNC(=O)NCCc1c(C)cccc1C	161281163	DCYUXWOLULGZRR-UHFFFAOYSA-N	292.423	2.962	70	20	CFID	
CC(C)OC(=O)CCCNc1nc2ccccc2o1	160261737	HDCZGOXYCYWQMM-UHFFFAOYSA-N	262.309	2.972	70	20	CFID	
CCc1ccc(CNC(=O)N2CCO[C@@H](C)[C@@H]2C)s1	160473564	RGQOREMAYGOBRW-QWRGUYRKSA-N	282.409	2.629	70	20	CFID	
C[C@H]1SCCN(Cc2cnc3ccccn23)[C@@H]1C	160501517	CZQYNDZBWHTNCY-VXGBXAGGSA-N	261.394	2.660	70	20	CFID	
CCCC1(CNC(=O)c2ccc(-n3cncn3)c(C)c2)CC1	160753670	QDLVRWJESFJOLJ-UHFFFAOYSA-N	298.390	2.886	70	20	CFID	
Cn1ccnc1CN1CCn2cccc2[C@H]1c1ccccc1	160763460	VCQMFRNIZMTOMN-GOSISDBHSA-N	292.386	2.827	70	20	CFID	
CN(Cc1cccn1C)C(=O)C[C@@H]1OCCc2ccccc21	160818607	WEIYHLZWEKMDFL-KRWDZBQOSA-N	298.386	2.688	70	20	CFID	
O=C(NCCC1=CCCCC1)c1cccc(-n2ccnn2)c1	159607610	UFPOIGUCSXIFPA-UHFFFAOYSA-N	296.374	2.888	70	20	CFID	
Cc1cc(C)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)[nH]1	159839406	ADLPBFBYAQGUDT-SNVBAGLBSA-N	299.330	2.603	70	20	CFID	
C[C@H](CCn1cccn1)Nc1ccc2c(c1)NC(=O)CC2	159459347	YJUOEMPRTUSJIU-GFCCVEGCSA-N	284.363	2.659	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	159656080	BSZCNBYJAYNSES-LRDDRELGSA-N	297.358	2.816	70	20	CFID	
COc1ncccc1C(=O)NC1CCC(OC(C)C)CC1	159540639	QMNBKCSXDGQFEV-UHFFFAOYSA-N	292.379	2.556	70	20	CFID	
CCCCn1ncc(NC(=O)NCCC2CC2)c1C	159944344	FALOPWFHNSYOAD-UHFFFAOYSA-N	264.373	2.913	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H](C)OCC2CC2)cc1F	159363782	HDASDTCUTBRPGW-JTQLQIEISA-N	281.327	2.612	70	20	CFID	
C[C@]1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CCCc2ccccc21	159996168	CCYSRVUUYBUAGG-FCEWJHQRSA-N	298.430	2.634	70	20	CFID	
O=S(=O)(Cl)CCc1ccc(F)cc1Cl	106922714	RYABOOIWLWECRC-UHFFFAOYSA-N	257.113	2.590	70	20	CFID	
Cc1cc(CN2CC[C@@H](O)[C@H](C)C2)c2ccccc2n1	159398029	FRVRENSSHHKMOF-SJKOYZFVSA-N	270.376	2.746	70	20	CFID	
O=C(NCc1ccccc1F)c1ccnc(Cl)c1F	160924850	UMGFZUUBIPFFDE-UHFFFAOYSA-N	282.677	2.943	70	20	CFID	
c1cc(CNCCCOC[C@@H]2CCCO2)c2[nH]ccc2c1	218081711	GTEOVVMOIVIUMI-INIZCTEOSA-N	288.391	2.843	70	20	CFID	
Cc1ncc([C@H](C)N[C@H]2CCCSC2)c(C)n1	159562681	RCDLUEWKRDQYKV-JQWIXIFHSA-N	251.399	2.640	70	20	CFID	
CCOc1cccc(NC(=O)N(C)CC2(O)CCCC2)c1	161297503	ZFBRCSCLFDHFMZ-UHFFFAOYSA-N	292.379	2.854	70	20	CFID	
CCO[C@@H](CCNC(=O)CO[C@H](C)CC)C1CCCC1	160045859	AKQXYPBANCZEKA-HIFRSBDPSA-N	285.428	2.903	70	20	CFID	
O=C(c1cc2c(F)cccc2[nH]1)N(CCCCO)C1CC1	160201019	UXVOYRDMDAUOFO-UHFFFAOYSA-N	290.338	2.684	70	20	CFID	
CC(C)[C@H](O)C(C)(C)CNC(=O)NCC1(C2CC2)CCC1	160217996	AETIGZVKTVTJMS-AWEZNQCLSA-N	296.455	2.909	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC(=O)C[C@@H](C)c1ccncc1	160270473	KPJUGFFPFMNARQ-GFCCVEGCSA-N	297.358	2.621	70	20	CFID	
CC[C@@H](C)NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	160460794	GTBVZPXVCVFFEN-MRVPVSSYSA-N	291.317	2.519	70	20	CFID	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](C)CO	160495452	HYCPCYINYXFDMF-OCCSQVGLSA-N	292.423	2.810	70	20	CFID	
CC[C@H](N)C(=O)NCCc1cccc(-c2ccccc2)c1	160514531	DAEJIFLCOUNBCH-KRWDZBQOSA-N	282.387	2.750	70	20	CFID	
O=C([C@@H]1CCCNC1)N(Cc1ccc(F)cc1)CC1CC1	160910616	IRSNZVXAXMDLEF-OAHLLOKOSA-N	290.382	2.564	70	20	CFID	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CNCC2CC2)C1	159434374	IQLNWAGOJOJWKY-BLLLJJGKSA-N	290.382	2.735	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(-c2ccncc2)on1	159921963	QHQKOHFBVAUJQN-UHFFFAOYSA-N	283.331	2.657	70	20	CFID	
CCN[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CC	160124259	UMXDXRKUFFAIFP-HIFRSBDPSA-N	260.381	2.537	70	20	CFID	
CC1(C)C[C@H](Nc2nnc(C3CC3)s2)CCO1	160594366	SSNCERZEXHSCHQ-SECBINFHSA-N	253.371	2.785	70	20	CFID	
CCN(C(=O)c1cc2ccc(F)cc2s1)[C@H]1CCNC1	161202440	WKZZIYJUVHCWSL-LBPRGKRZSA-N	292.379	2.864	70	20	CFID	
COCCOc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218722143	APTAJRFSVFLOQX-GJZGRUSLSA-N	287.359	2.645	70	20	CFID	
Cc1ccc([C@@H](C)S(=O)(=O)Cl)cc1[N+](=O)[O-]	88251278	MEMCGOMKCMPCIW-SSDOTTSWSA-N	263.702	2.533	70	20	CFID	
CS[C@H](C)CC(=O)NCC(C)(C)N1CCC[C@@H](C)C1	160896197	RCCPKKNLYGDRRJ-CHWSQXEVSA-N	286.485	2.755	70	20	CFID	
Cc1ccc(CCCCC(=O)NC[C@H](C)CCO)cc1	161036681	VXKWKVXSQRVPIN-OAHLLOKOSA-N	277.408	2.843	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1cnn(C)c1	161060416	RLGUAZPINIDILP-GJZGRUSLSA-N	277.412	2.780	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2cc3cccc(F)c3o2)C1	161444979	IBEIRQRGUFUODV-GHMZBOCLSA-N	276.311	2.572	70	20	CFID	
CC(C)Sc1ccccc1C(=O)NCC(C)(C)N	160059142	RLTLLWJPBZZFKP-UHFFFAOYSA-N	266.410	2.654	70	20	CFID	
COc1cc(CNC(=O)N2CC[C@@H](C)[C@H](C)C2)ccc1O	160161264	GVVVBLFWKATZHM-VXGBXAGGSA-N	292.379	2.588	70	20	CFID	
Cc1cc(F)cc(NC(=O)c2cccc(-n3ccnn3)c2)c1	160587921	IAEKNYIZEDPCPA-UHFFFAOYSA-N	296.305	2.967	70	20	CFID	
CCOC[C@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1	160594726	KZOQVTCVCIOPJD-CABCVRRESA-N	290.407	2.850	70	20	CFID	
C[C@H](CO)SCCOc1cccc(Br)c1	160734095	YKKKWFHDWRBKTO-SECBINFHSA-N	291.210	2.942	70	20	CFID	
CCCOc1cccc(CC(=O)N[C@@H](CO)CC(C)C)c1	160795444	ZVYCKEBZAJHRNF-OAHLLOKOSA-N	293.407	2.541	70	20	CFID	
COC(=O)c1ccc(CNc2ccc(F)c(OC)c2)o1	160144873	XVOUKWLGKJWQHM-UHFFFAOYSA-N	279.267	2.826	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@H]([C@@H](C)O)C2)cc1	160934056	HNVIHCQVDGLBDD-ZBFHGGJFSA-N	275.392	2.661	70	20	CFID	
CCOc1ccc([C@H](F)CS(=O)(=O)Cl)cc1OC	1537959016	UIPADHIOTBZYFN-SECBINFHSA-N	296.747	2.673	70	20	CFID	
CC[C@H](O)CCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	218086126	SGCYRKYTMUOERP-MXWKQRLJSA-N	281.318	2.632	70	20	CFID	
NC(=O)c1cnccc1N[C@H]1CCCc2sccc21	161052738	LXQQDGFYYCMCMR-NSHDSACASA-N	273.361	2.732	70	20	CFID	
CS[C@H](C)CNc1ccc(C(F)(F)F)nn1	161056999	WUDDUFQXODOEQF-ZCFIWIBFSA-N	251.277	2.659	70	20	CFID	
COc1ccc(C)cc1CCNC(=O)c1cccc(F)n1	161073692	JJKBAWIVYQYGDD-UHFFFAOYSA-N	288.322	2.510	70	20	CFID	
COC[C@H](NC(=O)Nc1cc(C)cc(F)c1)C1CC1	161189845	JIEWFWDHEPLUSA-ZDUSSCGKSA-N	266.316	2.681	70	20	CFID	
CCC(CC)n1ncc(C(=O)NCc2cc(C)no2)c1C	161215744	ZQIPMQAMLDQXMC-UHFFFAOYSA-N	290.367	2.779	70	20	CFID	
CC(C)Cc1nnc(NC(=O)c2ccnn2C(C)C)s1	160019009	GKVSNGMRIFOZSW-UHFFFAOYSA-N	293.396	2.766	70	20	CFID	
CCCn1nccc1CN[C@H](Cn1ccnc1)C(C)(C)C	160085386	YMXQIEUJTGWJPM-OAHLLOKOSA-N	289.427	2.694	70	20	CFID	
COc1ccc(N(C)C(=O)COCC2CC2)cc1Cl	160129916	HWYBQUWQRQMDKW-UHFFFAOYSA-N	283.755	2.738	70	20	CFID	
C[C@H](CO)N(C)C(=O)c1ccc(COc2ccccc2)cc1	160510149	AKVJASHHHNFDLF-CQSZACIVSA-N	299.370	2.718	70	20	CFID	
CCOC(=O)CCCNC(=O)[C@H]1C[C@H]1c1sccc1C	160667308	IMAUJZFIHFVYMJ-NEPJUHHUSA-N	295.404	2.620	70	20	CFID	
CCn1nccc1CN(C)Cc1ccc(OC)cc1OC	160834179	HEOHSOCTKRONCP-UHFFFAOYSA-N	289.379	2.552	70	20	CFID	
CC[C@H]1CN(C(=O)C[C@H](C)c2ccncc2)CCS1	160836994	VFYYLGKJJWRTAP-JSGCOSHPSA-N	278.421	2.929	70	20	CFID	
CN(C)C(=O)Nc1ccc(C(=O)N2CCCC2)c(Cl)c1	160979382	PVMIHLKOIRANBH-UHFFFAOYSA-N	295.770	2.670	70	20	CFID	
CCCOCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	159426521	RYSWXLMJGSKUOW-GOEBONIOSA-N	291.391	2.697	70	20	CFID	
CN1CCc2ccc(C(=O)Nc3cc(F)ccc3O)cc21	159428518	MSIRBJUVFIIIOC-UHFFFAOYSA-N	286.306	2.776	70	20	CFID	
c1cncc(CN2CCO[C@]3(CCc4ccccc43)C2)c1	159440201	NQYMFJYXZGURCB-GOSISDBHSA-N	280.371	2.756	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C12CCCCC2	159720506	ORZQRUDWZURPES-SOUVJXGZSA-N	295.423	2.800	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1cccnc1	159543719	YKXBWLIULHEUPZ-BZPMIXESSA-N	262.353	2.544	70	20	CFID	
C[C@@H](C1CC1)N(C)C(=O)c1cccc(NC(=O)N(C)C)c1	159742135	LPLRMYITMYRDBM-NSHDSACASA-N	289.379	2.651	70	20	CFID	
Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc(C)c1F	160489750	FOHFQIGZLAXCSU-RYUDHWBXSA-N	265.328	2.692	70	20	CFID	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCC(C)C	161088881	CGOIHKVLOVUXQI-OAHLLOKOSA-N	278.396	2.625	70	20	CFID	
Cc1cc(CS(=O)(=O)Cl)c2ccccc2n1	117917506	NPEXFBBNJDAFJL-UHFFFAOYSA-N	255.726	2.612	70	20	CFID	
COCC(C)(C)c1nc(-c2ccccc2OC)no1	161344299	KUPSUTXROIGDCR-UHFFFAOYSA-N	262.309	2.669	70	20	CFID	
C[C@@H](NCc1cc(F)cc(Cl)c1)C(=O)N1CCCCC1	160902411	SEUCZSFGCWGXHL-LLVKDONJSA-N	298.789	2.970	70	20	CFID	
Cc1ccc(NCc2nnc3n2CCCC3)cc1F	217317716	DDYKELAFALHFRW-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
CCCOc1ccc(CCC(=O)NC[C@H](C)CCO)cc1	161003202	BCALTZHJEVVIBX-CQSZACIVSA-N	293.407	2.543	70	20	CFID	
COc1cc(-c2noc([C@H]3CCC(=O)C[C@H]3C)n2)ccn1	161013066	IPCDARLLXFRHFY-SKDRFNHKSA-N	287.319	2.613	70	20	CFID	
CCc1ncc(NC(=O)N(C)Cc2ccsc2)cn1	161179228	NYYHSXGXPCJVJZ-UHFFFAOYSA-N	276.365	2.764	70	20	CFID	
CC(=O)NC1CCC(NCC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1	161369669	MKRDAUCISFWAAX-BKYIEACKSA-N	278.440	2.850	70	20	CFID	
O=C(Nc1cccc(C(=O)NC2CC2)c1)C1=CCCC1	160043680	HCRBHQCDMWGWSP-UHFFFAOYSA-N	270.332	2.628	70	20	CFID	
CC[C@H]1CCCCN1C(=O)NCCCC(=O)OC(C)C	160102741	AAYCBFDSTRQOOE-ZDUSSCGKSA-N	284.400	2.692	70	20	CFID	
C[C@@H]1CCC[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1	160214392	ZGJQEHDMERUBRH-VXGBXAGGSA-N	286.379	2.524	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCc2cccnc2-n2cccn2)C1	160278927	FWWHMACHIBOAMS-KGLIPLIRSA-N	298.390	2.710	70	20	CFID	
CCOC(=O)CNC(C)(C)c1ccc(Cl)cc1	160406302	SEFSHTAUWYCMAH-UHFFFAOYSA-N	255.745	2.728	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NC1(C(=O)OC)CCCCCC1	160880176	NUVISLUCQWILRF-SWLSCSKDSA-N	281.396	2.805	70	20	CFID	
CCOC(=O)c1ccc(CNC(=O)C[C@@H](C)SC)cc1	160960208	ZFWIXDNRADVRAD-LLVKDONJSA-N	295.404	2.621	70	20	CFID	
CC[C@H]1CN(C(=O)Nc2ccn(CCC(C)C)n2)CCO1	159847480	KLOOALPSLKWCJW-ZDUSSCGKSA-N	294.399	2.572	70	20	CFID	
CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@H](CN)C1CC1	159868277	FFKYQKBODGCEPU-CEOUIICOSA-N	278.783	2.549	70	20	CFID	
CO[C@H](CNC(=O)N1CCC2(CCC2)C1)c1ccccc1	159935095	NFAZPBXTOXMLHS-OAHLLOKOSA-N	288.391	2.960	70	20	CFID	
Cc1nc(COC(=O)CC[C@@H]2CCCO2)c(C)s1	159972072	HSKDELVXRAPULW-NSHDSACASA-N	269.366	2.762	70	20	CFID	
CCO[C@@H](C)c1nc(CN2CCCC[C@@H]2CO)cs1	159864282	WGTDTRZZXVBARY-WCQYABFASA-N	284.425	2.587	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)CCCC1CCCC1	161190782	FRMCKMAJDXFNCR-AWEZNQCLSA-N	255.402	2.870	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N[C@H]2CCc3[nH]ncc3C2)cc1	161346360	QTGDERMONREMLB-WFASDCNBSA-N	298.390	2.636	70	20	CFID	
CCC(CC)CN(CC)C(=O)[C@H](C(C)C)N1CCCC1=O	160209176	AVHDRLWGRWWCFN-INIZCTEOSA-N	296.455	2.918	70	20	CFID	
COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCCCO1	160217819	NKPWLOLRVLEVOA-WFASDCNBSA-N	277.364	2.750	70	20	CFID	
CCOCCCNC(C)(C)c1ccccc1OC	160552622	QBNHHBXQJPYVIH-UHFFFAOYSA-N	251.370	2.947	70	20	CFID	
C[C@H]1CC[C@H](CCC(=O)Nc2cccc(F)n2)O1	160717757	ONTYTMSRCROYJM-VHSXEESVSA-N	252.289	2.507	70	20	CFID	
CS[C@@H](C)CNC(=O)N[C@H](C)c1ncc(C)s1	159409331	WVJUHUKTGZPFEZ-IONNQARKSA-N	273.427	2.563	70	20	CFID	
CC(C)(C)c1ccc(=O)n(Cc2ccc(Cl)cn2)n1	159537477	JETDNWOWHPQJMQ-UHFFFAOYSA-N	277.755	2.638	70	20	CFID	
C[C@@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	160104396	QYJRQJPFYKSHML-CWRNSKLLSA-N	272.392	2.533	70	20	CFID	
COc1cc(NC(=O)CCNC(C)(C)C)ccc1F	160359098	QMNUHUVJLNUPEO-UHFFFAOYSA-N	268.332	2.551	70	20	CFID	
CCCNc1cc(NCC(C)(C)OCC)ncn1	159861857	YPYGPMBIGYGKJY-UHFFFAOYSA-N	252.362	2.526	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1ccccc1C(C)(C)C	160094828	HNXXDYRZYXLTMF-LBPRGKRZSA-N	263.381	2.875	70	20	CFID	
O=C([C@H]1C[C@@H]1C1CC1)N1CCc2c(F)cccc2C1	161016019	NMUHVVUNRHPMGW-KGLIPLIRSA-N	259.324	2.757	70	20	CFID	
CCOc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)c(C)c1	160147010	PLGZNWZVJNZGCV-ZDUSSCGKSA-N	299.374	2.791	70	20	CFID	
CSC[C@H](CCO)N[C@H]1c2ccccc2C[C@@H]1C	160236472	BYYRBPVKTXEXHP-CORIIIEPSA-N	265.422	2.624	70	20	CFID	
CC1(C)CN(C(=O)c2ccc(C(C)(C)C)s2)CCN1	159404353	OMXOSWMELGUXKG-UHFFFAOYSA-N	280.437	2.870	70	20	CFID	
C[C@H](C(=O)N1CCC[C@H](N2CCCC2)C1)c1ccsc1	159401504	TYXXHOMZEGNOSN-ZFWWWQNUSA-N	292.448	2.938	70	20	CFID	
CN(C)C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCCC(C)(C)C1	161056699	JTXPCKPTGXVRAI-KGLIPLIRSA-N	294.439	2.672	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1cccc(OC)c1OC	161070504	OLSQQVZEBVEKSO-LRDDRELGSA-N	277.364	2.756	70	20	CFID	
CCO[C@H]1C[C@@H](NC(=O)CC2(N)CCC2)C12CCCCC2	161182504	QVNMFQLHSJATKU-KGLIPLIRSA-N	294.439	2.502	70	20	CFID	
CCO[C@@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F	160058188	VHTRRJGJBMETCX-WPRPVWTQSA-N	277.242	2.653	70	20	CFID	
CC[C@H](C)N(C(=O)CCCC(=O)OC)[C@H](C)CC	160134607	UVLOUPRLYXWATF-TXEJJXNPSA-N	257.374	2.755	70	20	CFID	
CNC(=O)c1ccc(OC)c(NCc2occc2C)c1	160280939	TWYLGMMPSFCEPN-UHFFFAOYSA-N	274.320	2.568	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](c1ccccc1)C(C)C	160293809	PBKJIVUFGDIZCF-BBRMVZONSA-N	291.391	2.884	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)C1CCC1	160375257	UCDDVLNWLHOACZ-CYBMUJFWSA-N	251.370	2.785	70	20	CFID	
CSC[C@H](CCO)N[C@@H](C)c1ccc(C)cc1	160396850	AEIQYPQWJWNMJX-JSGCOSHPSA-N	253.411	2.760	70	20	CFID	
Cc1cc(S(=O)(=O)NC(=O)C2(C)CCCCC2)c(C)o1	159641412	VPYZCEDKVFAABE-UHFFFAOYSA-N	299.392	2.672	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)N(C)CC1CCOCC1	159926533	MORGBDWIBCFGTR-KGLIPLIRSA-N	268.401	2.633	70	20	CFID	
CC(C)COCC1(CS(=O)(=O)Cl)CCCC1	114474158	QTRJZXGQHFCBAC-UHFFFAOYSA-N	268.806	2.788	70	20	CFID	
Cc1ccccc1CN1CCC[C@H](c2nnc3n2CCC3)C1	161409581	AGYHCUCITJGUBI-INIZCTEOSA-N	296.418	2.912	70	20	CFID	
CCO[C@@H](CC)C(=O)N[C@@H]1CCc2c(OC)cccc21	160175641	DIRKZKWPWKDYJG-KGLIPLIRSA-N	277.364	2.614	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)CC(C)C	160228903	MMVCXXRRUPRANX-VXGBXAGGSA-N	257.374	2.517	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ncccc1F	160234824	PFHUWQYPRYYDKK-PWSUYJOCSA-N	265.332	2.599	70	20	CFID	
CCn1cc(NC(=O)c2cc(F)cc3cccnc23)cn1	160278119	OKYMZLAKBGGYPI-UHFFFAOYSA-N	284.294	2.843	70	20	CFID	
CC(C)N(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	160380178	XCBZKZPTLOSQNC-ZBFHGGJFSA-N	289.423	2.699	70	20	CFID	
CCc1nc(C[S@](=O)c2ncc(C(C)(C)C)s2)no1	160449991	UYSAMHZWZMGSBG-LJQANCHMSA-N	299.421	2.694	70	20	CFID	
CC[C@H](NC(=O)[C@H](C)C1CC1)c1c(C)noc1C	160614622	GLEWRZPELKVBEJ-PELKAZGASA-N	250.342	2.905	70	20	CFID	
CC[C@H](C)OCC(=O)N1C[C@H](C)Oc2cc(C)ccc21	160744270	ZWPWQCVHMLLBOL-STQMWFEESA-N	277.364	2.924	70	20	CFID	
CC[C@@H](C)OCC(=O)N1C[C@@H](C)Oc2cc(C)ccc21	160744388	ZWPWQCVHMLLBOL-CHWSQXEVSA-N	277.364	2.924	70	20	CFID	
CC[C@H](NCC(=O)Nc1cccnc1)c1ccc(F)cc1	160862368	AKWRIJWZARJEJG-HNNXBMFYSA-N	287.338	2.900	70	20	CFID	
C[C@@H]1CCC[C@@H](CNC(=O)CNC(=O)CC2CCCC2)C1	160981862	AOCLKJIQNQFLBX-UKRRQHHQSA-N	294.439	2.625	70	20	CFID	
CC(C)Cn1cc(NC(=O)N(C)CCC2CC2)cn1	159403837	NCSXRFCWEKLZJA-UHFFFAOYSA-N	264.373	2.803	70	20	CFID	
C/C=C(\C=C\C(=O)N[C@H](C)c1nnc2ccccn12)CC	159808233	XFFJOFHXGQZYKH-KUQBVKFVSA-N	284.363	2.819	70	20	CFID	
O=C(NCC1CC1)[C@H]1C[C@@H]1c1cccc(F)c1F	159642775	PAEJUQUQWJSKFC-MNOVXSKESA-N	251.276	2.595	70	20	CFID	
CC(C)N(C(=O)c1cccc2[nH]cnc12)C1CCC1	159651378	BJFQBGPLSXHOKP-UHFFFAOYSA-N	257.337	2.966	70	20	CFID	
Cc1cccc([C@H](C)C(=O)NCC2(N)CCCCC2)c1	159477467	YHNOMKCIQINRQG-AWEZNQCLSA-N	274.408	2.876	70	20	CFID	
c1ccc2c(c1)CCN(CCCN1CCCCC1)CC2	161139683	VAMGKVUDEGWCPI-UHFFFAOYSA-N	272.436	2.963	70	20	CFID	
C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@@H]1N	161213903	DBWZRCSZXSAZRT-SKDRFNHKSA-N	292.379	2.850	70	20	CFID	
CC(C)(C)C[C@@H](CO)Nc1nnc(C2CC2)s1	161407004	ZAQBQXAQFMPSAQ-VIFPVBQESA-N	255.387	2.625	70	20	CFID	
CCN(CC)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	159848588	MMDAROKOPLTGSQ-GDBMZVCRSA-N	289.423	2.701	70	20	CFID	
C[C@@H](CC1CCCC1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160232939	WPKBAKGRBWFQHP-AEGPPILISA-N	264.413	2.556	70	20	CFID	
CC1(C)CCC(CC(=O)NC[C@@H]2CCOC2)CC1	161111726	CGIWJJCPGTYXCK-ZDUSSCGKSA-N	253.386	2.746	70	20	CFID	
CCNC(=O)C(C)(C)CNc1ccnc(-c2ccccc2)n1	161345186	RTCURJNREKSHQV-UHFFFAOYSA-N	298.390	2.718	70	20	CFID	
Cc1cc(C)c(C(=O)NCC(C)(C)C2CCCC2)c(=O)[nH]1	160008412	MCZOWMGJRQNWJE-UHFFFAOYSA-N	290.407	2.938	70	20	CFID	
COC(=O)C1(C(=O)O[C@@H](C)c2cc(C)ccc2OC)CC1	160167193	PLZQMMAVUSGEEF-NSHDSACASA-N	292.331	2.561	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)Cc1cccc2ccccc12	160453360	DWDBLMCPVVGJFZ-ZDUSSCGKSA-N	299.370	2.840	70	20	CFID	
CC[C@@H](CC(=O)N(C)CC(C)(C)O)c1ccc(OC)cc1	159632372	TXYDDJOODRXUNN-ZDUSSCGKSA-N	293.407	2.808	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCc2nccs2)n1	159635436	XVJTVGXJQCGQCY-UHFFFAOYSA-N	293.396	2.707	70	20	CFID	
C[C@]1(NC(=O)Nc2ccccc2N2CCCC2)CCOC1	159670669	WQVACJDGNZYINF-INIZCTEOSA-N	289.379	2.587	70	20	CFID	
C[C@@H](OC1CCCCCC1)C(=O)NCC(C)(C)CN(C)C	159580895	PBEDZTFVXYPLCG-CQSZACIVSA-N	298.471	2.818	70	20	CFID	
CCC(CC)NC(=O)NCCc1ccccc1F	217305027	DYOHOGRGKUFMNP-UHFFFAOYSA-N	252.333	2.856	70	20	CFID	
CC[C@@H](COCCC(C)C)CS(=O)(=O)Cl	114472615	BZDRPFALLRMUTF-JTQLQIEISA-N	256.795	2.644	70	20	CFID	
C[C@@H]1CCN(C(=O)C[C@@H]2CCCN2)[C@@H]2CCCC[C@@H]12	217957105	QIDSNEQSMBUOGU-CBBWQLFWSA-N	264.413	2.556	70	20	CFID	
COCCOCCCCNCc1cccc2cc[nH]c12	218171418	NEHJFWVRERUDAL-UHFFFAOYSA-N	276.380	2.701	70	20	CFID	
CC[C@H](O)CNC(=O)c1ccc(OCc2ccccc2)cc1	217047924	ZZOFDJRYUAQPOU-INIZCTEOSA-N	299.370	2.766	70	20	CFID	
CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1	161147731	RIDNHLOQRKQUOU-SECBINFHSA-N	282.365	2.799	70	20	CFID	
C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)C1CC1	161419396	MSQGNRWTZAKCDJ-RYUDHWBXSA-N	296.411	2.500	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccn(C)n1	160073864	CXJJZPRQFGHVOC-VHSXEESVSA-N	261.350	2.532	70	20	CFID	
CC(C)Oc1ccc(CN[C@@H](C)C2CCN(C)CC2)cn1	160106044	LYGPKICVIVQRFO-AWEZNQCLSA-N	291.439	2.689	70	20	CFID	
CC1=C(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CCCO1	160142418	MUNQTIDCAJWYHA-CYBMUJFWSA-N	279.380	2.679	70	20	CFID	
CC(C)c1ccc(C(=O)NC[C@@H]2CSCCS2)cn1	160149114	HFIPSPGCYYHKFP-GFCCVEGCSA-N	296.461	2.783	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)c1ccccc1C	160325187	WYEICDJUIAFQMY-KBPBESRZSA-N	291.391	2.947	70	20	CFID	
C[C@@H](C1CC1)N(C)C(=O)Nc1ccn(CC(F)(F)F)n1	160420831	QMDODZKMCQULEH-QMMMGPOBSA-N	290.289	2.708	70	20	CFID	
CC(C)[C@H](C)NCc1ccccc1CN1CCOCC1	160441085	YWVPWLISUCRKSA-HNNXBMFYSA-N	276.424	2.653	70	20	CFID	
CCC[C@H](C)[C@H](CC)N[C@@H]1CCc2nc(C)nn2C1	160469260	UMEGXYUYRPPMQN-YUTCNCBUSA-N	264.417	2.706	70	20	CFID	
CCCN(CCN(CC)CC)C(=O)Nc1cc(C)on1	160546159	ZNVIATSKUFWRPS-UHFFFAOYSA-N	282.388	2.569	70	20	CFID	
C[C@H]1CN(C(=O)[C@@H](C)c2c(F)cccc2F)C[C@@H](C)O1	160491381	PCAQFKDEFUQCLH-AXFHLTTASA-N	283.318	2.704	70	20	CFID	
O=C(C[C@H]1CCCN1)Nc1ccc(F)cc1OCC1CC1	160679357	OCMQOKHLWPZLDA-CYBMUJFWSA-N	292.354	2.695	70	20	CFID	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)C[C@@H](C)O	159496663	YAMKTZQVNBNKQD-MGPQQGTHSA-N	292.423	2.840	70	20	CFID	
Cc1nc(-c2cccc(NC(=O)NC3CC=CC3)c2)n[nH]1	159898229	LDAIBJUYERHVHJ-UHFFFAOYSA-N	283.335	2.620	70	20	CFID	
CCN1CCCN(C(=O)N[C@H](C)CCCC(C)C)CC1	159510738	RGKITKSMTOIPRJ-OAHLLOKOSA-N	283.460	2.938	70	20	CFID	
Cc1nc(COC(=O)c2ccc(N(C)C)nc2)c(C)s1	159967072	NMDIONJOQCPMDS-UHFFFAOYSA-N	291.376	2.578	70	20	CFID	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1N	159799767	BLMRXYJIVDZQKJ-ZCDTZLGTSA-N	290.382	2.658	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(CCC(=O)OC)C(C)C)o1	159991447	WPLCCPDSAWSLAT-CMDGGOBGSA-N	293.363	2.655	70	20	CFID	
CC(C)OC1CCC(NS(=O)(=O)c2ccccc2)CC1	159425641	LOBOUPABZGRVLT-UHFFFAOYSA-N	297.420	2.701	70	20	CFID	
COCCn1cc(NCc2cc(F)cc(Cl)c2)cn1	160871031	BUNIIBMXFGDPHW-UHFFFAOYSA-N	283.734	2.934	70	20	CFID	
CC1(O)CCN(Cc2csc(-c3ccccn3)n2)CC1	161223288	FSRHDWABOJLTFF-UHFFFAOYSA-N	289.404	2.552	70	20	CFID	
Cc1nc(C2(NCc3ccccc3)CCCC2)no1	161366145	VIYDNXLKJMZWGP-UHFFFAOYSA-N	257.337	2.937	70	20	CFID	
C[C@H](COC1CCCCCC1)CS(=O)(=O)Cl	112159877	REXZDGNJSXEWNS-SNVBAGLBSA-N	268.806	2.931	70	20	CFID	
COc1cccc([C@H]2CCCN2CCCCCO)c1	160959156	PQAVPTZPYQVYQN-MRXNPFEDSA-N	263.381	2.995	70	20	CFID	
CCO[C@@H]1CCCN(C[C@@H](O)c2ccc(C)cc2)C1	216982433	SZYZNSCKTSSJJB-HZPDHXFCSA-N	263.381	2.529	70	20	CFID	
CO[C@]1(C)C[C@H](NC(=O)Nc2ccc(C)nc2)C1(C)C	161428688	VMQUMWFBGXFMGT-SWLSCSKDSA-N	277.368	2.715	70	20	CFID	
COC[C@H](C)SCCC(=O)N(C)c1ccccc1	160140587	SATYLUHKVNXNSM-LBPRGKRZSA-N	267.394	2.808	70	20	CFID	
CCC(=O)Nc1cccc(C(=O)NCC2(C3CC3)CC2)c1	160205921	JQQWSUITFRHYFP-UHFFFAOYSA-N	286.375	2.955	70	20	CFID	
CNC(=O)c1cccc(NC(=O)N[C@H](C)C2CCC2)c1C	160491443	ITSAXSKOJUSKMG-LLVKDONJSA-N	289.379	2.665	70	20	CFID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1nccs1	160518937	IPZYVIFFPYWYGZ-QWRGUYRKSA-N	269.414	2.838	70	20	CFID	
CC[C@@H]1CN(Cc2cnc3ccccn23)CCS1	160882913	SWFMFDSHDCUKQK-CYBMUJFWSA-N	261.394	2.662	70	20	CFID	
CCSc1ccccc1[C@@H](C)NCC(=O)NC(C)C	160936946	GBVHYOXSHVSSFL-GFCCVEGCSA-N	280.437	2.974	70	20	CFID	
CCCC[C@H]1CCC[C@H]1NC(=O)NCc1cnn(C)c1C	160997521	QNQXVQOUCSJZBM-DZGCQCFKSA-N	292.427	2.887	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCSc2ccccc21	159804695	WEAHRQNZXXWCQL-LBPRGKRZSA-N	263.362	2.694	70	20	CFID	
CCc1nc(C(=O)NC[C@@H](C)c2ncc(C)s2)co1	159848626	RALRCYSVXINLNA-MRVPVSSYSA-N	279.365	2.535	70	20	CFID	
Cc1nccc(NC(=O)N2CCC(C)(CO)CC2)c1Cl	159685517	VUEOJAUDOQXCSQ-UHFFFAOYSA-N	297.786	2.670	70	20	CFID	
CSc1ccc(OCCN(C)C[C@@H]2CCC[C@@H]2O)cc1	159540317	VBQIVEABFXYPEV-BBRMVZONSA-N	295.448	2.880	70	20	CFID	
CC(C)C[C@@H](C)OCCC(=O)N[C@H](CO)CC(C)(C)C	159943459	MUKNWHLJBXFMAF-KGLIPLIRSA-N	287.444	2.741	70	20	CFID	
CC[C@H](c1ccc(Cl)cc1)N(C)CC(C)(CO)CO	159575366	MEUDHODBVZFVHM-CQSZACIVSA-N	285.815	2.714	70	20	CFID	
CC(C)CCCOC[C@@H](C)CS(=O)(=O)Cl	112159654	MHDPLCAQQUDASJ-SNVBAGLBSA-N	256.795	2.644	70	20	CFID	
CC1CCC(CN(C)C[C@@H](O)C(F)(F)F)CC1	159558588	VUNDZZOOQLXZHL-VQXHTEKXSA-N	253.308	2.668	70	20	CFID	
FCCCN[C@@H]1CCCN(Cc2ccccc2)C1	161028876	BOTTVTUOBFSPRK-OAHLLOKOSA-N	250.361	2.600	70	20	CFID	
NCCCCNCc1ccc(Br)cc1Cl	161022038	IYOXJPCBVQHNFA-UHFFFAOYSA-N	291.620	2.931	70	20	CFID	
COC(=O)c1ccc(NC[C@@H]2CCC[C@H](C)C2)nn1	217931408	KLGYRWBAONYUBP-WDEREUQCSA-N	263.341	2.501	70	20	CFID	
C[C@H](CCO)CNC(=O)CCCOc1ccccc1Cl	161036958	RPIPMPJYPNWRKP-GFCCVEGCSA-N	299.798	2.634	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1	161102503	NVIQOLQYJGGHNA-CQSZACIVSA-N	283.375	2.931	70	20	CFID	
CCC(CC)(CN)C(=O)NCc1cc(Cl)ccc1OC	161185882	LUSNXBBZCYBFIB-UHFFFAOYSA-N	298.814	2.730	70	20	CFID	
CC(C)(C)c1nsc(N(C[C@H]2CCOC2)C2CC2)n1	160358957	CKVVNVSNORGWHY-SNVBAGLBSA-N	281.425	2.841	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cnc(C(C)(C)C)s1	160442195	SMDBACIXDNDRBH-VIFPVBQESA-N	298.408	2.512	70	20	CFID	
c1ccc2c(c1)CCN(Cc1cnc3ccccn13)CC2	160471433	HRQHAJVHGMLHSI-UHFFFAOYSA-N	277.371	2.935	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCC(=O)c1cccs1	160591880	BDHNUUKSULSPDH-UHFFFAOYSA-N	290.388	2.708	70	20	CFID	
CC(C)NC(=O)CN[C@@H]1CC2(CCC2)Oc2ccccc21	160972662	XHKLWIYFVJXLEK-CQSZACIVSA-N	288.391	2.547	70	20	CFID	
CN1CCC[C@H](CNC(=O)N2CCC3(CCCC3)CC2)C1	159457426	SNFBKQLMSCBNPL-OAHLLOKOSA-N	293.455	2.694	70	20	CFID	
CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1sccc1C	159907813	IULSHZLAZQHTBV-HZSPNIEDSA-N	292.448	2.761	70	20	CFID	
CCC(C)(C)NC(=O)[C@H](C)n1cnc2ccccc21	161009864	XIOQRPXHYKKGGZ-NSHDSACASA-N	259.353	2.902	70	20	CFID	
C[C@H](Cn1cccn1)NCc1cccc2cc[nH]c12	218102646	QZQOMBWDUISCRO-GFCCVEGCSA-N	254.337	2.543	70	20	CFID	
C[C@@H]1CN(C(=O)C[C@@H]2CCCN2)CC[C@@H]1c1ccccc1	161238431	MIDBQFGZZSUJHY-PVAVHDDUSA-N	286.419	2.781	70	20	CFID	
CCC(CC)(CN)C(=O)Nc1ncc(C(C)C)s1	161243422	QPHRNBMQBYLUTC-UHFFFAOYSA-N	269.414	2.970	70	20	CFID	
CN(CCC1CCOCC1)C(=O)NCc1ccccc1	161503813	NIBYHLFDOKQGBZ-UHFFFAOYSA-N	276.380	2.645	70	20	CFID	
O=C1CCCc2cc(NC(=O)NC3CC=CC3)ccc2N1	160052533	XEOPTKFTLBDARY-UHFFFAOYSA-N	285.347	2.802	70	20	CFID	
Cc1cc2cc(C(=O)N3CCC[C@H]3CN)oc2cc1C	160151403	ZFWPYKONVLDEHU-ZDUSSCGKSA-N	272.348	2.613	70	20	CFID	
Cn1c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cccc1=O	160273374	JWTBAJVUUWUTQX-INIZCTEOSA-N	298.386	2.903	70	20	CFID	
c1ccc2[nH]c(N[C@@H]3CCO[C@@H](C4CC4)C3)nc2c1	160397474	WOWSMURIMUPWTA-BXUZGUMPSA-N	257.337	2.932	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2c(s1)CCCC2	160481833	RMKFHPNBVZXFIW-JTQLQIEISA-N	295.404	2.698	70	20	CFID	
CS[C@@H](C)CC(=O)N1CCCN(c2ccccc2)CC1	160573733	XKEZELGKENVGIH-AWEZNQCLSA-N	292.448	2.867	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)CC1CCCC1	160709302	KRPOHBAIIXDYCK-VXGBXAGGSA-N	269.385	2.661	70	20	CFID	
CC(C)Cc1nc(C(=O)N(C)Cc2cccn2C)cs1	160709705	NNVNZENSLSNDLB-UHFFFAOYSA-N	291.420	2.952	70	20	CFID	
O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCSCC1	160815447	NEFQOVMXNROSNN-WDEREUQCSA-N	283.343	2.644	70	20	CFID	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)C(C)(C)C	159803086	FRONBGOBJUXJHC-UXIGCNINSA-N	292.398	2.904	70	20	CFID	
CC(C)[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1	159813084	NOQQKEZABVNVPM-TZMCWYRMSA-N	280.799	2.639	70	20	CFID	
CCOc1cccc(NC(=O)NCCc2cscn2)c1	159447654	MMSYCMPYSRHZGL-UHFFFAOYSA-N	291.376	2.906	70	20	CFID	
CSCC[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159724497	LDNIMBRCQPPYDU-KFWWJZLASA-N	292.448	2.519	70	20	CFID	
CC1(C)CC(NC2CCN(CC3CC3)CC2)CC(C)(C)N1	159598522	PDUGWLXCKNARHH-UHFFFAOYSA-N	293.499	2.760	70	20	CFID	
CCN(CCNC(=O)[C@H]1CCCCO1)c1cccc(C)c1	159998741	FODGYLGHINHRRD-MRXNPFEDSA-N	290.407	2.507	70	20	CFID	
CN(Cc1ccc(C(F)(F)F)cc1)[C@H](CN)C1CC1	159659877	JMZQAZHMBGNOKB-CYBMUJFWSA-N	272.314	2.875	70	20	CFID	
Cc1ccc(N)c(C(=O)OC[C@@H]2CCC(C)(C)O2)c1	160788941	RFPZDSVOAQOALT-NSHDSACASA-N	263.337	2.692	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)CSc2ccccc2Cl)C1	161373578	XDALUXLJXKVPKX-QWRGUYRKSA-N	298.839	2.818	70	20	CFID	
COc1ccsc1C(=O)NCC1(C2CC2)CC1	159793866	SSNIAWSHELLSLS-UHFFFAOYSA-N	251.351	2.677	70	20	CFID	
CC(C)(C)NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161050258	CVDSKXZOBJUILE-MELADBBJSA-N	258.365	2.813	70	20	CFID	
CC[C@H](C)[C@H](NC(=O)c1cnc(C(C)C)s1)C(=O)OC	161051232	FDFBIBUOWCWXJM-ONGXEEELSA-N	298.408	2.584	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)N[C@H](C)C2CCC2)cc1	161212632	QAMJSSPEBWTVGY-LLVKDONJSA-N	289.379	2.746	70	20	CFID	
C[C@@](CO)(NCCCN1CCCCC1)C1CCCCC1	161214058	PGBKWIODFKSKBH-KRWDZBQOSA-N	282.472	2.783	70	20	CFID	
CC(=O)NC1CCC(NCCCOC2CCCCC2)CC1	161235192	NHMCUSPYNSGOEC-UHFFFAOYSA-N	296.455	2.763	70	20	CFID	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cscn1	161261291	QYSUQUKOIBQHKR-SECBINFHSA-N	292.335	2.674	70	20	CFID	
CCCSCC(=O)N[C@@H]1CCOC2(CCCC2)C1	160169820	MQBKCKQUZOTOQD-GFCCVEGCSA-N	271.426	2.738	70	20	CFID	
COC(=O)c1csc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c1	160704562	ACLILMHADXMERY-NXEZZACHSA-N	294.376	2.799	70	20	CFID	
C[C@H](c1ccc(F)c(F)c1)N(C)Cc1nccn1C	160743986	LEURIABINGUIFK-SNVBAGLBSA-N	265.307	2.891	70	20	CFID	
Cn1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3C2)n1	160763755	BNCYBDBXTSKLIE-XQQFMLRXSA-N	261.369	2.965	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CC1CCCCCC1	160766408	FOMQMQRZPIZWHH-GFCCVEGCSA-N	269.385	2.805	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cscn1	160973390	NEMBXILJXLHZEA-LLVKDONJSA-N	280.393	2.755	70	20	CFID	
C[C@@H](NC[C@@H](C)N1CCc2ccccc2C1)c1cnn(C)c1	159809355	DWCYNWDWOZWLKH-HUUCEWRRSA-N	298.434	2.518	70	20	CFID	
Cc1ncc([C@H](C)NCc2cn3ccccc3n2)c(C)n1	159414815	SDPPVPXXYRLCHD-NSHDSACASA-N	281.363	2.592	70	20	CFID	
C[C@H](C(=O)N(C)C[C@@H]1CCCOC1)c1cccs1	159447699	QUESYHIHOUVZHI-RYUDHWBXSA-N	267.394	2.737	70	20	CFID	
CCOCC(=O)N1C[C@H](C)CSc2ccccc21	159646084	UIENUJSPZWITLA-NSHDSACASA-N	265.378	2.798	70	20	CFID	
Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CSCN1	159691356	PFFNCQNJYZALJK-LSDHHAIUSA-N	292.448	2.861	70	20	CFID	
CCCn1nccc1CNCc1cccc(OCC)c1	160090679	YCSRYWFORICDMK-UHFFFAOYSA-N	273.380	2.982	70	20	CFID	
CC[C@H]1CO[C@@H](C)CN1C[C@@H](O)c1cc2ccccc2o1	216972046	RSZWYTFDHSCRNK-AEGPPILISA-N	289.375	2.966	70	20	CFID	
NC[C@H]1CCCN1C(=O)CSCc1ccc(Cl)cc1	160273206	CAUAUSSINMPTJZ-CYBMUJFWSA-N	298.839	2.523	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cc(C)ccc1OC	217398405	FZUCADXDUSBFRY-AWEZNQCLSA-N	264.413	2.824	70	20	CFID	
CCc1ccc(/C=C/C(=O)NC[C@@H](C)SC)o1	161337226	XMFNZKWZXYHCEP-QROSGCPLSA-N	253.367	2.723	70	20	CFID	
CC1=C(C(=O)NC[C@@H]2[C@H]3c4ccccc4C[C@@H]23)CCCO1	160026564	SGMLOPBWHBXYAK-ULQDDVLXSA-N	283.371	2.773	70	20	CFID	
CC(C)Cc1ccc(CCC(=O)N(C)C[C@H](C)O)cc1	160093024	LJSCDHAEVMTNEI-AWEZNQCLSA-N	277.408	2.657	70	20	CFID	
CC(C)(C)NC(=O)c1cccc(NCc2ncc[nH]2)c1	160206195	HTNCIIQCWUCRCS-UHFFFAOYSA-N	272.352	2.550	70	20	CFID	
COCCCn1ccc(NC(=O)c2cccn2C(C)C)n1	160402717	IRMIPHWTHZXFRA-UHFFFAOYSA-N	290.367	2.554	70	20	CFID	
CCc1cccc(C)c1NC(=O)c1cccc(=O)n1C	160638451	KMPKULHMLPXUFQ-UHFFFAOYSA-N	270.332	2.508	70	20	CFID	
CCc1ccccc1C(=O)N(C)Cc1ccncc1	160817792	XGFANNDZFUOMMO-UHFFFAOYSA-N	254.333	2.916	70	20	CFID	
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(F)n1	160898523	HIDGLVYNNWHMTF-UHFFFAOYSA-N	298.268	2.610	70	20	CFID	
C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCCCO1	160986221	LAGHSUXBUVRIFZ-FZMZJTMJSA-N	265.328	2.914	70	20	CFID	
Cc1[nH]ncc1CCCNCc1cccc2c1NCCC2	159403356	ZEBUYWNQCNILDI-UHFFFAOYSA-N	284.407	2.799	70	20	CFID	
C[C@H](CCn1cccn1)Nc1ccc(NC(=O)C2CC2)nc1	159480684	BJLMVAVYWPCRTJ-GFCCVEGCSA-N	299.378	2.517	70	20	CFID	
COc1ccc(C(F)(F)C(=O)N[C@@H](C)C2CC2)cc1	159704513	JTXADBMPQYMKHI-VIFPVBQESA-N	269.291	2.702	70	20	CFID	
CCc1noc(C)c1CS[C@@H]1CCN(C(C)C)C1=O	159991324	MBZUJECPIYNVSV-CYBMUJFWSA-N	282.409	2.788	70	20	CFID	
CCOC(C)(C)CNCc1cn2cc(Cl)ccc2n1	159382235	OQZYSNOHUFWNLV-UHFFFAOYSA-N	281.787	2.892	70	20	CFID	
CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F	159534225	NITTZVMLKRPZSJ-QWRGUYRKSA-N	284.350	2.872	70	20	CFID	
CC1(C)C[C@H](N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CCO1	159948594	OCLNWRJTYKXCDW-RQJABVFESA-N	267.413	2.737	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)c1cccnc1	160178450	BEUHNWTWBBCMHK-GFCCVEGCSA-N	258.346	2.951	70	20	CFID	
CCC(N)(CC)CNC(=O)c1csc(CC(C)C)n1	160514508	NYUWHTUJLDXTOQ-UHFFFAOYSA-N	283.441	2.589	70	20	CFID	
COCCC1(CNC(=O)N(C)[C@@H](C)CCSC)CC1	161098527	IWZGPGOEMDWPLB-LBPRGKRZSA-N	288.457	2.586	70	20	CFID	
Cc1ncc([C@H](C)NCCc2ccc3c(c2)OCO3)c(C)n1	161124238	RBPMUWCHBJBLBR-NSHDSACASA-N	299.374	2.715	70	20	CFID	
COC[C@H](NCC1(c2ccc(F)cc2)CC1)C1CC1	161383035	JZWQAASGSSOAFU-HNNXBMFYSA-N	263.356	2.872	70	20	CFID	
C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1CC[C@H](O)CC1	161462520	GDDPJWCBXUUPIX-FPMFFAJLSA-N	295.810	2.938	70	20	CFID	
CC[C@@H](C(=O)N[C@H](C)[C@@H]1CCOC1)c1ccc(F)cc1	160480581	ZSACHGJEUSTQCQ-UXIGCNINSA-N	279.355	2.861	70	20	CFID	
C[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(Cl)cc1	159836988	SGUUOVRWVVHBCE-IAQYHMDHSA-N	296.798	2.957	70	20	CFID	
CCCN1CCN(Cc2c[nH]nc2-c2ccccc2)CC1	159667315	BHRIBSYIFOVNHK-UHFFFAOYSA-N	284.407	2.604	70	20	CFID	
CCOc1ccc(NC(=O)C(C)(C)COC)cc1OC	159520160	LOXPMTQECPBBHD-UHFFFAOYSA-N	281.352	2.705	70	20	CFID	
COc1ccccc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159530483	SKDRELNUAVOTGY-ZDUSSCGKSA-N	289.375	2.917	70	20	CFID	
CC[C@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)OC	159491667	GTNSEWWCJJHCEJ-SKDRFNHKSA-N	287.306	2.890	70	20	CFID	
CCCn1nccc1CNCCCN1CCC(C)CC1	159986306	QQDRZUSPIUYMBX-UHFFFAOYSA-N	278.444	2.505	70	20	CFID	
CC[C@H](CCO)NC(=O)c1oc2ccc(F)cc2c1C	160116784	ZZJKAOFJLXDSJU-LLVKDONJSA-N	279.311	2.771	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H](C)c1ccc(F)cc1F	159974752	SJUBSMYMJRBACU-NSHDSACASA-N	284.350	2.778	70	20	CFID	
CC[C@H](C)OCC[C@H](C)CCS(=O)(=O)Cl	114640351	LGDAIGWCFDFVPQ-UWVGGRQHSA-N	256.795	2.786	70	20	CFID	
c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CCN2CCCC[C@@H]12	217739109	OAKIMWVKCOQFNH-PMPSAXMXSA-N	271.408	2.675	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)C[C@H](C)c1cccc(F)c1	161236683	CVZCJKATPCTSRH-WFASDCNBSA-N	278.371	2.530	70	20	CFID	
CCc1noc(C)c1CSCC(=O)NCc1ccco1	160045709	ZVQDKAZFVLKAFR-UHFFFAOYSA-N	294.376	2.688	70	20	CFID	
CCc1nc(CN2CCc3ccc(Cl)cc3C2)n[nH]1	160168754	RQLBPMUINYYDER-UHFFFAOYSA-N	276.771	2.579	70	20	CFID	
NCCC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1	160202684	GYWWWVQGPHYQEQ-UHFFFAOYSA-N	290.451	2.646	70	20	CFID	
CN(CCOc1cccc(Cl)c1)C(=O)[C@@H]1CCCCO1	160285076	TZUILMBIKZHQPQ-AWEZNQCLSA-N	297.782	2.746	70	20	CFID	
CCc1nc(CN[C@@H](C)c2ccc(OC(F)F)cc2)n[nH]1	160310084	OJTYOKFSSLJLIN-VIFPVBQESA-N	296.321	2.819	70	20	CFID	
COc1ccc(CCCC(=O)N[C@H](CCO)C(C)C)cc1	160484533	IQQQSDXPSMSFEM-MRXNPFEDSA-N	293.407	2.541	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1	160484993	XQQUXFMAKZRKAJ-LLVKDONJSA-N	294.420	2.905	70	20	CFID	
CC(C)[C@@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1	160625397	WQARAVSITYZTDG-HOTGVXAUSA-N	293.455	2.691	70	20	CFID	
Cc1noc(C)c1[C@H](C)CNC(=O)Nc1cccnc1	160820119	HWRORSJJCFITRV-SECBINFHSA-N	274.324	2.612	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccoc1	160875166	GKLMHGWWGXMIFW-CYBMUJFWSA-N	263.337	2.891	70	20	CFID	
Cc1cc(F)c(C(=O)NCC(F)(F)F)cc1F	160896929	DRTQXPSKNVEWTM-UHFFFAOYSA-N	253.170	2.565	70	20	CFID	
Cc1cccc([C@H]2CCCN2Cc2noc(C3CC3)n2)n1	159858406	GJJSEWNJPRBHTG-CQSZACIVSA-N	284.363	2.988	70	20	CFID	
CC[C@](C)(CCO)NC(=O)Nc1ccn(CCC(C)C)n1	159895850	VSQJZJCMBMXLNI-OAHLLOKOSA-N	296.415	2.602	70	20	CFID	
C[C@H]1C[C@@H](NC[C@@H](C)N2CCc3ccccc32)CCN1C	159904449	BWALXUPBBQXJRV-UXLLHSPISA-N	287.451	2.510	70	20	CFID	
O=C(CC[C@H]1CCCCO1)NCC1(C2CC2)CC1	159792997	JBHIDZAESNKSDT-CYBMUJFWSA-N	251.370	2.642	70	20	CFID	
CC[C@H](NCCCN1CCCC[C@@H]1C)[C@@H]1CCOC1	160276747	JEMASTHOJNSVFI-XHSDSOJGSA-N	268.445	2.656	70	20	CFID	
CCOc1ccc([C@@H](F)CS(=O)(=O)Cl)cc1	1537958751	JAZCTQDOHZCRHP-JTQLQIEISA-N	266.721	2.665	70	20	CFID	
CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)F)cc1	864241378	TYEZBETZLNNJFV-UHFFFAOYSA-N	287.356	2.511	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(N(C)C)cc2)CC1	161125063	AMGNVMREPJRMQM-UHFFFAOYSA-N	275.396	2.612	70	20	CFID	
CCCC(O)(CCC)CC(=O)NCCc1c(C)noc1C	161482167	DYIAOXQISMPUAL-UHFFFAOYSA-N	296.411	2.672	70	20	CFID	
CC(C)c1noc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160414988	PXCXDIHOURTYSF-MNOVXSKESA-N	251.330	2.563	70	20	CFID	
CCc1nc(CN[C@H](CC)c2ccc(F)cc2F)n[nH]1	160451915	CEXVSOVNKGDWJF-GFCCVEGCSA-N	280.322	2.886	70	20	CFID	
C[C@H]1CCc2c(F)cccc2[C@@H]1NCC(C)(C)O	160592382	SXPPBVZYOYCXSP-IINYFYTJSA-N	251.345	2.810	70	20	CFID	
CCC[C@@H](C(=O)Nc1cncnc1N(C)C)C(C)C	160656699	PZXMZMJCCKKGIY-LLVKDONJSA-N	264.373	2.553	70	20	CFID	
C[C@@H]1CCC[C@@H](CNC(=O)c2cccc3[nH]c(=O)oc23)C1	160781461	NCUIFAHYCAQREU-GHMZBOCLSA-N	288.347	2.677	70	20	CFID	
C[C@@H](C(=O)NCCc1cscn1)c1cccs1	159477667	MTDOAXIBUHTSHL-SECBINFHSA-N	266.391	2.667	70	20	CFID	
C[C@@H](N)C(=O)NCC1(Sc2ccccc2)CCCC1	159674235	LREXMWCVLWZTFG-GFCCVEGCSA-N	278.421	2.555	70	20	CFID	
CC[C@H]1CN(C(=O)Nc2ccnc(C)c2Cl)CCO1	159480872	BLLYULNRPDXACM-JTQLQIEISA-N	283.759	2.686	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)NCCC(=O)OC(C)C	159523885	FYDGSRWDSMXLLU-UHFFFAOYSA-N	283.755	2.720	70	20	CFID	
C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCCCN1CCCC1=O	159589786	DPPWIWQERBZFTL-SJKOYZFVSA-N	290.382	2.661	70	20	CFID	
COc1cc(NS(=O)(=O)c2ccccc2F)ccc1F	160240873	CSBLBYTWZUHDMA-UHFFFAOYSA-N	299.298	2.774	70	20	CFID	
C[C@@H]1C[C@H](NC(=O)NC(C)(C)C)CN1Cc1ccccc1	160380630	LEHPUYOQHDYEJS-HIFRSBDPSA-N	289.423	2.747	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N1CC[C@@H](C)[C@@H]1C	160701035	JJAPKYXHEVFSHK-SCZZXKLOSA-N	252.745	2.914	70	20	CFID	
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337759826	NLSUMRTUVQGWTF-SSDOTTSWSA-N	293.747	2.527	70	20	CFID	
CC(C)(C)CCNC(=O)c1cccc(S(=O)(=O)F)c1	1339472358	OKIOGVTUQRGXFO-UHFFFAOYSA-N	287.356	2.511	70	20	CFID	
CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1	161328937	JNKKZNNALSWPCE-RBSFLKMASA-N	289.423	2.921	70	20	CFID	
CCn1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cn1	161415177	GRDMYCFYMXSPES-UHFFFAOYSA-N	299.334	2.755	70	20	CFID	
COC[C@H](NC[C@H](C1CCCCC1)N(C)C)C(C)C	160413399	DZPWRRXTOWTJCS-JKSUJKDBSA-N	270.461	2.758	70	20	CFID	
O=C(NCCOc1ccccc1Cl)Nc1cccnc1	160816239	UMCHQFQPKCURID-UHFFFAOYSA-N	291.738	2.936	70	20	CFID	
COC(C)(C)C[C@H](C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1	160966358	KPFSLHDREJERLQ-YDHLFZDLSA-N	292.423	2.642	70	20	CFID	
CO[C@@H](CNC(=O)N1CCC2(CCC2)C1)c1ccccc1	159934971	NFAZPBXTOXMLHS-HNNXBMFYSA-N	288.391	2.960	70	20	CFID	
CCOc1cccc(NC(=O)N[C@@H](COC)C2CC2)c1	159372748	BFHVRSMKXIIGOI-AWEZNQCLSA-N	278.352	2.632	70	20	CFID	
O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@]2(CCNC2)C1	159396066	WSTGUWDYBXYFLK-CQSZACIVSA-N	298.308	2.531	70	20	CFID	
CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)c(N)c2)C1	159574391	AQTIWJVYRZRRAN-CHWSQXEVSA-N	278.421	2.981	70	20	CFID	
CC(=O)C[C@H](C)NC(=O)CCc1nc2ccccc2s1	159968841	TUNNEBCLGXUBNF-JTQLQIEISA-N	290.388	2.713	70	20	CFID	
CC1(O)CCN(Cc2cc(-c3ccccc3)on2)CC1	160833904	SWLUJFLFCWGETF-UHFFFAOYSA-N	272.348	2.688	70	20	CFID	
CC(C)(CCO)NC(=O)Cc1cccc2ccccc12	161500847	BBXOTQKOLACWFS-UHFFFAOYSA-N	271.360	2.660	70	20	CFID	
Cc1cscc1CNC(=O)N1CCC(C)CC1	160697608	JKHWYRFICUOBII-UHFFFAOYSA-N	252.383	2.998	70	20	CFID	
CCCCNc1ccccc1C(=O)NC[C@@H](C)CCO	160058485	CIMDDFOBERBRLP-ZDUSSCGKSA-N	278.396	2.647	70	20	CFID	
CC(C)(C)NC(=O)NCc1nnc(-c2ccccc2)s1	160210361	WWPIHJCIKZEBTC-UHFFFAOYSA-N	290.392	2.803	70	20	CFID	
CC[C@H](NC(=O)CO[C@H](C)CC)c1c(C)noc1C	160215868	KMZVHWBDUONOQQ-SKDRFNHKSA-N	268.357	2.674	70	20	CFID	
CC(=O)Nc1ccccc1CNc1ncccc1C	160284389	GGJMDZVPVBWEFW-UHFFFAOYSA-N	255.321	2.961	70	20	CFID	
CC1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1	160307707	VKQULXPCWCCYCU-LBPRGKRZSA-N	251.370	2.785	70	20	CFID	
CC(C)CN(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CC1	160459648	YLAOCAXMUXQUGV-UKRRQHHQSA-N	280.412	2.774	70	20	CFID	
Cc1cc(F)cc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c1	160598479	WLOLMRCGUTXSJQ-VXGBXAGGSA-N	280.343	2.759	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@H]1CCOc2ccccc21	160809365	HEECASGUNPMUAB-HNNXBMFYSA-N	284.359	2.550	70	20	CFID	
COC[C@H](N[C@H](CCCO)c1ccccc1)C(C)C	160849785	CSNSQXFYAGECPS-CVEARBPZSA-N	265.397	2.761	70	20	CFID	
C[C@@H](CC(=O)NCCC(F)(F)F)c1ccncc1	160921557	QIJJOTZUFXSHPD-VIFPVBQESA-N	260.259	2.644	70	20	CFID	
CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@@](C)(O)C1	159669130	DXONZRCCOGVBCW-UKRRQHHQSA-N	270.417	2.758	70	20	CFID	
CCc1ccc(OC(=O)c2cc(C)n[nH]2)c(OC)c1	159731213	QOIVCEOKJONNAR-UHFFFAOYSA-N	260.293	2.508	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1CC=CCC1	159570054	RIPBIHYKOCINBA-KGLIPLIRSA-N	263.381	2.951	70	20	CFID	
COC(=O)C1CCN(C(=O)c2cccc(C)c2Cl)CC1	160405016	WYHSBSXEVUSEGF-UHFFFAOYSA-N	295.766	2.674	70	20	CFID	
C[C@@H]1C[C@@H](NC[C@@H](C)N(C)Cc2ccccc2)CCN1C	160853964	HIRSDHJIBOWGSQ-NUJGCVRESA-N	289.467	2.579	70	20	CFID	
CC1CCN(C2CCC(NC(=O)[C@H]3C[C@H]3C)CC2)CC1	161504446	IPAICMWXOXIXPT-LMPOIIKSSA-N	278.440	2.802	70	20	CFID	
O=C(CC[C@H]1CCCCO1)N[C@@H]1CCOC2(CCCC2)C1	160032448	QDNLCVDBPZJZNK-HUUCEWRRSA-N	295.423	2.944	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1C[C@H](C)CCC[C@H]1C	160081126	NAPZUFHWWIGNGW-ZIAGYGMSSA-N	298.427	2.938	70	20	CFID	
CC[C@H](CC(=O)N(C)CC[C@@H](C)O)c1ccc(OC)cc1	160133726	ZDASINKHOHNGAI-ZIAGYGMSSA-N	293.407	2.808	70	20	CFID	
CC(C)OCCCN(C[C@H](C)O)c1ccccc1	160158612	SZAGFUOREJDBMH-AWEZNQCLSA-N	251.370	2.689	70	20	CFID	
CO[C@@H](C)c1nc(Cn2cnc(C(C)C)cc2=O)cs1	160854216	RFAICPMWRJSELB-JTQLQIEISA-N	293.392	2.579	70	20	CFID	
CC[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCOC1	160883055	ATERHQCISOMBFN-BPQIPLTHSA-N	290.451	2.912	70	20	CFID	
CC(C)CONC(=O)Nc1ccccc1O[C@@H]1CCOC1	160994092	JNSQTZYJZVFNLO-GFCCVEGCSA-N	294.351	2.563	70	20	CFID	
COc1cc(C)ccc1NC(=O)N(C)CC1CCOCC1	159802049	DMVXEXXTPCMRQI-UHFFFAOYSA-N	292.379	2.894	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(OCCOC)cc1C	159458015	PTCBBWMJEICQMN-CYBMUJFWSA-N	295.379	2.774	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1	159656954	ZQSUNXSPYFHRLC-OBCVZTRHSA-N	286.419	2.588	70	20	CFID	
CC[C@H](NCCCN1CCCC1=O)c1ccc(F)cc1	159561256	OXVOGYSKYDYOBR-HNNXBMFYSA-N	278.371	2.879	70	20	CFID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)CCC(C)C	159774897	YWHCPQJBIDJVAN-CQSZACIVSA-N	284.425	2.840	70	20	CFID	
COc1c(C)cnc(Cn2cnc3c2CCCC3)c1C	160726473	HQBLXYIIHWSDNQ-UHFFFAOYSA-N	271.364	2.831	70	20	CFID	
Fc1ccc(CN[C@H]2CCN3CCCC[C@@H]23)cc1F	217646577	XANZZVOGYYUKGA-GJZGRUSLSA-N	266.335	2.681	70	20	CFID	
CCCOc1ncccc1CNC(=O)C[C@@H](C)SC	161165991	DTBOQQVIRFJFID-LLVKDONJSA-N	282.409	2.628	70	20	CFID	
Cc1ccc(C(=O)N(C)C)cc1OCc1nccs1	161264799	DHTFASVAPFXCTE-UHFFFAOYSA-N	276.361	2.732	70	20	CFID	
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)Cc1cccnc1	160483772	OIWMJURFOKAUKU-LZWOXQAQSA-N	289.423	2.597	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1sccc1C(C)C	160467157	MHZRSPIAEPNFEZ-JTQLQIEISA-N	283.393	2.943	70	20	CFID	
COc1ccc(CNC(=O)c2ccc(C(C)C)nc2)cn1	160646460	XSGZPDJXZXDCEG-UHFFFAOYSA-N	285.347	2.539	70	20	CFID	
Cc1cc(NC(=O)c2ccccc2OC2CCC2)c[nH]c1=O	159810330	KUYJYUOYQCFJQS-UHFFFAOYSA-N	298.342	2.867	70	20	CFID	
COC[C@@H](NC(=O)Nc1cccc(F)c1F)C1CC1	159677601	NYYZENYDNORGII-LLVKDONJSA-N	270.279	2.511	70	20	CFID	
CC[C@@H](C)C[C@@H](C)NC(=O)N(C)CC1CCOCC1	159500894	UXDNKOALXSNDPM-CHWSQXEVSA-N	270.417	2.879	70	20	CFID	
C[C@H](NCc1cc(F)cc(Cl)c1)C(=O)N1CCCC1	160981288	SIRAWLKURVXGPE-JTQLQIEISA-N	284.762	2.580	70	20	CFID	
C[C@@H](Cc1cccs1)NC(=O)NOCc1cccnc1	161082716	NBPBFBYLOYJGRT-NSHDSACASA-N	291.376	2.505	70	20	CFID	
COc1cc(C)ccc1NC1CCC(NC(C)=O)CC1	161157461	ZYERTHNAHRWCTN-UHFFFAOYSA-N	276.380	2.863	70	20	CFID	
Cn1cc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cn1	161193101	IBFFFEXDKZIEGQ-UHFFFAOYSA-N	299.421	2.580	70	20	CFID	
Cc1nc(CCNC(=O)c2ccc(C(C)C)nc2)cs1	161454382	SEZOJXMGUJQICV-UHFFFAOYSA-N	289.404	2.942	70	20	CFID	
COc1ccc([C@@H](C)[C@@H](C)NC2CCN(C)CC2)cc1	161492702	GCHUCWTYHYSYKO-UONOGXRCSA-N	276.424	2.871	70	20	CFID	
CCOc1ncccc1NC(=O)NCC1(C2CC2)CC1	160243511	PMXRVUHIGRIJSG-UHFFFAOYSA-N	275.352	2.792	70	20	CFID	
CC(C)CCOc1ccc(CN2CCC[C@@H]2C(N)=O)cc1	160348017	WIVOHFCTPANSLF-MRXNPFEDSA-N	290.407	2.561	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	160689980	MTBLARCIGCLLDS-JKSUJKDBSA-N	286.350	2.926	70	20	CFID	
CCc1ccc(CC(=O)Nc2c(C)n[nH]c2C)cc1	160791173	TZOOFCOECVFGCP-UHFFFAOYSA-N	257.337	2.770	70	20	CFID	
CC(C)CSCCCNC(=O)c1cccnc1	160815340	XQMQFUHMHRWJOP-UHFFFAOYSA-N	252.383	2.591	70	20	CFID	
CC(C)(C)NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	160973168	TYPRRCYRJJGSOG-CQSZACIVSA-N	292.423	2.886	70	20	CFID	
C[C@@H]1CC[C@H](CC(=O)NC[C@]2(O)CCc3ccccc32)C1	159434988	LXPCZVZDQYOCHN-QWQRMKEZSA-N	287.403	2.763	70	20	CFID	
Cc1ccc([C@H]2CSCCN2CCn2ccnc2)cc1	159832254	AGJBAPVJCXJNGM-MRXNPFEDSA-N	287.432	2.982	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)Cc1cn2ccccc2n1	159675515	OLRRXTZKPQAXCM-TZMCWYRMSA-N	271.364	2.572	70	20	CFID	
CSc1ccccc1NC(=O)[C@@H]1CCCCO1	159559758	NIWHGNPQJXTNHD-NSHDSACASA-N	251.351	2.916	70	20	CFID	
COC(=O)CCN(CC(C)C)c1nc(C(C)(C)C)ns1	159963909	CWXIVPXRHWXZOR-UHFFFAOYSA-N	299.440	2.861	70	20	CFID	
C=CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)F)c1	1338068793	REXVRHJZVHBUMH-UHFFFAOYSA-N	299.367	2.819	70	20	CFID	
COCCOc1ccccc1NC(=O)C[C@@H](C)SC	161045709	AISPBPRPCZAQHZ-LLVKDONJSA-N	283.393	2.792	70	20	CFID	
COc1ccc(CC(=O)N2CCc3c(F)cccc3C2)cc1	161066747	ISTGERFYRHCVMY-UHFFFAOYSA-N	299.345	2.962	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2ncn(C)n2)cc1	161089405	OSTADGZSITULSR-VXGBXAGGSA-N	299.378	2.887	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)NC[C@H]1CCOC1	161105289	IMKYSSFCVNYEDI-OLZOCXBDSA-N	253.386	2.746	70	20	CFID	
CCCn1c(C)nnc1CN1CCC(OC(C)(C)C)CC1	161230942	DBPOYRVGDIJTDF-UHFFFAOYSA-N	294.443	2.776	70	20	CFID	
CC(C)COc1cccc(C(=O)N[C@H]2CCC[C@H](N)C2)c1	161359226	SJBIITWLCSRIIH-GJZGRUSLSA-N	290.407	2.721	70	20	CFID	
CCN1CC[C@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1	160051907	IWLXVRVJVJFNBD-ZBFHGGJFSA-N	291.439	2.689	70	20	CFID	
CCCCn1ncc(C(=O)Nc2cc(C)ccn2)c1C	160080794	SSFVUVKJRBZTEB-UHFFFAOYSA-N	272.352	2.947	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](C)CC1	160098286	KARRYMRACWWWNI-ZDUSSCGKSA-N	284.400	2.550	70	20	CFID	
Cc1nc(NC(=O)C[C@@H]2CCCCO2)cc(C2CC2)n1	160147615	YDTWEHXUFLLGGM-LBPRGKRZSA-N	275.352	2.560	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NC1C[C@H](C)O[C@@H](C)C1	160203495	NUMVMATWSKIDQU-SRVKXCTJSA-N	256.390	2.676	70	20	CFID	
CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@H](C)O1	160262357	GZEDGVYTONMTJJ-VNHYZAJKSA-N	276.380	2.601	70	20	CFID	
CC[C@@H](C(=O)NCc1ccccc1OCC(C)C)N(C)C	160295162	UMVFNIZDIQIHPR-HNNXBMFYSA-N	292.423	2.678	70	20	CFID	
CCOC[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1	160404598	QNWYBGQPKPNDRE-LBPRGKRZSA-N	297.345	2.782	70	20	CFID	
Cc1ccccc1CC(=O)NC[C@H]1CCCN1CC(C)C	160434137	PLSLMAYLYXJBKN-QGZVFWFLSA-N	288.435	2.774	70	20	CFID	
CC[C@H](NC[C@H]1CCCC[C@@H]1O)c1c(C)nn(C)c1C	160654136	VADXLIFJKRKJQA-ILXRZTDVSA-N	279.428	2.629	70	20	CFID	
C[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160662116	QUHYRPCOGYKCHO-SECBINFHSA-N	290.289	2.709	70	20	CFID	
CC(C)COc1ncccc1C(=O)NC1CC=CC1	160775152	PYCIVMXEYAYYIA-UHFFFAOYSA-N	260.337	2.565	70	20	CFID	
C/C(=C/C(=O)N[C@H](CCO)C(C)C)c1ccccc1	160787921	ZQFQATIMISLIIA-BMOGTNHUSA-N	261.365	2.613	70	20	CFID	
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160856674	DCRAUBTTYMDDNQ-JHJVBQTASA-N	251.370	2.641	70	20	CFID	
Cc1c(/C=C/C(=O)NC[C@H]2CCC[C@H](C)C2)cnn1C	160940941	JKHBKMHILDHCDB-FCSZMHKNSA-N	275.396	2.684	70	20	CFID	
O=C(C1CCNCC1)N1CC[C@H](c2ccc(Cl)cc2)C1	159807681	SJHUAHFOBOQLGU-AWEZNQCLSA-N	292.810	2.656	70	20	CFID	
C[C@@H]1CC[C@@H](CC(=O)N2CCC(NCC3CC3)CC2)C1	159826918	RTFZOLJOBDJJTO-UKRRQHHQSA-N	278.440	2.803	70	20	CFID	
CC[C@@H]1CN(C(=O)Nc2ccn(CCC(C)C)n2)CCO1	159847343	KLOOALPSLKWCJW-CYBMUJFWSA-N	294.399	2.572	70	20	CFID	
O=C(C[C@@H]1CCCN1)N[C@@H]1CCC[C@@H]1Cc1ccccc1	159450130	ILTUJCQBTGRQRL-IXDOHACOSA-N	286.419	2.656	70	20	CFID	
CCc1ccc(OC(=O)CCCC(=O)OC)c(OC)c1	159521392	OBAJQDCXPZBFCN-UHFFFAOYSA-N	280.320	2.506	70	20	CFID	
CC1(C)COCCN1C(=O)c1cc(C2CCCCC2)n[nH]1	159582429	MAPDAEXSFLFEHU-UHFFFAOYSA-N	291.395	2.708	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NCc2nc(C)cs2)on1	159783737	IHIGPIJVYMIDAV-QMMMGPOBSA-N	279.365	2.883	70	20	CFID	
CSc1ccc(C(=O)NCC2(N)CCCCC2)cc1	159461411	LSQFBXZRNFFNEW-UHFFFAOYSA-N	278.421	2.800	70	20	CFID	
COCCCCN(C)Cc1cccc(N(C)C)c1	159771699	UAEHQPUZKQXFAB-UHFFFAOYSA-N	250.386	2.611	70	20	CFID	
CCC(N)(CC)CNc1ccncc1Br	159922160	CKAYOOXIXBDRLA-UHFFFAOYSA-N	272.190	2.774	70	20	CFID	
CCCCOC[C@H](CS(=O)(=O)Cl)C(C)C	114477021	KOHHQFHUXNPSCA-SNVBAGLBSA-N	256.795	2.644	70	20	CFID	
CCc1ccc(CNc2nccn3c(C)nnc23)s1	218048908	KECDREXBJDSFMZ-UHFFFAOYSA-N	273.365	2.669	70	20	CFID	
Clc1cc(Sc2ncc[nH]2)nc(C2CC2)n1	218043998	BZYARQMDUQBVOZ-UHFFFAOYSA-N	252.730	2.882	70	20	CFID	
c1cc2cc(OCc3nnc4n3CCCC4)ccc2[nH]1	217323342	GWHVRHBDFLOEGK-UHFFFAOYSA-N	268.320	2.675	70	20	CFID	
Cc1nc(C)c(CCNC(=O)NC2(C)CCC2)s1	161011966	WFSQVWHWIGNPJB-UHFFFAOYSA-N	267.398	2.544	70	20	CFID	
Cc1nc(CC(C)C)sc1C(=O)N[C@H]1CCC[C@H](N)C1	161209627	HCEARHGMNVSGTF-RYUDHWBXSA-N	295.452	2.650	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)C3CCOCC3)c2C)o1	161408277	BOUWNACCGSJBIA-UHFFFAOYSA-N	289.335	2.652	70	20	CFID	
CCCC(=O)N[C@H]1CCCN(CCC2CCCC2)C1	160189199	AFFHBCULKYQJRL-HNNXBMFYSA-N	266.429	2.947	70	20	CFID	
CCOCCC1(CNC(=O)[C@@H](C)C2CC2)CCC1	160296961	CAURVBRFUKKCGW-LBPRGKRZSA-N	253.386	2.746	70	20	CFID	
C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160581273	QJMNDPXLJAMKHB-GFCCVEGCSA-N	299.378	2.888	70	20	CFID	
CCc1ccc([C@H](NCc2nncn2C)C(C)C)cc1	160710446	JOFUTNOGUPLYQH-MRXNPFEDSA-N	272.396	2.864	70	20	CFID	
CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccncc1	159904735	GZSGJYIQLZQINA-MNOVXSKESA-N	252.383	2.867	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(C2CCNCC2)n1	159964710	GNFLGKKFDLNZSS-AWEZNQCLSA-N	287.363	2.663	70	20	CFID	
CCCn1nccc1CNCCc1cccc(C)c1	160132499	GYFSMYSIVKHPRQ-UHFFFAOYSA-N	257.381	2.934	70	20	CFID	
CC1(C)C[C@@H](Nc2nccc(C(F)(F)F)n2)CCO1	160670050	IPROAOGLNUYWFL-QMMMGPOBSA-N	275.274	2.865	70	20	CFID	
COC(=O)c1sc(NC2CC(C)C2)nc1Cl	161423184	OTUOGLYMVWUBBC-UHFFFAOYSA-N	260.746	2.794	70	20	CFID	
CCN(CC)[C@H](CNC(=O)C[C@@H](C)SC)c1ccco1	161387751	QAZGGRDPMLKXGH-CHWSQXEVSA-N	298.452	2.920	70	20	CFID	
Cc1cc(C(=O)Nc2ccccc2OC(F)F)ncn1	161397241	FRCDUJITVXVCNV-UHFFFAOYSA-N	279.246	2.639	70	20	CFID	
COc1ccc(CC(=O)NCC2(C3CC3)CC2)cc1OC	160238325	FOVJHVKHTPRCTF-UHFFFAOYSA-N	289.375	2.553	70	20	CFID	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1	160304222	WAUHNLWUTJDOFP-XJKSGUPXSA-N	284.407	2.869	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1	160531626	CZCCHXSKMWOMNU-PWSUYJOCSA-N	289.379	2.604	70	20	CFID	
CC[C@H](Oc1ccccc1C)C(=O)NCC(N)(CC)CC	160561222	PWSAKAVSDVNNKC-AWEZNQCLSA-N	292.423	2.786	70	20	CFID	
CC(C)CC[C@@H](C)NC(=O)NC[C@@H](O)c1ccsc1	160866814	OPGCSDDMMHYGLO-DGCLKSJQSA-N	284.425	2.905	70	20	CFID	
C[C@@H](O)CN(C)Cc1nc(-c2c(F)cccc2F)cs1	159807553	KMHXXPIXVSABPS-SECBINFHSA-N	298.358	2.901	70	20	CFID	
CCC[C@H](CCO)CNC(=O)C[C@@H](C)c1c(C)noc1C	159639086	HFHQTTCNIYWOFM-BXUZGUMPSA-N	296.411	2.700	70	20	CFID	
C/C(=C\C(=O)N[C@@H]1CCOC2(CCCC2)C1)C1CC1	159860390	QFZBKEIZEJAZEA-IEZBTEQYSA-N	263.381	2.951	70	20	CFID	
CC1(C)CCC(C(=O)N2CCC[C@H](CCC(N)=O)C2)CC1	159861149	IAGYKMQPVKIDJL-CYBMUJFWSA-N	294.439	2.707	70	20	CFID	
C1CCCC(OCCSCCN2CCOCC2)CC1	159884047	KNESZYZMWIRNCI-UHFFFAOYSA-N	287.469	2.791	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1	159516886	DIIDRCNDKJLFRO-SOUVJXGZSA-N	281.444	2.548	70	20	CFID	
C[C@@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	159917437	WDKXONIGLIZTKJ-CYBMUJFWSA-N	266.429	2.755	70	20	CFID	
COc1ccc(N(C)C(=O)c2cncnc2C)cc1Cl	159977623	FXTFNXNIBJPOSG-UHFFFAOYSA-N	291.738	2.724	70	20	CFID	
O=C(Cc1cccs1)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	159952148	VWEQOXXKAFPIBZ-ZMSDIMECSA-N	283.396	2.993	70	20	CFID	
CC(C)CCS(=O)(=O)NC1CCC(OC(C)C)CC1	159383397	JMBBBODUPBOQHB-UHFFFAOYSA-N	291.457	2.688	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1cc2ccccc2c(Cl)n1	160071380	MRJCZIUKBFHHLE-NSHDSACASA-N	292.766	2.779	70	20	CFID	
O=C(CCCNCc1cc(F)cc(Cl)c1)NC1CC1	160960147	VMLOZAHCBVNYBJ-UHFFFAOYSA-N	284.762	2.628	70	20	CFID	
CC(C)(C)C[C@@H](CO)Nc1nccc(C(F)(F)F)n1	161428549	FIJJIGYRVWVDIN-QMMMGPOBSA-N	277.290	2.704	70	20	CFID	
Fc1ccc(NCc2nnc3n2CCCC3)c(F)c1F	217317504	IBRQHWWCJCLYSR-UHFFFAOYSA-N	282.269	2.644	70	20	CFID	
CC[C@@H](C)N(C)CCNc1ccc(C(F)(F)F)nn1	218002601	OPAJEGSQJYKCAB-SECBINFHSA-N	276.306	2.638	70	20	CFID	
O=S(=O)(Cl)CCCCOc1ccccc1F	100495482	HYPLEPVPLMAOAK-UHFFFAOYSA-N	266.721	2.553	70	20	CFID	
Cc1ncc([C@H](C)N[C@H]2CCC[C@H](N(C)C)C2)c(C)n1	161050490	RQGJJSSYRWPINS-QEJZJMRPSA-N	276.428	2.617	70	20	CFID	
C[C@H]1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C[C@H](C)C1	160047782	ZPCVMRRRBCFXQF-QWHCGFSZSA-N	298.390	2.980	70	20	CFID	
C[C@H](NC(=O)Nc1ccsc1)[C@H](O)Cc1ccccc1	160077521	QKISVMKURDQJIF-SMDDNHRTSA-N	290.388	2.862	70	20	CFID	
Cc1cccc(C(=O)N[C@H](C)c2nnc3ccccn23)c1F	160106031	MBEODBQTIAAZGY-LLVKDONJSA-N	298.321	2.668	70	20	CFID	
FC(F)(F)c1nnc(NCCc2ccncc2)s1	160184104	KNXPWQDYTGQKOZ-UHFFFAOYSA-N	274.271	2.607	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C1CC1)[C@H](C)C1CC1	160132408	NTQPPEFGBNCFMJ-GFCCVEGCSA-N	296.411	2.691	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)NCc1ccc(C(N)=O)o1	160226220	WHTKYBWCACRVRL-LLVKDONJSA-N	292.379	2.601	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](CC)OC1CCCCC1	160884898	SMCPQFSZZFANNV-GXTWGEPZSA-N	299.411	2.572	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	159640025	JFYDGEHRRFJFMU-WOPDTQHZSA-N	284.400	2.595	70	20	CFID	
Cc1nc(-c2cc([C@@H](C)NCCO)cs2)cs1	159695735	LHSNWLQHTBAJLQ-MRVPVSSYSA-N	268.407	2.823	70	20	CFID	
CCN1CCCN(C(=O)NCCCC(C)(C)C)CC1	159891809	ZMWIIADFXNPYNZ-UHFFFAOYSA-N	269.433	2.550	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)NC1CCC(OC(C)C)CC1	159388281	HSLCUJXXNTXXCY-IYXRBSQSSA-N	291.457	2.688	70	20	CFID	
Cn1c(CN[C@@H]2CCOC(C)(C)C2)nc2ccccc21	160524665	AEHLIEYHXWMMQS-GFCCVEGCSA-N	273.380	2.621	70	20	CFID	
CC[C@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1	160786829	RXQDHBRNRVUCBN-NSHDSACASA-N	292.276	2.545	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1F	161465441	HJZDQLYWMFLYJC-ZIAGYGMSSA-N	277.339	2.918	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H](COC)C2CC2)C1	161027162	CEBTZJZYUQAVCD-HOCLYGCPSA-N	282.472	2.902	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccoc2)n1	161229662	QKLYIOMPAZKJFY-UHFFFAOYSA-N	282.303	2.879	70	20	CFID	
C[C@@H]1CCC[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1	160214121	ZGJQEHDMERUBRH-NEPJUHHUSA-N	286.379	2.524	70	20	CFID	
COCCC1(C(=O)NCc2ccc(C)c(F)c2)CCC1	160246695	DOFGYABEJIHKNL-UHFFFAOYSA-N	279.355	2.957	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@H](C)c1ccccc1OC	160438877	JZSKUMQBDSVNMR-ZDUSSCGKSA-N	292.423	2.823	70	20	CFID	
O=C([C@@H]1CCCNC1)N1CC[C@@H](c2ccc(Cl)cc2)C1	159811943	VGPJCTIKHFPVKK-ZIAGYGMSSA-N	292.810	2.656	70	20	CFID	
CC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C	159864647	KKTMBMGNKIIFLP-RNCFNFMXSA-N	298.180	2.757	70	20	CFID	
CC[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	159908825	SYNZUCHMVDBRII-PBHICJAKSA-N	290.407	2.737	70	20	CFID	
Cc1nnc(N(C)Cc2nccn2Cc2ccccc2)s1	159715885	MAXXMICPKRPYRQ-UHFFFAOYSA-N	299.403	2.728	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCCOCC(F)(F)F)C1	159727058	OCSNNYLNYZFEBU-UWVGGRQHSA-N	267.291	2.508	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)c2cnsn2)C1	159563445	YCXLWTQKHVIMQX-SECBINFHSA-N	291.401	2.927	70	20	CFID	
Cc1ccc(C(=O)CCN2CCO[C@@H](C)[C@@H]2C)cc1	160283465	HPNTXQGRFCHZSP-KBPBESRZSA-N	261.365	2.677	70	20	CFID	
Cc1cccc(C)c1CNCCCOC[C@H]1CCCO1	160412876	SWKPTSYVJFYUKM-MRXNPFEDSA-N	277.408	2.979	70	20	CFID	
CCOc1ccc(CNC(=O)NCCC(C)C)cc1	217301018	SWYFJACZXUXHDB-UHFFFAOYSA-N	264.369	2.931	70	20	CFID	
CCCOCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160252431	AYTUUUAJZLRZEK-NSHDSACASA-N	277.242	2.655	70	20	CFID	
CC(C)OC[C@H](CS(=O)(=O)Cl)C(C)(C)C	114478243	VDHGZGCQSKJXRA-SECBINFHSA-N	256.795	2.642	70	20	CFID	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1120866610	SUQLERZUJAITCW-GHMZBOCLSA-N	299.367	2.748	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)N1CCOCC12CCC2	161184439	RTJFNXXCCKTRQS-NSHDSACASA-N	292.379	2.567	70	20	CFID	
CN(CCc1cccc(OC(F)(F)F)c1)[C@H]1CCOC1	160068321	OFMFOKIBAWQRQS-LBPRGKRZSA-N	289.297	2.848	70	20	CFID	
CCC[C@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1	160104704	IBZDURDEMMPUNE-RDJZCZTQSA-N	274.408	2.694	70	20	CFID	
CSC[C@H](CCO)N[C@@H]1CCc2cc(F)ccc21	160153710	NUJQIVGMGSUYQN-GXTWGEPZSA-N	269.385	2.517	70	20	CFID	
COCCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160341688	GAVPJVDLILHBLV-NSHDSACASA-N	277.242	2.655	70	20	CFID	
COc1ccc2cccc(CC(=O)NCCCF)c2c1	160458157	OPLVBXDHOHLFMX-UHFFFAOYSA-N	275.323	2.867	70	20	CFID	
Cc1c(C(=O)NC2CC=CC2)cnn1Cc1ccccc1	160944095	JQFHWZCIQDIECQ-UHFFFAOYSA-N	281.359	2.688	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)c1cccn1C	159410102	HDLBRNXQUXGGAD-UHFFFAOYSA-N	272.348	2.743	70	20	CFID	
CCc1noc(C)c1CSCCOC[C@H]1CCCO1	159816071	FUVSCCQYMNHIOV-GFCCVEGCSA-N	285.409	2.974	70	20	CFID	
CC(C)CONC(=O)Nc1cccc(N2CCCC2)c1	159628213	RMDYFUVGQRWAEU-UHFFFAOYSA-N	277.368	2.996	70	20	CFID	
O=C(NCC1(c2ccc(F)cc2)CC1)[C@H](O)c1ccccc1	159864075	RMQLLQSODIVGQD-MRXNPFEDSA-N	299.345	2.707	70	20	CFID	
CCc1[nH]nc(NC(=O)COC/C=C/c2ccccc2)c1C	159741730	RJCTVJWCBAHVIB-JXMROGBWSA-N	299.374	2.949	70	20	CFID	
Nc1cc(Oc2ccccc2)ccc1OS(=O)(=O)F	1887577417	IWBAQWORUJHXDC-UHFFFAOYSA-N	283.280	2.654	70	20	CFID	
Cc1ccccc1SCC(=O)NCC1(N)CCCCC1	159507693	HYAIVDLYTBAUSY-UHFFFAOYSA-N	292.448	2.865	70	20	CFID	
O=C(CCC1CCCC1)CN1C(=O)c2ccccc2C1=O	159916299	QOLJAJDJLBNYSG-UHFFFAOYSA-N	285.343	2.822	70	20	CFID	
CC[C@H](C)NCCCOCc1ccc(OC)cc1	161091136	WCTMLJOXXSNOOA-ZDUSSCGKSA-N	251.370	2.990	70	20	CFID	
CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)F)cc1	864244413	VQTLBRNVSTXRKA-SNVBAGLBSA-N	287.356	2.605	70	20	CFID	
CCCC[C@H](COC)N[C@@H]1CCC[C@H](N(C)C)C1	161087992	PPTBLWQOPOGGHH-KFWWJZLASA-N	256.434	2.654	70	20	CFID	
CC(C)Sc1ccccc1C(=O)N[C@@H]1CCC[C@H]1O	161184340	CPDFCLHOAGHALX-CHWSQXEVSA-N	279.405	2.830	70	20	CFID	
CCC(CC)(CNC1C[C@@H](C)O[C@H](C)C1)C(=O)OC	161257332	NVTDFTJKUQTOKU-VXGBXAGGSA-N	271.401	2.511	70	20	CFID	
COC(=O)Nc1ccc(OCc2nccs2)cc1	161267549	LLKIJGCKVOFDQU-UHFFFAOYSA-N	264.306	2.900	70	20	CFID	
CNC[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	161334880	QNZBSHLJDYVNHU-LLVKDONJSA-N	294.370	2.941	70	20	CFID	
Cc1cccc([C@@H](NC(=O)[C@H]2CCCO2)c2ccccn2)c1	160002491	YVUAXWAWLQUIPE-IAGOWNOFSA-N	296.370	2.775	70	20	CFID	
Cc1cccc([C@H](NC(=O)[C@H]2CCOC2)c2ccccn2)c1	160074932	ZJCQKFJDWGDQQA-RDJZCZTQSA-N	296.370	2.632	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1C[C@@H](C)CCC[C@@H]1C	160080989	NAPZUFHWWIGNGW-KBPBESRZSA-N	298.427	2.938	70	20	CFID	
C[C@H](N)[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160196738	VWGVGYXHSHPERB-MMLUDYIGSA-N	290.451	2.787	70	20	CFID	
CC(C)COc1cncc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160333215	CETQLPKKVCUGMJ-ZIAGYGMSSA-N	291.395	2.881	70	20	CFID	
CCCN1CCCN(C(=O)c2cc(C)ccc2C)CC1	160383263	HEGZGVYTVUHTEO-UHFFFAOYSA-N	274.408	2.861	70	20	CFID	
CC/C(=C/C(=O)N1CCC[C@@H]1CN)c1ccc(C)cc1	160399119	NODHRZCALZUFDK-SYCZXOQXSA-N	272.392	2.738	70	20	CFID	
CC[C@H](C)OCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21	160473975	NAJQYMDJHHOMPI-QWHCGFSZSA-N	277.364	2.924	70	20	CFID	
CC[C@H](N[C@H]1CCc2nc(C)nn2C1)C1CCCCC1	160561025	GZLMQGINRIYBSS-GJZGRUSLSA-N	276.428	2.850	70	20	CFID	
Cn1cnnc1CN(Cc1ccc(Cl)cc1)C1CC1	160809960	KGGYTFBFCHWEFK-UHFFFAOYSA-N	276.771	2.633	70	20	CFID	
COc1ccc(N(C)C(=O)CCc2cccnc2)cc1F	159828223	FRSCPCMOOGELOD-UHFFFAOYSA-N	288.322	2.825	70	20	CFID	
Cc1cc(C(=O)Nc2cc(F)ccc2OC(F)F)no1	159387687	AFHXFDXCPRRWKU-UHFFFAOYSA-N	286.209	2.976	70	20	CFID	
COCc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159590944	ZFYJWONRNCFNHY-BBWFWOEESA-N	287.403	2.880	70	20	CFID	
Cc1cc(N[C@H]2CCCc3cc(N)ccc32)ncn1	159478399	ZKLQSPBNPPMWLJ-AWEZNQCLSA-N	254.337	2.857	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccccc1F	159826265	ZORZJWLMUYVDGG-UHFFFAOYSA-N	268.332	2.746	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1ccc2c(c1)OCO2	160144939	XVEBPNNPAYLMJB-OLZOCXBDSA-N	278.396	2.796	70	20	CFID	
CCc1nc(CN[C@H](C)c2cc(C)sc2C)n[nH]1	160307240	WAVJVWMIMZKWNK-SECBINFHSA-N	264.398	2.896	70	20	CFID	
C[C@H]1CCCC[C@@H]1OC[C@@H](C)CS(=O)(=O)Cl	112159553	XAVLNPXBRKQVDY-VWYCJHECSA-N	268.806	2.786	70	20	CFID	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1)C1CC(C)(C)C1	864243916	FCZVSWNSIMJEQM-UHFFFAOYSA-N	299.367	2.605	70	20	CFID	
Cn1nccc1CSc1nnc(-c2ccccc2)n1C	161230649	YXBUHNWVZMGVCQ-UHFFFAOYSA-N	285.376	2.508	70	20	CFID	
C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccco1	160198826	JUNQQDFPKUFGIV-GFCCVEGCSA-N	288.347	2.828	70	20	CFID	
CCCCCOCC(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160337674	UFHHDANZRSVTGQ-UHFFFAOYSA-N	292.339	2.518	70	20	CFID	
CC1(C)C[C@H](NCc2ccc(N3CCCC3)nc2)CCO1	160468574	TVGQOLATDDZRLY-OAHLLOKOSA-N	289.423	2.729	70	20	CFID	
C[C@@H](CO)N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F	160585632	DQQIIXMOHZIYBU-CMPLNLGQSA-N	289.297	2.562	70	20	CFID	
CCn1c(C(=O)N[C@H](CCO)C(C)C)cc2ccccc21	160696509	SESWXPCPWKGIDT-CQSZACIVSA-N	288.391	2.798	70	20	CFID	
CC(C)CC[C@H](C)NC(=O)NC[C@@H](O)c1ccsc1	160866909	OPGCSDDMMHYGLO-WCQYABFASA-N	284.425	2.905	70	20	CFID	
Cc1cc(NC(=O)[C@H]2OCCc3ccccc32)ccn1	159801619	RWAKODFBZQBULZ-HNNXBMFYSA-N	268.316	2.643	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ncn(-c2ccccc2)n1	159749322	DJKCEOZDFFKCPG-TZMCWYRMSA-N	284.363	2.576	70	20	CFID	
CN(C)CCn1ccc(NC(=O)C2CCC(C)(C)CC2)n1	159790547	VUOCXZYRBAYLON-UHFFFAOYSA-N	292.427	2.600	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1	159793209	WDEDWESAYOBUTK-YIYPIFLZSA-N	281.396	2.661	70	20	CFID	
CC(C)N(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)C(C)C	159656840	GXGJXDAJTSHFPZ-GJZGRUSLSA-N	266.429	2.896	70	20	CFID	
CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](CN)C1CC1	159879845	VNIRFKISFIKYDQ-GRYCIOLGSA-N	292.345	2.551	70	20	CFID	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1nnc2n1CCC2	160886767	OHPHEFBTOFSFHF-SECBINFHSA-N	294.761	2.868	70	20	CFID	
Cc1cccc(C(=O)NC[C@H](C)N2CCCCC2)c1F	161484255	DQVPSPWVJHAZNY-ZDUSSCGKSA-N	278.371	2.738	70	20	CFID	
CCOCCCN1CCO[C@@H](c2ccc(F)c(F)c2)C1	160373963	YMEYZFFLULIDSI-OAHLLOKOSA-N	285.334	2.765	70	20	CFID	
CN(Cc1cccc2ccccc12)Cc1nncn1C	160801654	FWBGIKSMIWCJFZ-UHFFFAOYSA-N	266.348	2.600	70	20	CFID	
CCC[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)F)c1	1336410819	POVDEGHRRXRBHP-SNVBAGLBSA-N	287.356	2.605	70	20	CFID	
Fc1ccc(CN[C@H]2CCN3CCCC[C@@H]23)c(F)c1	217643040	BKLXVKJTYXWEAB-GJZGRUSLSA-N	266.335	2.681	70	20	CFID	
O=S(=O)(F)c1c(Cl)cc(F)cc1Br	238855008	QCVKQSMXROEUEB-UHFFFAOYSA-N	291.500	2.900	70	20	CFID	
Cc1ccc(C)c(Cn2c(-c3cccnc3)noc2=O)c1	161267878	INAGUMMGUBQALA-UHFFFAOYSA-N	281.315	2.563	70	20	CFID	
CS[C@H](C)CC(=O)N(CCN(C)C)Cc1ccccc1	161496802	UNJSTOILVHSYGF-CQSZACIVSA-N	294.464	2.718	70	20	CFID	
CCCC[C@H](COC)NCc1cccc(C(=O)NCC)c1	160186373	HJTAFKWXPVKFTG-MRXNPFEDSA-N	292.423	2.731	70	20	CFID	
CC(C)CNC(=O)NCc1nnc(-c2ccccc2)s1	160211324	QDOVJRCQCCNEJA-UHFFFAOYSA-N	290.392	2.660	70	20	CFID	
CC[C@H](C)NC(=O)CCNC(=O)C(C)(C)C1CCCC1	160228511	GHUDQJQABZGEQW-LBPRGKRZSA-N	282.428	2.624	70	20	CFID	
C[C@@H](CC(=O)Nc1cnc(C2CC2)nc1)c1ccncc1	160420826	NLVHGODJPVTXHP-NSHDSACASA-N	282.347	2.881	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)N[C@@H](C)C1CCOCC1	160458018	FGULEAKQGWNOSX-NEPJUHHUSA-N	256.390	2.535	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ncoc1-c1ccccc1	160723782	DWWUOMWRKQRUJF-UHFFFAOYSA-N	295.342	2.952	70	20	CFID	
CCN(CC)C(=O)C[C@H](C)NCc1ccc(C)s1	160938222	FUUOGSXDOTUTRU-NSHDSACASA-N	268.426	2.793	70	20	CFID	
COCc1noc([C@H]2C[C@@H]2c2sccc2C)n1	160968407	WTCKXCBAVBPODN-IUCAKERBSA-N	250.323	2.857	70	20	CFID	
COC[C@H](NC[C@H](C)N1CCc2sccc2C1)C1CC1	159885420	LJCXNIRWJPTGIQ-WFASDCNBSA-N	294.464	2.509	70	20	CFID	
O=C(N[C@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCCCN1	159712296	NUCKGCZHXGUACW-PMPSAXMXSA-N	272.392	2.581	70	20	CFID	
CCCCNC(=O)N[C@@H]1CCCc2cc(N)ccc21	159439342	HSRJTJFRKLNUBG-CQSZACIVSA-N	261.369	2.746	70	20	CFID	
CCc1cc(O)nc(CN(C)C2CCCCCC2)n1	160611893	KJKAOWPHAHRBOA-UHFFFAOYSA-N	263.385	2.899	70	20	CFID	
CSc1ccsc1C(=O)Nc1c(C)ccn(C)c1=O	161366624	IKVJEQYEOIQSOI-UHFFFAOYSA-N	294.401	2.729	70	20	CFID	
CCCC[C@@H](COC)NC[C@](C)(O)c1ccsc1	160033551	TXGQCONZJIEJSK-KBPBESRZSA-N	271.426	2.750	70	20	CFID	
C[C@H](CS(=O)(=O)NCC1(C2CC2)CC1)c1ccccc1	160110452	ULVPTCSPNZKPOP-CYBMUJFWSA-N	293.432	2.900	70	20	CFID	
O=C(NC1CCCC1)N1CC=C(C(F)(F)F)CC1	160242953	FDLYJBBILYHYKX-UHFFFAOYSA-N	262.275	2.833	70	20	CFID	
NC(=O)c1c(F)cccc1OCC(=O)CCC1CCCC1	160562915	IQUBZEMDAJPSLW-UHFFFAOYSA-N	293.338	2.843	70	20	CFID	
CCCCN(C)C(=O)c1cnn(CCCC)c1C	160945211	GZPSGLPXFVYSSN-UHFFFAOYSA-N	251.374	2.864	70	20	CFID	
O=C(N[C@@H]1CCN(C2CCCC2)C1)N1CCCCCC1	160791181	RNSAYQFAAVDZJD-CQSZACIVSA-N	279.428	2.589	70	20	CFID	
O=S(=O)(F)c1cccnc1Oc1ccc(F)cc1	675065057	YTSKZKRYPKPCQP-UHFFFAOYSA-N	271.244	2.671	70	20	CFID	
CN(Cc1ccc(OC(F)F)cc1)Cc1csnn1	160629172	ASPJSCPSFZOQOC-UHFFFAOYSA-N	285.319	2.772	70	20	CFID	
CN(Cc1csnn1)Cc1ccccc1Cl	160823056	XBIDEXHHMJTCPJ-UHFFFAOYSA-N	253.758	2.824	70	20	CFID	
C[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1338251275	TVLXEEFXYWKGAF-UMSPYCQHSA-N	299.367	2.653	70	20	CFID	
C[C@@H]1Sc2ccccc2N(CCCS(C)(=O)=O)[C@H]1C	161143540	KFWRGGJZGWDKLG-RYUDHWBXSA-N	299.461	2.810	70	20	CFID	
CCS[C@@H](C)c1noc(CSCCOC)n1	161263009	ISRKPPRLVKXFSX-QMMMGPOBSA-N	262.400	2.763	70	20	CFID	
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H](C)N	161415182	NYBZDQCZHCIBOV-GWCFXTLKSA-N	298.814	2.899	70	20	CFID	
Cc1nnc([C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)o1	160026224	FITMWJRZJXYXGP-MRVPVSSYSA-N	287.323	2.758	70	20	CFID	
COc1ccc(F)cc1C(=O)NCCc1cccc(O)c1	160217342	UYEIHTZIUYXTKN-UHFFFAOYSA-N	289.306	2.512	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1	160228815	OOSCEHJSMWXKGT-PBHICJAKSA-N	286.375	2.954	70	20	CFID	
CC[C@H](N[C@H](CCO)CSC)c1ccc(OC)cc1	160250333	DGMBZNAJZZEWIC-HIFRSBDPSA-N	283.437	2.850	70	20	CFID	
CC1(C)C[C@H](NCc2cnn(-c3ccccc3)c2)CCO1	160508466	HUSADAAWAMZGNF-OAHLLOKOSA-N	285.391	2.920	70	20	CFID	
COc1cc(CNC(=O)c2ccc(C(C)C)nc2)ccn1	160683601	FHIXLJFHGJAUBS-UHFFFAOYSA-N	285.347	2.539	70	20	CFID	
CC(C)COc1ncccc1C(=O)Nc1cccc(F)n1	160728877	VKEIHMBGURVJLI-UHFFFAOYSA-N	289.310	2.903	70	20	CFID	
COC[C@H](NC[C@@H](C)N1CCc2sccc2C1)C(C)C	159872355	KMEQBAUXIDTFGK-HIFRSBDPSA-N	296.480	2.755	70	20	CFID	
COCC[C@@H](C)NC(=O)c1ccc(Cl)cc1C	159717282	DXHJJAWPZXWQGJ-SNVBAGLBSA-N	255.745	2.803	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)CC2CCCCCC2)C1	160890389	QQEUOVGZPVHXNS-KBPBESRZSA-N	252.402	2.733	70	20	CFID	
O=S(=O)(F)Oc1ccc(Sc2ccncc2)cc1	1887504198	NYMRWSTVELTGNS-UHFFFAOYSA-N	285.321	2.826	70	20	CFID	
C[C@@H](CNCc1ccc2cc[nH]c2c1)N(C)C1CC1	217537084	CLLBTIXKKWDXSW-LBPRGKRZSA-N	257.381	2.740	70	20	CFID	
Cc1nc(C2(NCc3csc(C)n3)CCCC2)no1	161364344	IIIMMIWUQSFHLV-UHFFFAOYSA-N	278.381	2.702	70	20	CFID	
CCO[C@H](C)c1nccn1Cc1nc(C)cs1	161483695	LYDQCOGKSUJVIK-SNVBAGLBSA-N	251.355	2.794	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1cccs1	160491761	LXYHQVNQLPWBQJ-CYBMUJFWSA-N	280.437	2.527	70	20	CFID	
CCCCN(C)C(=O)Nc1cc(C(=O)OC)cs1	160619798	AQCXIULSGQPVIT-UHFFFAOYSA-N	270.354	2.799	70	20	CFID	
CCCc1cc(N[C@H]2C=CCCC2)n2ncnc2n1	160717454	NWRWDZRGCMBBMI-NSHDSACASA-N	257.341	2.597	70	20	CFID	
CN(Cc1cc(C(N)=O)cs1)Cc1ccccc1F	160731566	JYMYFZCXJJVFDG-UHFFFAOYSA-N	278.352	2.618	70	20	CFID	
O=C(NCc1nccs1)c1cc(F)cc2cccnc12	160732870	CDKKHRYHGADNSF-UHFFFAOYSA-N	287.319	2.760	70	20	CFID	
C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(CO)CC1	160885087	HZZCJWYZNBGARP-GFCCVEGCSA-N	295.810	2.750	70	20	CFID	
C[C@@H](NC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1Cl	159627791	NMPKIBMDSWIUBV-RNCFNFMXSA-N	284.762	2.798	70	20	CFID	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CCCCCCN	159665763	LUOFDYQWSZKDIL-ZBFHGGJFSA-N	298.471	2.853	70	20	CFID	
Cn1ccc(CNC(=O)c2cccc(OC(F)(F)F)c2)c1	159475436	GOBYNPFBSWDVMN-UHFFFAOYSA-N	298.264	2.854	70	20	CFID	
Cc1occc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159951896	NONPFXXUYZHRRP-GFCCVEGCSA-N	263.337	2.810	70	20	CFID	
CCOc1ccc(CNC(=O)Nc2cc(C)on2)cc1	217300886	GKGHZLJOCCUTPF-UHFFFAOYSA-N	275.308	2.703	70	20	CFID	
CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(Cl)o1	218199531	CXHACZGKZGWRKV-NSHDSACASA-N	295.770	2.974	70	20	CFID	
O[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1F	160810819	YVQQHUIMEHJUEK-CHWSQXEVSA-N	257.736	2.872	70	20	CFID	
C/C=C(/CC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674005	ATNGXJFKXDEIRL-BAQGIRSFSA-N	289.303	2.779	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1cc2c(F)cccc2s1	217904422	JPVVRPYGXSTUNH-BXKDBHETSA-N	293.363	2.931	70	20	CFID	
CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218470217	KZQVENHTGRRNPY-BFQNTYOBSA-N	281.396	2.661	70	20	CFID	
CC(C)CNc1nnc(SCc2ccnn2C)s1	161301287	RUTCRIGOQVEXMH-UHFFFAOYSA-N	283.426	2.632	70	20	CFID	
C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1nncn1C	161157311	JBODBEJWRDUMDA-WDEREUQCSA-N	274.393	2.704	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCOC1CCOCC1	161205862	SOMZWURMAYUTGV-ZBFHGGJFSA-N	297.439	2.999	70	20	CFID	
CC(C)Cn1ncc(C(=O)NCCCF)c1C1CC1	160611640	DOSFGOYJFYKMEO-UHFFFAOYSA-N	267.348	2.506	70	20	CFID	
CCCC1(CNC(=O)NC[C@H]2CCN(C3CC3)C2)CCC1	160710214	HUGJADKMJYBDPE-CQSZACIVSA-N	293.455	2.740	70	20	CFID	
Cc1ccccc1CCC(=O)N(C)Cc1cccn1C	160897537	UOXLECUHNIJCQZ-UHFFFAOYSA-N	270.376	2.925	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2N)ccc1OC(C)C	160902208	GMQOKBNFEUBJOB-KGLIPLIRSA-N	276.380	2.848	70	20	CFID	
CCc1noc(C)c1CSCc1noc(C)n1	159709981	FZLKLSZTERKCNT-UHFFFAOYSA-N	253.327	2.670	70	20	CFID	
COCC(C)(C)C(=O)N(C)Cc1nc2ccccc2s1	159792716	UJDWGZGMVMQTPU-UHFFFAOYSA-N	292.404	2.927	70	20	CFID	
Cc1ccccc1OCCN(C)C[C@@H](O)Cc1ccccc1	218763723	BGEHAYUHZQALNM-SFHVURJKSA-N	299.414	2.909	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)c2ncccc2OC)o1	161360917	NXFJBBRYOBSEOP-MDZDMXLPSA-N	286.331	2.922	70	20	CFID	
Cc1ccc2cc(C(=O)N3CCC[C@H](N(C)C)C3)ccc2n1	161480803	ICLUPDHMLXUCIT-INIZCTEOSA-N	297.402	2.709	70	20	CFID	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC(C)(C)N	160002032	PWLUHEOPKTVOMS-NHAQELONSA-N	290.407	2.731	70	20	CFID	
C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccco1	160223471	XKPGSONTIPYUOF-UWVGGRQHSA-N	262.275	2.567	70	20	CFID	
CSCCCCC(=O)N(C)c1ccc2c(c1)OCO2	160440759	URCKPHLQMAATQO-UHFFFAOYSA-N	281.377	2.911	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	160465529	RRGDYULBRSQRFW-GHMZBOCLSA-N	296.361	2.702	70	20	CFID	
CCC(CC)CNC(=O)N(CCOC)Cc1cccnc1	160565243	VZKVJRMCRHMGBU-UHFFFAOYSA-N	293.411	2.676	70	20	CFID	
CC(C)c1cc(=O)n(Cc2cnn(-c3ccccc3)c2)cn1	160822556	OYZXRLUCJBZRRQ-UHFFFAOYSA-N	294.358	2.601	70	20	CFID	
CS[C@@H](C)CNC(=O)Nc1cccnc1OC(C)C	160838441	CUDYPEIQLIOUQM-JTQLQIEISA-N	283.397	2.742	70	20	CFID	
CCCC1(CNC(=O)N(CCN(C)C)C(C)C)CCC1	159626013	YUWUZMGAZOAFIZ-UHFFFAOYSA-N	283.460	2.938	70	20	CFID	
CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1cccc(F)c1F	159436702	VKGLFPZOSJTHKG-MNOVXSKESA-N	284.350	2.871	70	20	CFID	
CC(=O)C[C@H](C)NC(=O)Cc1c(C)nc2ccccc2c1C	159956005	WJISRFZNEJXLRJ-NSHDSACASA-N	298.386	2.878	70	20	CFID	
CCOC(=O)C[C@@H](C)Nc1nc(C(C)(C)C)ns1	159973148	BXSZIIYRKLJXHJ-MRVPVSSYSA-N	271.386	2.589	70	20	CFID	
COc1ccccc1CNC(=O)Nc1ccc(C)nc1	217313948	SCQGFGFMCWSWER-UHFFFAOYSA-N	271.320	2.720	70	20	CFID	
O=C(Oc1ccccc1F)c1cccc(S(=O)(=O)F)c1	1336920300	HBFSPHULNFEMCL-UHFFFAOYSA-N	298.266	2.703	70	20	CFID	
CCn1cnnc1CNCc1cccc(C(F)(F)F)c1	218227311	GYLPWTPDVHIZBY-UHFFFAOYSA-N	284.285	2.607	70	20	CFID	
CCC[C@@H](CC)NC(=O)N1CCCN(CC(F)F)CC1	161252614	DENQJRBAGHMJIB-GFCCVEGCSA-N	291.386	2.548	70	20	CFID	
COc1cccc(CCC(=O)NCCc2cccc(O)c2)c1	160142956	SGMLEMUERIHAEU-UHFFFAOYSA-N	299.370	2.692	70	20	CFID	
Cc1nc(C)c(C)c(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160387140	XYPGVIMECUHOAY-UONOGXRCSA-N	261.369	2.771	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1	160539257	YFLUYFRLCSXONE-OAHLLOKOSA-N	296.361	2.815	70	20	CFID	
Cn1cnnc1CN1CCC[C@@H]1c1cccc(Cl)c1	160810957	IYLIYQHIIIMAPI-CYBMUJFWSA-N	276.771	2.806	70	20	CFID	
Cc1ccc(C(=O)N2CCc3c(F)cccc3C2)cn1	160898718	GYASQPUCEXJXCE-UHFFFAOYSA-N	270.307	2.728	70	20	CFID	
COCCC1(CNC(=O)N2CCc3c(C)cccc32)CC1	160993907	QNYLDXUBQRDVMS-UHFFFAOYSA-N	288.391	2.884	70	20	CFID	
CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2C)C1	159819872	QWZKGNDDNZEPHV-KGLIPLIRSA-N	260.381	2.657	70	20	CFID	
C[C@H](CNC(=O)N[C@@H]1CCOC(C)(C)C1)c1nccs1	159631576	YUYZGDQEZQEUBG-GHMZBOCLSA-N	297.424	2.503	70	20	CFID	
CC[C@H](CC(=O)Nc1c[nH]c(=O)c(C)c1)C(C)C	159654351	UXTDBPQVOJKTIJ-LLVKDONJSA-N	250.342	2.694	70	20	CFID	
C[C@@H]1CC(NC(=O)N[C@@H]2CCCC2(C)C)C[C@@H](C)O1	159685835	KVYHIKDSLKUSPO-NQBHXWOUSA-N	268.401	2.820	70	20	CFID	
COC(=O)CCCC(=O)N(C)c1cccc2ncccc12	159496165	QYKYIPSLZIAQOL-UHFFFAOYSA-N	286.331	2.541	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(C(C)=O)cc1	159701071	CQWCQCIQIUKYCQ-UHFFFAOYSA-N	292.379	2.809	70	20	CFID	
CN(C)[C@@H](CNC(=O)NC1(C)CCC1)c1ccc(F)cc1	159716071	SDRTVQOKSQSNJT-AWEZNQCLSA-N	293.386	2.670	70	20	CFID	
O=C(C[C@H]1OCCc2ccccc21)NCC1(C2CC2)CC1	159965143	XSSUWJOFXYCDJK-MRXNPFEDSA-N	285.387	2.997	70	20	CFID	
CC1=CCN(c2nc3ccccc3cc2CO)CC1	159976971	KPBAVOCEZLGJOO-UHFFFAOYSA-N	254.333	2.884	70	20	CFID	
Cc1ccccc1CCC(=O)NCC1(CO)CCCC1	160312414	GGFXYSIWUSWZRY-UHFFFAOYSA-N	275.392	2.597	70	20	CFID	
CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	809281769	XVGAGPGPKHZVHW-ZJUUUORDSA-N	287.356	2.966	70	20	CFID	
CC(C)C(C)(C)NC(=O)c1cccc(S(=O)(=O)F)c1	1338069177	ULMXHUBIEZJDKZ-UHFFFAOYSA-N	287.356	2.509	70	20	CFID	
CCOc1ccc(CN[C@@H]2CCN3CCCC[C@@H]23)cc1	217644338	GBBKTUWDMNYVAZ-SJORKVTESA-N	274.408	2.802	70	20	CFID	
Cc1cccc(C)c1CSCC(=O)NC[C@@H]1CCCO1	161388694	ZRCAGASAVXQPSF-AWEZNQCLSA-N	293.432	2.832	70	20	CFID	
Cc1nc(Cn2nc(C3CC3)nc2C2CC2)cs1	161494659	URCHMYCZOMAHFS-UHFFFAOYSA-N	260.366	2.846	70	20	CFID	
O=C(COC1CCCCC1)N[C@H]1CCOC2(CCCC2)C1	160220371	VYXXEYNVSAFLBJ-AWEZNQCLSA-N	295.423	2.944	70	20	CFID	
O=C(NCC1(C2CC2)CC1)C1=Cc2ccccc2OC1	160225975	VRAMICAVKLURPB-UHFFFAOYSA-N	269.344	2.769	70	20	CFID	
CCCCC(=O)Nc1ccc(C(=O)NC)cc1Cl	160357123	DEEPOFLXBSPAJN-UHFFFAOYSA-N	268.744	2.828	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc(Cl)n1	160580535	JSPMWDUOKIMJJX-STQMWFEESA-N	294.782	2.731	70	20	CFID	
O=C(NCCc1nc2ccccc2[nH]1)N1CCC2(CCC2)C1	160606573	KSOKAXOLVJJJDZ-UHFFFAOYSA-N	298.390	2.691	70	20	CFID	
CCN(CC)[C@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1	160824565	LHSXUSYXTYTXBS-ZBFHGGJFSA-N	289.423	2.518	70	20	CFID	
Cc1cc(NC(=O)C[C@@H]2CCCN2)ccc1OC(C)C	160905500	DPAIGGYTPSRZSC-ZDUSSCGKSA-N	276.380	2.863	70	20	CFID	
CC1(C)COCCN1C(=O)CCc1ccc(F)cc1F	160963083	NPIJTGVZKOWTOM-UHFFFAOYSA-N	283.318	2.535	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccnc(Cl)c1	159559269	IIUBJTYZNNDBOU-LBPRGKRZSA-N	294.782	2.957	70	20	CFID	
CCC(CC)c1nnc(NC(=O)[C@@H]2CCCCO2)s1	159751797	MUPYMPLRFSVQBC-JTQLQIEISA-N	283.397	2.949	70	20	CFID	
COCCCSc1nnc(COc2ccccc2)n1C	159378693	YBELFZNGDGRWPB-UHFFFAOYSA-N	293.392	2.523	70	20	CFID	
Cc1cc(C)c(NC(=O)[C@H](C)N(C)C[C@@H](C)O)c(Cl)c1	159565756	WBQUCSRBZXAFRY-NEPJUHHUSA-N	298.814	2.596	70	20	CFID	
Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c[nH]c1=O	159587631	YVZFMUMHIJFECQ-UHFFFAOYSA-N	296.248	2.954	70	20	CFID	
CCc1cccc2c1OCC(S(=O)(=O)Cl)=C2	100645399	FRLQSLKCZNBVBV-UHFFFAOYSA-N	258.726	2.551	70	20	CFID	
NCc1ccc(NC(=O)N2CCc3sccc3C2)cc1	218054507	KROOTXIZAFFLEM-UHFFFAOYSA-N	287.388	2.797	70	20	CFID	
CC(C)(C)c1nc2n(c1CS(=O)(=O)Cl)CCCC2	536956345	ZPBSDGCEPLYFKH-UHFFFAOYSA-N	290.816	2.586	70	20	CFID	
COC[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C	161043830	YAUZIIIYKIHCEK-MLGOLLRUSA-N	279.380	2.779	70	20	CFID	
CCCOc1cccc(CN(CCC)CCO)c1	161222298	DZDZQLDHRANMGH-UHFFFAOYSA-N	251.370	2.680	70	20	CFID	
C[C@H](C(=O)NCCCOC[C@@H]1CCCO1)c1ccsc1	160038966	SFNIAFSOXZNRQJ-JSGCOSHPSA-N	297.420	2.554	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCF	160043014	IMFVQHZXTIWLMR-JTQLQIEISA-N	257.736	2.994	70	20	CFID	
Cc1ccc(F)c(S(=O)(=O)NCC2(C3CC3)CC2)c1	160141559	XNRPABHIZGOPBG-UHFFFAOYSA-N	283.368	2.603	70	20	CFID	
c1ccn2c(CN3CCC[C@H](N4CCCC4)CC3)cnc2c1	160548447	AMPHIOWKZADASR-INIZCTEOSA-N	298.434	2.785	70	20	CFID	
CCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H](C)C(C)C	160758243	MPMATAHIOSAYOW-UKRRQHHQSA-N	281.444	2.547	70	20	CFID	
Cc1cccc2c1N(Cc1noc(C3CCOCC3)n1)CC2	160798414	FCFJPKJYHUPZPK-UHFFFAOYSA-N	299.374	2.835	70	20	CFID	
COc1cccc([C@H](C)CC(=O)N[C@H](CO)CC(C)C)c1	160850767	LRUIXTUZRWXPQA-HIFRSBDPSA-N	293.407	2.712	70	20	CFID	
CC(C)CCSCC(=O)N1CCC(NCC2CC2)CC1	159836999	KCAAUPSKZHICJD-UHFFFAOYSA-N	298.496	2.756	70	20	CFID	
N[C@@H](C(=O)NC[C@@H]1CCc2ccccc21)c1ccccc1	159731109	HEARZBUMLJGJIU-DOTOQJQBSA-N	280.371	2.533	70	20	CFID	
c1ccc([C@H]2CSCCN2CCn2ccnc2)cc1	159829878	ITGMPQVHSUEZHE-OAHLLOKOSA-N	273.405	2.673	70	20	CFID	
C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cccnc1	160918014	OMVSSRYJXUBXEX-CFVMTHIKSA-N	278.421	2.787	70	20	CFID	
CCN(C[C@@H]1CCOC1)C(=O)c1cccc(C)c1F	161505260	YKOSFXTWDFFACF-LBPRGKRZSA-N	265.328	2.633	70	20	CFID	
C[C@H]1CC(C)(C)CN1C(=O)c1ccc(S(=O)(=O)F)cc1	864244533	ZWJIXMLIEHKUEY-JTQLQIEISA-N	299.367	2.605	70	20	CFID	
CC[C@H](N)C(=O)Nc1cc(F)ccc1SCC(F)F	161130669	QIFPZQMLVRQVOI-QMMMGPOBSA-N	292.326	2.859	70	20	CFID	
Cn1nccc1CSc1nnc(-c2ccccc2F)[nH]1	161184498	BOHOEZXXZOTDMU-UHFFFAOYSA-N	289.339	2.637	70	20	CFID	
CCc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1	160332302	ZIPOWMFLYRODMU-BLLLJJGKSA-N	284.407	2.815	70	20	CFID	
CC1(C)C[C@H]1C(=O)Nc1ccccc1OCCn1ccnc1	160646094	BDINDANKUHKTSW-ZDUSSCGKSA-N	299.374	2.947	70	20	CFID	
CC(C)(C)OC(=O)c1ccc(CN2CCC[C@H]2CO)cc1	159852124	WHKKDUPBOXWMLL-HNNXBMFYSA-N	291.391	2.599	70	20	CFID	
CC(=O)C[C@H](C)NC(=O)c1csc2c1CC[C@H](C)C2	159964097	DSKZICHQHRJZTH-UWVGGRQHSA-N	279.405	2.970	70	20	CFID	
C[C@H](CC(N)=O)N[C@H]1CCCC[C@@H]1C1CCCCC1	161360008	WQDLJQLKVGXKAF-YUELXQCFSA-N	266.429	2.979	70	20	CFID	
CCOC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218470149	KZQVENHTGRRNPY-XHBSWPGZSA-N	281.396	2.661	70	20	CFID	
Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)Cl	103116087	RIYPKFDUNCOABS-UHFFFAOYSA-N	262.762	2.543	70	20	CFID	
CC(C)NCCC(=O)NCC(C)(C)c1cccc(F)c1	161197081	XDHJZTHEWKZXPQ-UHFFFAOYSA-N	280.387	2.608	70	20	CFID	
CC(=O)NC1CCC(NCCCc2ccccc2)CC1	161213671	ZIXRUEXHZVGWAU-UHFFFAOYSA-N	274.408	2.656	70	20	CFID	
COc1cc(CCNC(=O)NC2(C)CCC2)ccc1C	161478853	OSYPRSCERUDVHI-UHFFFAOYSA-N	276.380	2.788	70	20	CFID	
C[C@H](C(=O)NCCCOC[C@H]1CCCO1)c1cccs1	160037933	RLPUHFNFKPXHMO-QWHCGFSZSA-N	297.420	2.554	70	20	CFID	
Cc1ccc([C@H](CNC(=O)NC2(C)CCC2)N(C)C)cc1	160213223	TYIOSIPSNUIXGI-HNNXBMFYSA-N	289.423	2.840	70	20	CFID	
CCNC(=O)CCCC(=O)Nc1cccc(C(=O)CC)c1	160730268	XASMDILHYJVUOD-UHFFFAOYSA-N	290.363	2.524	70	20	CFID	
CCOc1ccc(N[C@@H](C)C(=O)OC(C)(C)C)cc1CO	160802491	GBYHQLSHAYJWTC-NSHDSACASA-N	295.379	2.720	70	20	CFID	
CCOc1ccccc1CNC(=O)C[C@@H](C)SC	160845161	ILBBRLQYBYNPIU-LLVKDONJSA-N	267.394	2.843	70	20	CFID	
C[C@@H](c1ccccc1F)N(C)C(=O)[C@H]1CCCCO1	160986467	LAGHSUXBUVRIFZ-SMDDNHRTSA-N	265.328	2.914	70	20	CFID	
CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[C@H](O)CC1	160998495	JEBJDMWWIZMJLP-TXEJJXNPSA-N	296.342	2.649	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@H](N)CC(C)C)cc1	159655440	RYIRGXQOUSHHCB-UKRRQHHQSA-N	262.397	2.588	70	20	CFID	
CC[C@](C)(O)CNC(=O)CCc1ccc(Cl)c(OC)c1	159753181	OMKYQTCPIBFYPR-HNNXBMFYSA-N	299.798	2.558	70	20	CFID	
CCCCCN(C)S(=O)(=O)c1ccc(C)cc1	159575833	UVAWJUPCILAUDC-UHFFFAOYSA-N	255.383	2.806	70	20	CFID	
CC[C@H](C(=O)Nc1cccn(C)c1=O)c1ccc(F)cc1	159975992	GDKSMMQHZXQBQP-ZDUSSCGKSA-N	288.322	2.657	70	20	CFID	
Fc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1	159510337	QZRZUIPBBRYRDZ-KFWWJZLASA-N	261.340	2.873	70	20	CFID	
CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H](CN)C1CC1	159709045	HQNWWMLJQNYZEY-ZDUSSCGKSA-N	288.313	2.754	70	20	CFID	
CC1(C)CC[C@@H](COC(=O)c2ccc(F)cc2N)O1	160794652	ZQDQKZJJIGOQCX-JTQLQIEISA-N	267.300	2.522	70	20	CFID	
CCONC(=O)c1ccccc1NC(=O)OC(C)(C)C	160423726	VMOGHYDZAUUBPN-UHFFFAOYSA-N	280.324	2.715	70	20	CFID	
CC[C@@H](COC)NCC(C)(C)N1CCC[C@@H](CC)C1	161023176	HSHIEULLHFUUMY-CABCVRRESA-N	270.461	2.902	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(N(C)C)c(C)c2)CC1	161144682	ZJZDWWCFPJIEKW-UHFFFAOYSA-N	289.423	2.920	70	20	CFID	
CC[C@@H](NC(=O)c1c(C)nn(C)c1C)c1c(C)noc1C	160288714	CZGLCYUJTPQICU-GFCCVEGCSA-N	290.367	2.523	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1	160411623	VMPXUBOCRCOSFY-YOEHRIQHSA-N	286.375	2.954	70	20	CFID	
Cc1nc(CN2CCN(CCC3CCCC3)CC2)oc1C	160490316	DSHNEWFFBJXHQX-UHFFFAOYSA-N	291.439	2.989	70	20	CFID	
CCCCN(CC(F)(F)F)C(=O)CO[C@H](C)CC	160567220	RSDOCGHQODRCRY-SNVBAGLBSA-N	269.307	2.993	70	20	CFID	
CCC(CC)CNC(=O)NC[C@@](C)(O)[C@@H](C)CC	160596107	FSSOWLWTJBHUMR-SMDDNHRTSA-N	258.406	2.519	70	20	CFID	
CSC[C@@](C)(O)CNC(=O)CC[C@@H](C)c1ccccc1	160598717	IMPRWIAKNYFJLK-CJNGLKHVSA-N	295.448	2.801	70	20	CFID	
CC/C(=C/C(=O)NCc1nncn1CC)c1ccc(C)cc1	160663982	AJJYDWYOTFFULH-UVTDQMKNSA-N	298.390	2.716	70	20	CFID	
Cc1ncccc1C(=O)N[C@H](C)CC(=O)c1cccs1	160712836	DOTUXNRPBZNDDX-SNVBAGLBSA-N	288.372	2.843	70	20	CFID	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1	160713773	RXQVGWAXSVCNHZ-BMFZPTHFSA-N	293.455	2.691	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnn(CC)c1	160842829	WYCSEVCVEOENML-TZMCWYRMSA-N	263.385	2.944	70	20	CFID	
C[C@H]1CCC[C@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)C1	159452952	ZBSFGEQTQUJSBT-FZMZJTMJSA-N	284.363	2.780	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCC[C@H]2COC)c1C	159657030	QGHUJQUSJJRPEE-ZDUSSCGKSA-N	294.399	2.634	70	20	CFID	
C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)C[C@@H](C)O	159527213	USMWBDKAQLVBNI-OLZOCXBDSA-N	292.423	2.624	70	20	CFID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccccc1	159778802	DEQNPEYRGMAGAL-OAHLLOKOSA-N	290.388	2.853	70	20	CFID	
CCOCCCN1CCN(C(=O)CC2CCCCC2)CC1	160139187	GMWCZPVNUPKFNH-UHFFFAOYSA-N	296.455	2.528	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCCS1	160997160	NMXLJXDLDWRJOJ-JOYOIKCWSA-N	283.418	2.721	70	20	CFID	
C[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460097077	YWUTXLIPHOYTCE-VHSXEESVSA-N	285.340	2.720	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1CC2(CCC2)C1	460087360	ALKPQCMBBYKLNS-UHFFFAOYSA-N	297.351	2.864	70	20	CFID	
CCC[C@@H](C(=O)NCC(C)(C)CN(C)C)C(C)C	161140321	AGVTVTAKNVTDDV-CYBMUJFWSA-N	256.434	2.763	70	20	CFID	
CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](N)C1	161245426	CJHPCYXSEOCBIB-ULQDDVLXSA-N	288.435	2.887	70	20	CFID	
Cc1ccc(CNC2CCN(Cc3ccccn3)CC2)cn1	161259184	HQKNVEUHFXLEBP-UHFFFAOYSA-N	296.418	2.539	70	20	CFID	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]2CCCNC2)C1	161293159	MXVQTTPSDPQOQW-OAGGEKHMSA-N	286.419	2.699	70	20	CFID	
CCCCCN(C(=O)c1ccc(=O)[nH]n1)[C@@H](C)CCC	161302261	WJTJWMOSAMPHGT-LBPRGKRZSA-N	279.384	2.591	70	20	CFID	
C[C@H](C(=O)NCc1ccncc1)c1c(F)cccc1F	161342696	CLZYDPAFWXOYST-JTQLQIEISA-N	276.286	2.780	70	20	CFID	
Cc1nc(C)c(C)c(NCCCC(=O)OC(C)C)n1	160259458	NBWHEFHQYKIGPB-UHFFFAOYSA-N	265.357	2.546	70	20	CFID	
COCCc1nsc(NCc2ccc(C)cc2OC)n1	160520918	SHPBPYKEOACBQN-UHFFFAOYSA-N	293.392	2.656	70	20	CFID	
COCCC1(C(=O)N(C)c2ccc3c(c2)OCO3)CCC1	160522389	RSYJLAOUWJEKQD-UHFFFAOYSA-N	291.347	2.585	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc(Cl)n1	160580665	JSPMWDUOKIMJJX-CHWSQXEVSA-N	294.782	2.731	70	20	CFID	
CNC[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C	160722131	SXFYJTIDWSUZOH-XJKSGUPXSA-N	274.408	2.822	70	20	CFID	
O=C(NOCc1cccnc1)C1C2CC3CC(C2)CC1C3	160743584	ZIKBIQUIYGBJQV-UHFFFAOYSA-N	286.375	2.702	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1	160881045	MRVSOQHJVXSMDZ-GJZGRUSLSA-N	290.382	2.634	70	20	CFID	
CC(C)CCNC(=O)[C@H](C)Sc1ccncc1	159904268	DLNSHLJRKHSQRW-NSHDSACASA-N	252.383	2.725	70	20	CFID	
COc1cccc(OC)c1CC(=O)NCC1(C2CC2)CC1	159936819	GXBMQKCVAQACCJ-UHFFFAOYSA-N	289.375	2.553	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1cccnc1	159544005	YKXBWLIULHEUPZ-YRGRVCCFSA-N	262.353	2.544	70	20	CFID	
CCCCc1noc([C@@H](C)Nc2cc(C)n(C)n2)n1	159562344	UATIDQZRTNKQKK-SNVBAGLBSA-N	263.345	2.627	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@H]2CCOC2)C1	159579787	IYYWQECHSJPSNO-RYUDHWBXSA-N	277.389	2.798	70	20	CFID	
C[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1c(F)cccc1F	159726122	AHTJYKDTLRMMKP-VHSXEESVSA-N	284.350	2.919	70	20	CFID	
CCn1nc(CNCCOC(C)C)c2ccccc21	160203672	VYFYMNGYZWJMNY-UHFFFAOYSA-N	261.369	2.571	70	20	CFID	
CCN(CCCO)C(=O)c1occc1-c1ccccc1	160465710	FWIWDQJMDBTQPH-UHFFFAOYSA-N	273.332	2.791	70	20	CFID	
CC1CCC(N(C)CCCS(=O)(=O)C(C)C)CC1	160560979	SLFCRSZZQLPQAT-UHFFFAOYSA-N	275.458	2.710	70	20	CFID	
CC[C@@H](C)OCC[C@@H](C)CCS(=O)(=O)Cl	114640343	LGDAIGWCFDFVPQ-NXEZZACHSA-N	256.795	2.786	70	20	CFID	
COc1ccc(CN[C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(OC)c1	217440590	PURYOPZTMZKRHJ-HEHGZKQESA-N	292.423	2.522	70	20	CFID	
C=CCN(C(=O)c1cccc(S(=O)(=O)F)c1)C(C)(C)C	1121130341	CCLBRBPEHHUOCQ-UHFFFAOYSA-N	299.367	2.772	70	20	CFID	
CCOCCC1(C(=O)N(C)Cc2ccncc2)CCC1	160816432	FLJJPGKJBRDOKC-UHFFFAOYSA-N	276.380	2.637	70	20	CFID	
CCc1noc(C)c1CSCC(=O)NCC1CCC1	160015289	KZAKDKDDCANTGQ-UHFFFAOYSA-N	282.409	2.695	70	20	CFID	
C[C@H](Cc1ccccc1Br)NC(=O)NC1CC1	160170578	CNJBYXUGRBEKBO-SECBINFHSA-N	297.196	2.842	70	20	CFID	
O=C(C[C@@H]1CCCN1)Nc1ccccc1OCC1CC1	160527322	CMJHKPJRNWTTKM-ZDUSSCGKSA-N	274.364	2.556	70	20	CFID	
CC(C)COc1cncc(N[C@@H]2CCOC(C)(C)C2)n1	160687326	NOICAZSUJHCIDE-GFCCVEGCSA-N	279.384	2.881	70	20	CFID	
COCCCCNC(=O)N1CCC[C@@H]1c1cccc(C)n1	160738382	LGBQQYOMAAEEQK-OAHLLOKOSA-N	291.395	2.663	70	20	CFID	
Cc1nnc(CSc2nc3ccccc3o2)n1C	160942085	LOFQPEVUEFWLBM-UHFFFAOYSA-N	260.322	2.557	70	20	CFID	
Cc1cc(C(=O)NCc2cccc(OCC(C)C)c2)ncn1	159630213	KKZWSFHVBSXZIN-UHFFFAOYSA-N	299.374	2.750	70	20	CFID	
Cc1cc(C)cc(CCN[C@@H](C)c2cnn(C)c2)c1	159478250	BRNLKNDKXNNTTN-AWEZNQCLSA-N	257.381	2.930	70	20	CFID	
CCOc1ccc(OC(=O)[C@@H]2CCCCO2)cc1	159680283	BTQKCLIXTNWYEB-ZDUSSCGKSA-N	250.294	2.560	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N(C)CCOc1ccc(OC)cc1	159887572	ZJXKREMWZMSTSU-DOTOQJQBSA-N	291.391	2.969	70	20	CFID	
COC(=O)C(C)(C)NCc1ncc(-c2ccccc2F)o1	159528602	JHMSFCSNRCCNLJ-UHFFFAOYSA-N	292.310	2.522	70	20	CFID	
COc1ccc(O)c(NC(=O)c2ccc(F)c(OC)c2)c1	159925650	HLHYEMBMBPDLFP-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160296282	SJCQBGMHPRYJDS-SNVBAGLBSA-N	282.359	2.940	70	20	CFID	
CN(CCOCC1CC1)CCOc1cccc(F)c1	159390598	INEBLENVCFQWLC-UHFFFAOYSA-N	267.344	2.563	70	20	CFID	
CCOC(=O)CCCN(C)Cc1cccc(N(C)C)c1	159809442	LYHPFFLUYQJNQI-UHFFFAOYSA-N	278.396	2.528	70	20	CFID	
CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C)c(F)c(C)c1	160039927	XMEWNJFIGVZQRH-NOZJJQNGSA-N	267.344	2.579	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1CO)c1cc2cc(F)ccc2s1	217999009	BGFLCHKPOBBXAZ-CABZTGNLSA-N	293.363	2.931	70	20	CFID	
COCCC1(CNc2ccc(C(F)(F)F)nn2)CC1	218074169	MUIXATBVILHSTI-UHFFFAOYSA-N	275.274	2.724	70	20	CFID	
Cc1cccc(OCCCCC(=O)NC[C@@H](C)CCO)c1	161035510	XWBJBKCRCNCFBO-HNNXBMFYSA-N	293.407	2.679	70	20	CFID	
COc1ccc(NC(=O)CC[C@H]2CC[C@H](C)O2)cc1N	161250617	SCWGLUXKESNZAZ-CMPLNLGQSA-N	278.352	2.564	70	20	CFID	
C[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)CCS1	160018213	ROOXEIJRBAJCLY-VXGBXAGGSA-N	264.394	2.539	70	20	CFID	
Cc1cccc(-n2cc(C(=O)Nc3cccc(C)n3)nn2)c1	160342147	SVSJXHMTGVPNGW-UHFFFAOYSA-N	293.330	2.531	70	20	CFID	
COc1ccc2c(c1)CCC[C@@H]2N[C@H](CCO)CSC	160361251	PTOLCWQEXOMFOW-CJNGLKHVSA-N	295.448	2.776	70	20	CFID	
CC[C@@H]1COCCN1C(=O)C1CCC(C)(C)CC1	160451130	YIMORJLUHWFDNY-CYBMUJFWSA-N	253.386	2.840	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)o1	160639825	IXUSQOVTQXEAHC-NYCDYWJRSA-N	288.391	2.550	70	20	CFID	
COC(C)(C)C[C@H](C)NC(=O)C[C@H](C)c1ccncc1	160845909	MOLFVCMEAKMLGP-STQMWFEESA-N	278.396	2.895	70	20	CFID	
C[C@H](CC(=O)N(C)CC(C)(C)O)c1ccc(F)cc1F	159628183	MUIDUJIDFAPIEV-SNVBAGLBSA-N	285.334	2.688	70	20	CFID	
Cc1nccc(NC(=O)NCCCC(C)(C)CO)c1Cl	159633449	VOIGAPRDDDDQME-UHFFFAOYSA-N	299.802	2.964	70	20	CFID	
CC[C@@H](C)C[C@H](C)NC(=O)N(C)CC1CCOCC1	159501151	UXDNKOALXSNDPM-OLZOCXBDSA-N	270.417	2.879	70	20	CFID	
CN(C(=O)Nc1cc(F)ccc1F)[C@@H]1CCSC1	159365559	XXXADIPZKNYKKQ-SECBINFHSA-N	272.320	2.934	70	20	CFID	
CC[C@@H](N[C@H](C)c1ccccc1OC(F)F)C(=O)OC	159515816	RSECRCQURUJHTE-MWLCHTKSSA-N	287.306	2.890	70	20	CFID	
O=C(NCC1(CO)CCCC1)[C@H]1CCCc2sccc21	160313720	KGGBTFLYCYHYTN-ZDUSSCGKSA-N	293.432	2.837	70	20	CFID	
CCc1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218757008	XUJMMOVLQKSCCC-KBPBESRZSA-N	277.389	2.731	70	20	CFID	
COC(=O)c1csc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c1	161033767	LZQUOWMIJDTWJG-IUCAKERBSA-N	282.365	2.939	70	20	CFID	
CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CO)CC(C)C	161191440	WGIVUFUDNHQAHK-HOCLYGCPSA-N	293.407	2.676	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)c2cscn2)o1	161301907	MQUPIVSTBAXQSZ-GFCCVEGCSA-N	292.360	2.860	70	20	CFID	
CS[C@H](C)CC(=O)N(C)[C@@H](C)c1cccnc1	161488815	KLMBDKLZQLQINW-MNOVXSKESA-N	252.383	2.743	70	20	CFID	
CSC[C@@H](CCO)N[C@H](CC(C)C)c1ccccn1	160174681	FNIWMZPUYDTAGX-UKRRQHHQSA-N	282.453	2.872	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccccc1N(C)C)[C@@H]1CCCO1	160401992	HWOBZTMVQNZYQO-DOMZBBRYSA-N	291.395	2.832	70	20	CFID	
O=C(NC1(CO)CC1)c1cccc(OC2CCCCC2)c1	160404188	WRNQFKHILSLQLA-UHFFFAOYSA-N	289.375	2.653	70	20	CFID	
CC[C@@H](NC(=O)C[C@H]1CCCCO1)c1c(C)noc1C	160723028	OYOFPEWRHBDULV-CHWSQXEVSA-N	280.368	2.818	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)CCO1	160822904	WPGVAROKULLTNF-FRRDWIJNSA-N	279.405	2.797	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(O)c1	159544872	HLWLYPVPOMFWCQ-BHYGNILZSA-N	279.339	2.769	70	20	CFID	
CN(Cc1nc(C2CC2)no1)OCc1ccccc1	159614718	RVMVBEIMCDNPMO-UHFFFAOYSA-N	259.309	2.511	70	20	CFID	
Cc1nc2c(n1Cc1noc(C(C)C)n1)CCCC2	160735426	JJKWDRBNQGQWTJ-UHFFFAOYSA-N	260.341	2.625	70	20	CFID	
CC(C)(C)C[C@@H](CO)Nc1ccnc(C(C)(C)C)n1	161456553	DEFZKAJIEFMMFD-NSHDSACASA-N	265.401	2.983	70	20	CFID	
C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CC1	776364540	UKRHHPWMRBEETF-VIFPVBQESA-N	285.340	2.720	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cccc(OC)c1OC	217382878	AOKXNJYFELTEMT-ZDUSSCGKSA-N	280.412	2.524	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ccc(COC)cc1	161087988	ACFGAKSVBWAARO-FQEVSTJZSA-N	293.388	3.000	70	20	CFID	
CCCN(CCO)Cc1cccc2c1OC(C)(C)C2	161210974	SGWZRGFZJPVLAG-UHFFFAOYSA-N	263.381	2.604	70	20	CFID	
CC(C)(C)CN(CCCO)CCCN1CCCCC1	161350635	DNSSBGWQCXHZBC-UHFFFAOYSA-N	270.461	2.593	70	20	CFID	
Cc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)ncn1	161381689	YNRXCSJFGOWIGL-HNNXBMFYSA-N	281.359	2.632	70	20	CFID	
Cc1ccc(NC(=O)NCCCN2CCC(C)CC2)cn1	161408885	BDYCYJINTKCTAC-UHFFFAOYSA-N	290.411	2.634	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc2c(c1)CCN2C(C)=O	160035580	VKZPCOXBBDSSBM-RHSMWYFYSA-N	286.375	2.970	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1cccs1	160386869	LKRUEPIQEHUMIV-UHFFFAOYSA-N	271.363	2.581	70	20	CFID	
CCO[C@H](C)C(=O)NCCc1csc(C(C)(C)C)n1	160633651	ILCJMCAGXLNKEB-SNVBAGLBSA-N	284.425	2.524	70	20	CFID	
O=[S@](Cc1nccs1)c1ccc2c(c1)CCC2	160642735	NIMIXHYYRGFYHT-KRWDZBQOSA-N	263.387	2.940	70	20	CFID	
COCCOc1cccc(N[C@H](C)C(=O)OC(C)(C)C)c1	160792648	UCYNICRUWJHTDP-GFCCVEGCSA-N	295.379	2.854	70	20	CFID	
Cc1cc(C)n(CCCNC(=O)N2CC[C@H](C)[C@@H](C)C2)n1	159751001	SHXIWJXNDRKVCB-STQMWFEESA-N	292.427	2.578	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H]1CCCN1CC	159578570	MEZQOEXTHCUHFE-GOEBONIOSA-N	296.455	2.715	70	20	CFID	
CCc1cc(O)nc(CN(C)[C@@H]2CCCC[C@@H]2C)n1	160756791	SKUYTNJXQNWSIB-WCQYABFASA-N	263.385	2.755	70	20	CFID	
COc1cccc(N2N=C3CCCCC[C@@H]3C2=O)c1	160981784	SZSFQYPUPKJYCU-ZDUSSCGKSA-N	258.321	2.978	70	20	CFID	
COc1cc(NCC(=O)NCc2ccccc2)ccc1F	160289223	GBCSJVXFYQNGIJ-UHFFFAOYSA-N	288.322	2.563	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccnc2ccccc12	160368046	ZYBCXDVRCQPEAJ-UHFFFAOYSA-N	279.343	2.846	70	20	CFID	
CCc1nc(CN[C@@H](CC)c2cc(F)ccc2F)n[nH]1	160461303	XUUBTCISOGZOIT-LBPRGKRZSA-N	280.322	2.886	70	20	CFID	
CC[C@H](NC(=O)CC[C@@H]1CCCO1)c1c(C)noc1C	160595274	GCECGGUFYWOHIK-STQMWFEESA-N	280.368	2.818	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)[C@@H]1SCCc2sccc21	160704028	ZLRZKFYQRAEQEB-WCQYABFASA-N	299.461	2.602	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cn1	159828562	PYGJLMIOAYLDOV-CQSZACIVSA-N	274.364	2.612	70	20	CFID	
CC(C)N(CCCNC(=O)NCC1(C2CC2)CC1)C(C)C	159945755	FSDUFCXANHADKR-UHFFFAOYSA-N	295.471	2.985	70	20	CFID	
COc1ncc(C)cc1NC(=O)N(C)CCC1CC1	159593810	PIYDJSOWUOACAL-UHFFFAOYSA-N	263.341	2.662	70	20	CFID	
O=S(=O)(Cl)CCCCOc1ccc(F)cc1F	100495434	CMQSPWYQTTUGLP-UHFFFAOYSA-N	284.711	2.692	70	20	CFID	
CCO[C@@H]1C[C@H](NCC2(CO)CCCC2)C12CCCC2	160087213	RZGHHZOPMYZTFU-LSDHHAIUSA-N	281.440	2.867	70	20	CFID	
C[C@@H](C[C@H]1CCCCCN1)NCC1(N(C)C)CCCC1	160688223	VNGHBVVHLOBLPP-JKSUJKDBSA-N	281.488	2.761	70	20	CFID	
C[C@H](c1ccccc1F)N(C)CCCCS(C)(=O)=O	161490287	JYMDWDXNQQXUMI-GFCCVEGCSA-N	287.400	2.643	70	20	CFID	
CCN(CC)CCNC(=O)NCCc1ccc(Cl)cc1	217308547	NYVWNKNTEPXQJZ-UHFFFAOYSA-N	297.830	2.524	70	20	CFID	
CCC(C#N)(CC)C(=O)Nc1cccc(S(=O)(=O)F)c1	875562578	QZLYUWSKLUQMSF-UHFFFAOYSA-N	298.339	2.613	70	20	CFID	
C[C@@H](c1ccccc1)[C@@H](F)CS(=O)(=O)Cl	1537958951	OWOZSYPVYNHISZ-WPRPVWTQSA-N	250.722	2.697	70	20	CFID	
c1cc(CN[C@@H]2CCN3CCC[C@@H]3C2)c2[nH]ccc2c1	218114098	VQVAROVVPDZSND-HZPDHXFCSA-N	269.392	2.884	70	20	CFID	
CCCCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161039903	ADRILQDKBJPHRG-SOUVJXGZSA-N	258.365	2.814	70	20	CFID	
Cc1ccc(CNC(=O)NCc2ccccc2CO)c(C)c1	161129340	QFBZNRJFBYXMBG-UHFFFAOYSA-N	298.386	2.795	70	20	CFID	
CC(C)[C@H](NCCc1ccc2c(c1)OCO2)C1CC1	161149740	MDGZATWEMXQKNY-INIZCTEOSA-N	261.365	2.982	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1C	160104298	WRBXWMQPLYDCJY-KBPBESRZSA-N	298.427	2.938	70	20	CFID	
CC(C)OC(=O)CCCNc1ccnc(C(C)C)n1	160256171	VCNZYBCLOANDHV-UHFFFAOYSA-N	265.357	2.744	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCc2cccnc2-n2cccn2)C1	160279197	FWWHMACHIBOAMS-ZIAGYGMSSA-N	298.390	2.710	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(C)c(Cl)c1	160284524	FGVRXLZBPAVLIV-JTQLQIEISA-N	283.755	2.720	70	20	CFID	
C[C@H](CC1CC1)NC(=O)NCCOc1ccc(Cl)cn1	160405552	PMIMAWQXODGSJP-SNVBAGLBSA-N	297.786	2.602	70	20	CFID	
O=C(Nc1cccc(NC(=O)[C@@H]2CCCCO2)c1)C1CC1	160871411	VJVXLFYCRLENLB-AWEZNQCLSA-N	288.347	2.543	70	20	CFID	
COc1cc(OC)c(N[C@H](C)CCn2cccn2)cc1F	159472616	MTQQJWFUUZBWNQ-LLVKDONJSA-N	293.342	2.930	70	20	CFID	
CCN(CC(F)(F)F)C(=O)C[C@@H](C)c1ccncc1	159682021	ZWLVFIKVDZVRCY-SNVBAGLBSA-N	274.286	2.986	70	20	CFID	
CC(C)OC(=O)[C@@H]1COc2ccc(Br)cc21	159386156	KZKBTCLCIMUMOA-SNVBAGLBSA-N	285.137	2.877	70	20	CFID	
COC[C@H](NC(=O)CCCn1cccc1)c1ccc(C)o1	159781740	WNMKRXVSJQSLJW-AWEZNQCLSA-N	290.363	2.674	70	20	CFID	
CC(=O)C[C@@H](C)NC(=O)c1csc2c1CC[C@H](C)C2	159964340	DSKZICHQHRJZTH-VHSXEESVSA-N	279.405	2.970	70	20	CFID	
O=C(NCC1CC1)NOCc1ccc(C(F)(F)F)cc1	161044527	ZRKIYEBJHCILLN-UHFFFAOYSA-N	288.269	2.846	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCc1cnn(C)c1	161060614	RLGUAZPINIDILP-LSDHHAIUSA-N	277.412	2.780	70	20	CFID	
Cc1cccc(C(C)(C)NC(=O)CCNC(C)C)c1	161162155	HBWAANKQTDFAHI-UHFFFAOYSA-N	262.397	2.734	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161172705	YDVVRQNEWDNKNC-KFWWJZLASA-N	292.423	2.776	70	20	CFID	
O=C(N[C@@H]1CCC[C@H]1O)C1(c2cccc(F)c2)CCCC1	161264674	ULMNVKDJBXQYMS-HUUCEWRRSA-N	291.366	2.667	70	20	CFID	
CNC[C@H](C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	161334753	QNZBSHLJDYVNHU-NSHDSACASA-N	294.370	2.941	70	20	CFID	
COC(=O)c1ccc(NC(=O)NC2CC=CC2)cc1C	160032036	QOUDRJYXPKDCRT-UHFFFAOYSA-N	274.320	2.622	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)c1cc2cc(Cl)ccc2[nH]1	160757596	KHMGNABXUFRBMH-GFCCVEGCSA-N	294.782	2.958	70	20	CFID	
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)C1	160764629	JRZPMKAXCLATHS-BFHYXJOUSA-N	296.411	2.550	70	20	CFID	
Cc1cc(NC(=O)Cn2c(C)cc3ccccc32)c[nH]c1=O	159418273	AIDPMEGLGHYDAS-UHFFFAOYSA-N	295.342	2.585	70	20	CFID	
CCOc1cccc(CNC(=O)C[C@H](C)SC)c1	159610462	GFEVKPAXTUIXKC-NSHDSACASA-N	267.394	2.843	70	20	CFID	
Cc1ccoc1C(=O)N(C)CCOCc1ccccc1	159426238	VLCNAMXOZRGIBI-UHFFFAOYSA-N	273.332	2.877	70	20	CFID	
CC1(C)CCC(C(=O)N2CCOCC2(C)C)CC1	159444622	PMMLBCPQAJXKBQ-UHFFFAOYSA-N	253.386	2.840	70	20	CFID	
C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1F	159469170	WARAQALRVKPGON-ZUZCIYMTSA-N	290.313	2.842	70	20	CFID	
CO[C@@H](C)CC(=O)N[C@H]1CCCc2sccc21	159902778	CGERZMXYEFCRAE-ONGXEEELSA-N	253.367	2.667	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1ccco1)N1CCCC1	159560427	CPKRSQIWPUQTPW-GRDNDAEWSA-N	290.407	2.969	70	20	CFID	
C[C@@H](c1cccc(Br)c1)N(C)C[C@@H](C)O	159399521	BWSOHOQKCFZZLB-ZJUUUORDSA-N	272.186	2.823	70	20	CFID	
NC1(CNC(=O)[C@H]2CSc3ccccc32)CCCCC1	159682828	NGMTWWJWQVFIFC-ZDUSSCGKSA-N	290.432	2.654	70	20	CFID	
C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(CN)o1	159770975	NOWSXEYKPZECSF-JTQLQIEISA-N	252.358	2.683	70	20	CFID	
O=C(NCCNC1CC(c2ccccc2Cl)C1)C1CC1	160705154	XSVHXAJZDPVBAT-UHFFFAOYSA-N	292.810	2.702	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ccc(F)cc1	161036236	KVOYHRQFRNZQCR-SFHVURJKSA-N	267.325	2.992	70	20	CFID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCCCCC1	865205621	HUWWPHRJOUGMJQ-UHFFFAOYSA-N	299.367	2.751	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCNC(=O)CC(C)C	161305786	GZOOXHGEGFGJFC-LSDHHAIUSA-N	296.455	2.966	70	20	CFID	
C[C@@H](NC1CCN(C)CC1)c1ccc(F)cc1N(C)C	161505721	OXQRBTJCQUDELE-GFCCVEGCSA-N	279.403	2.637	70	20	CFID	
Cc1ccsc1CCCC(=O)Nc1ccn(C)n1	160073118	VUGVIOMAHQBVMS-UHFFFAOYSA-N	263.366	2.751	70	20	CFID	
COCCCC(=O)N(C)c1ccc(OC)c(Cl)c1	160286083	ICOYTQXIWIDZTR-UHFFFAOYSA-N	271.744	2.738	70	20	CFID	
O=C(Nc1ccc(CC(F)(F)F)cc1)[C@@H]1CCCNC1	160304364	OOSKZVCPSXAWQA-LLVKDONJSA-N	286.297	2.730	70	20	CFID	
CC[C@H](COC)NC[C@H](C1CCCCC1)N(C)C	160418724	AESASXQHYYRRCG-HUUCEWRRSA-N	256.434	2.512	70	20	CFID	
C[C@H](NC[C@@H](C1CCCCC1)N(C)C)C1CCN(C)CC1	160422227	VDVFQNGOUAJVTJ-YJBOKZPZSA-N	295.515	2.817	70	20	CFID	
CCCN(CCN(CC)CC)C(=O)Nc1ccccn1	160534168	DCHWVQSGGWEXJA-UHFFFAOYSA-N	278.400	2.667	70	20	CFID	
CC[C@@H](C)NC(=O)NC[C@H](C)COc1ccccc1OC	160569156	HVUGJJVFFHWYQM-QWHCGFSZSA-N	294.395	2.808	70	20	CFID	
CC(C)CSCCCNC(=O)c1ccc(NC=O)cc1	160679474	DKQSJMAOFSBFOA-UHFFFAOYSA-N	294.420	2.764	70	20	CFID	
COC[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1F	160892411	SZKSLFLSLAENAN-ZDUSSCGKSA-N	283.318	2.535	70	20	CFID	
Cc1cc(NC(=O)c2cccc(-n3cccc3)c2)c[nH]c1=O	159607264	YHCPTYLQOHJSKK-UHFFFAOYSA-N	293.326	2.726	70	20	CFID	
CC[C@H](CCO)NC(=O)CC1CCC(C)(C)CC1	159454392	NIJHVEYXVHNAPR-CYBMUJFWSA-N	255.402	2.870	70	20	CFID	
CCOC(=O)CN(CC(C)C)C(=O)c1oc(CC)cc1C	159705246	COGRPDLEQIZFES-UHFFFAOYSA-N	295.379	2.812	70	20	CFID	
CC(C)[C@@H](O)CNC(=O)c1ccc(SC(F)F)cc1	159718503	PETONQBKXDRVTD-NSHDSACASA-N	289.347	2.748	70	20	CFID	
CCN1CCCN(C(=O)NCC2(CC)CCCC2)CC1	159990531	BVFNREDIZKHIGW-UHFFFAOYSA-N	281.444	2.694	70	20	CFID	
O=C(NCC1(CO)CCCC1)Nc1ccc(F)cc1F	160338424	LKOHRYVUTVWHPJ-UHFFFAOYSA-N	284.306	2.639	70	20	CFID	
C[C@H](CO)N(C)C(=O)CCc1ccc(C(C)(C)C)cc1	160561010	ZPSKEWVDXRNQHR-CYBMUJFWSA-N	277.408	2.756	70	20	CFID	
O=C(NOCc1ccc(C(F)(F)F)cc1)C1CC1	160638944	LYQIZCNMIKHYCG-UHFFFAOYSA-N	259.227	2.663	70	20	CFID	
O=S(=O)(Cl)CCCOCc1ccc(Cl)cc1	114669425	YZDPMFCMZQXNCY-UHFFFAOYSA-N	283.176	2.815	70	20	CFID	
COc1cccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c1OC	218698519	FOJCGKDDURMKAY-RYUDHWBXSA-N	273.332	2.637	70	20	CFID	
COc1ccc(C(=O)NC[C@@H](C)C2CC2)c(F)c1	218763291	SPFYDACBQQKMKP-SECBINFHSA-N	251.301	2.610	70	20	CFID	
CCCN(CCNCC(C)C)C(=O)OC(C)(C)C	218124741	BPXTYIPWADWWQY-UHFFFAOYSA-N	258.406	2.879	70	20	CFID	
C[C@H](CCO)CNC(=O)c1cccc(OC2CCCC2)c1	161027948	HJDQMPJOPYMEEE-CYBMUJFWSA-N	291.391	2.756	70	20	CFID	
CC[C@H](C)NCc1ccccc1CN1CCC(O)CC1	161204642	WBTISJNVAYBUJH-AWEZNQCLSA-N	276.424	2.531	70	20	CFID	
CCCSCC(=O)Nc1cc(C2CC2)nc(C)n1	160037158	PNXSWUORMFAFQH-UHFFFAOYSA-N	265.382	2.744	70	20	CFID	
C[C@H](NC(=O)C(C)(C)F)c1noc(-c2ccccc2)n1	160119996	CWXKRKSRXGMKHM-VIFPVBQESA-N	277.299	2.662	70	20	CFID	
CC(C)CNC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1	160188061	FEHXOQVZUXOSCV-YPMHNXCESA-N	282.409	2.876	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H]1CCc2ccccc21	160555389	XNYWCTIOWSSMTI-TZMCWYRMSA-N	289.375	2.564	70	20	CFID	
CC1(C)CCC(C(=O)Nc2cnn(-c3ncccn3)c2)CC1	160601196	VLZCGKBYEWGBOQ-UHFFFAOYSA-N	299.378	2.817	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCCc1ccccn1	160606157	ISLGTDJRDYEKQC-UHFFFAOYSA-N	286.379	2.612	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccnc(N2CCCC2)c1	160831071	OTZCYQUDIMTLHF-RHSMWYFYSA-N	287.407	2.734	70	20	CFID	
CC(C)[C@@H](O)CNC(=O)C(C)(C)c1cccc(Cl)c1	159686342	DIRXELPXLQDPCR-ZDUSSCGKSA-N	283.799	2.751	70	20	CFID	
COCC(C)(C)NC(=O)Cc1ccc(F)cc1Cl	159896232	QFJFTKCJCNUFFL-UHFFFAOYSA-N	273.735	2.563	70	20	CFID	
C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C)C1)c1cccnc1	159902931	ZVWQIICQTZDNSF-AVGNSLFASA-N	261.369	2.830	70	20	CFID	
CC(C)NCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159718142	PDCSQWHNDWLGFK-JKSUJKDBSA-N	274.408	2.827	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)N(C)C	159534496	JXWUQVZIRMOCHX-NEPJUHHUSA-N	280.437	2.616	70	20	CFID	
Cc1cc(NC(=O)c2cnc(C(C)(C)C)s2)c[nH]c1=O	159543814	MQLIOPMDZBCIQQ-UHFFFAOYSA-N	291.376	2.690	70	20	CFID	
Cc1nccc(NC(=O)N[C@@H](CO)CC(C)(C)C)c1Cl	159388207	CVNINKQTQLRRDL-SNVBAGLBSA-N	299.802	2.962	70	20	CFID	
COC[C@@H](NC(=O)N1CCc2cccc(F)c2C1)C(C)C	159397922	VWPXHWMCUHXPHL-OAHLLOKOSA-N	294.370	2.564	70	20	CFID	
CCO[C@@H]1C[C@@H](NCC2(CO)CCCC2)C12CCCC2	160087455	RZGHHZOPMYZTFU-HUUCEWRRSA-N	281.440	2.867	70	20	CFID	
O=C([C@@H]1CCCCO1)N(Cc1ccccc1)C1CC1	160707409	GANJWIYGWHDGRA-HNNXBMFYSA-N	259.349	2.747	70	20	CFID	
C1CC[C@@H]2C[C@H](NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@H]2C1	217753210	GGLYAOIZHDUZTF-DUQPFJRNSA-N	292.467	2.798	70	20	CFID	
CC[C@H](CCO)NC(=O)CSCc1ccc(C)cc1	160125118	TXXNTUAPQMWVMS-CQSZACIVSA-N	281.421	2.505	70	20	CFID	
C=CCCCC(=O)Nc1cccc(S(=O)(=O)F)c1	460097346	ZJJWQXDLHGRLPH-UHFFFAOYSA-N	271.313	2.640	70	20	CFID	
CCc1cc(C(=O)NC[C@H](C)N(C)C2CC2)cc(Cl)n1	217807522	RDRWLJQZJZFJLY-JTQLQIEISA-N	295.814	2.510	70	20	CFID	
Cc1nnc2c(NC[C@@H]3CCC[C@@H](C)C3)nccn12	218050010	BHEOJMUSWNOKBH-ZYHUDNBSSA-N	259.357	2.671	70	20	CFID	
O=C(NC1CC=CC1)c1c(F)c(F)cc(F)c1F	161001132	XUJYYAXGCFJCMD-UHFFFAOYSA-N	259.202	2.691	70	20	CFID	
CCN(Cc1ccccc1C)C(=O)[C@H]1CCCCO1	161223839	KOPDVDWELFMULA-OAHLLOKOSA-N	261.365	2.913	70	20	CFID	
Cc1occc1C(=O)NC[C@H](C[C@H](C)O)c1ccccc1	160014960	KYVVEXXEZSUCHG-WFASDCNBSA-N	287.359	2.873	70	20	CFID	
CCCCS[C@H](C)C(=O)NCCc1cccc(O)c1	160235436	IOPGMVKFVPVEOB-GFCCVEGCSA-N	281.421	2.973	70	20	CFID	
Cc1c(C(=O)Nc2nc3ccccc3[nH]2)cnn1CC(C)C	160569309	WVIWPYRRYCIVBM-UHFFFAOYSA-N	297.362	2.976	70	20	CFID	
COc1cc(C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1O	160879729	MBHHSLODDFWRDN-PWSUYJOCSA-N	293.363	2.718	70	20	CFID	
COc1ncc(C)cc1NC(=O)C[C@@H](C)c1ccncc1	160973756	JOAFYNJWLQSBPX-GFCCVEGCSA-N	285.347	2.926	70	20	CFID	
CC(C)[C@@H](O)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1	159407215	SGXOIVCCERJDTQ-LSDHHAIUSA-N	293.407	2.676	70	20	CFID	
O=C(C[C@@H]1C=CCC1)N[C@H]1CCOC2(CCCC2)C1	159422428	YHCYQRYCUSOWPM-KGLIPLIRSA-N	263.381	2.951	70	20	CFID	
CC[C@H](CC(=O)NCC1(N)CCCCC1)C(C)C	159475599	BRDWHALJHMFCCX-CYBMUJFWSA-N	254.418	2.837	70	20	CFID	
CCCCN(C)CCNC(=O)[C@@H](C)c1cccs1	159951853	RKLKJHJASSEUCL-LBPRGKRZSA-N	268.426	2.700	70	20	CFID	
C/C(=C/c1ccccc1)CN1CCC(CC(N)=O)CC1	159791582	MRFBDYAQULQGPL-KAMYIIQDSA-N	272.392	2.677	70	20	CFID	
Cc1ccc(C)c2c1C=C(S(=O)(=O)Cl)CO2	100645323	ZYZPYAONCNPBNR-UHFFFAOYSA-N	258.726	2.605	70	20	CFID	
COc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159616913	GEFCQYZJMLABQL-XHSDSOJGSA-N	273.376	2.742	70	20	CFID	
CCN1CCC(CNC(=O)c2cccc(C)c2F)CC1	161489322	NVFYUQHISVODJW-UHFFFAOYSA-N	278.371	2.596	70	20	CFID	
COc1ccccc1C[C@H](C)N[C@@H]1CCN2CCCC[C@@H]12	218125374	NMBKRJLHZOPLHP-UAGQMJEPSA-N	288.435	2.843	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H](C)[C@@H]2CCOC2)C1	161015084	MYBXBLJOMPCEBN-HRCADAONSA-N	282.472	2.902	70	20	CFID	
CC(C)c1ncc(C(=O)N(C)CCc2ccccn2)s1	161028276	KMWNUNWDZUDWKC-UHFFFAOYSA-N	289.404	2.976	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ncn1	161171407	QAVCYLFEOFDYGI-LBPRGKRZSA-N	269.348	2.536	70	20	CFID	
Cc1ccc(-n2nc(C(C)C)cc2NC(=O)[C@@H](C)N)cc1	161295988	BKFFHUDBNRXFRM-GFCCVEGCSA-N	286.379	2.590	70	20	CFID	
CCCC(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F	160104374	PRDYJYLGLSYMCI-LLVKDONJSA-N	278.274	2.984	70	20	CFID	
CCCCOCC(=O)N[C@H]1CCc2c(OC)cccc21	160118846	WDFJDQWTVIJGIE-AWEZNQCLSA-N	277.364	2.615	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H]1C1CCC1	160128212	BATWUUTXVAPHBP-AWEZNQCLSA-N	296.411	2.692	70	20	CFID	
O=C([C@H]1CCCCO1)N(Cc1ccc(F)cc1)C1CC1	160221962	HEFJDYNHPNPXPI-OAHLLOKOSA-N	277.339	2.886	70	20	CFID	
CCOC[C@@H]1CCCN(Cc2cnc3ccccn23)C1	160410874	ACWFKFZXCKRKFC-CQSZACIVSA-N	273.380	2.583	70	20	CFID	
C[C@H](Oc1ccccc1)C(=O)N(C)c1ccc2c(c1)OCO2	160523777	UHDZWVNALCVYLF-LBPRGKRZSA-N	299.326	2.846	70	20	CFID	
CCCN(CCN(CC)CC)C(=O)Nc1ccncc1	160543658	GMPCKYSRGAMBTG-UHFFFAOYSA-N	278.400	2.667	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccccn1	160558431	MXMIHUWJYBLEBA-CYBMUJFWSA-N	274.364	2.693	70	20	CFID	
Cc1cc(C(=O)NC[C@H]2CCCN2CC(C)C)oc1C	160575709	RIWBGCGZQFXGSM-CQSZACIVSA-N	278.396	2.747	70	20	CFID	
Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)C	160637115	FTWFCEWVERSTMZ-UHFFFAOYSA-N	263.728	2.536	70	20	CFID	
C[C@H]1CCCN(C(=O)N(C)CCC(F)(F)F)C1	160638381	GWQVTDDQABVBFW-VIFPVBQESA-N	252.280	2.723	70	20	CFID	
CC[C@@H](O)CCNC(=O)NCCCSc1ccccc1	160684075	GFBOKKOGUVFBJF-CYBMUJFWSA-N	296.436	2.629	70	20	CFID	
CC[C@@H](O)CCNC(=O)N[C@@H](C)c1cc(C)ccc1OC	160803095	LTJWZPDGGOJNIS-QWHCGFSZSA-N	294.395	2.525	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2ccccc2s1	160857300	GANUWXHHJGQMBF-SNVBAGLBSA-N	291.372	2.973	70	20	CFID	
O=C(CCC1CC1)Nc1cccn(CC(F)(F)F)c1=O	159623185	DMUCONKGFWXIEM-UHFFFAOYSA-N	288.269	2.539	70	20	CFID	
CC(=O)CSCc1noc(C2CCCCC2)n1	159847410	LJEJLHVWBKLOCY-UHFFFAOYSA-N	254.355	2.940	70	20	CFID	
NC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCCCC1	159466850	IQTVMLBTJJKHDK-CABCVRRESA-N	290.382	2.707	70	20	CFID	
Cc1ccccc1OCC(=O)NCC1(C2CC2)CC1	159678954	AUCJNMDLHUDAJY-UHFFFAOYSA-N	259.349	2.680	70	20	CFID	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1CCC(C)(C)CC1	159496135	UKFFYXSMXFTXTK-NEPJUHHUSA-N	282.428	2.622	70	20	CFID	
C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccn1	159391340	QOBWZCSANSFBAD-CZUORRHYSA-N	281.359	2.538	70	20	CFID	
Cc1ccccc1[C@@H](C)NCCCN1CCCC1=O	159544901	SSCIJMKVUZOHSN-CQSZACIVSA-N	260.381	2.658	70	20	CFID	
O=C1OCC[C@@H]1CCOc1ccc(Cl)c(F)c1	161146645	QUVDFCRAGHEHFF-QMMMGPOBSA-N	258.676	2.811	70	20	CFID	
O=c1ccc(-c2ccccc2F)nn1Cc1nccs1	161314291	ITPMIMRRNXRDST-UHFFFAOYSA-N	287.319	2.554	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CC[C@@H](N)C1	161414154	QIMODDQJTWDESI-CHWSQXEVSA-N	272.348	2.519	70	20	CFID	
CCCCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160252490	DHRPSERQXVBGLU-AWEZNQCLSA-N	278.352	2.776	70	20	CFID	
COc1cc(C)cc(CNC(=O)N[C@H]2C=CCCC2)c1	160267888	YWISRBOHGFMVTF-AWEZNQCLSA-N	274.364	2.912	70	20	CFID	
CC[C@H](NC(=O)c1c(C)nn(C)c1C)c1c(C)noc1C	160288583	CZGLCYUJTPQICU-LBPRGKRZSA-N	290.367	2.523	70	20	CFID	
CC[C@@H](COC)NC[C@H](CC)Oc1ccccc1F	160334569	WFGJNLSADLUECE-STQMWFEESA-N	269.360	2.998	70	20	CFID	
C[C@H]1CC[C@H](NC(=O)N(C)Cc2cccn2C)[C@H](C)C1	160450400	FIONXFQQLBWSOB-GUTXKFCHSA-N	277.412	2.991	70	20	CFID	
CCCCn1ncc(C(=O)Nc2cccnc2)c1C	160597315	IRVBRUMFSBYUSF-UHFFFAOYSA-N	258.325	2.639	70	20	CFID	
CS[C@@H]1CCCCN(C(=O)C2=C(C)OCCC2)C1	160775028	ZKHWMDZNKQKBJS-GFCCVEGCSA-N	269.410	2.815	70	20	CFID	
CC(C)CN(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CC1	160936543	BBIUIASSANNQSI-KFWWJZLASA-N	292.423	2.774	70	20	CFID	
Cc1ccc(C)c(-n2ccnc2SCc2nncn2C)c1	160993121	KHRCDSNVDMBTKQ-UHFFFAOYSA-N	299.403	2.910	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2ccnc2C1	159817463	PKPHOGNKRAVKPR-MCIONIFRSA-N	275.396	2.531	70	20	CFID	
CC1(C)C[C@H](NCc2cn3ccccc3n2)C(C)(C)O1	159434728	FKTJRHFCZIPWCR-ZDUSSCGKSA-N	273.380	2.770	70	20	CFID	
CSCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C	159655108	WEZPYHDILBUWDO-VHSXEESVSA-N	255.408	2.639	70	20	CFID	
Cc1ccccc1CNC(=O)c1cccc(-n2ccnn2)c1	159517018	NVGLMYJBDUFYTJ-UHFFFAOYSA-N	292.342	2.506	70	20	CFID	
Cc1noc(Cl)c1CC(=O)Nc1ccccc1N(C)C	159993747	ICZDORHCPFCDMO-UHFFFAOYSA-N	293.754	2.884	70	20	CFID	
CC(C)C(=O)NCCCN[C@H]1CCCc2ccccc21	159971540	RZSXJQHDZOFDEL-INIZCTEOSA-N	274.408	2.816	70	20	CFID	
CC[C@](C)(O)CN1CCC[C@H](CN2CCCC[C@@H]2C)C1	161112368	VUMNEGCRAFZASS-ULQDDVLXSA-N	282.472	2.734	70	20	CFID	
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337759828	NLSUMRTUVQGWTF-ZETCQYMHSA-N	293.747	2.527	70	20	CFID	
C[C@H]1CCCCN1C(=O)NCCc1cccc(F)c1	217440834	VHYSMELYNDGTBC-LBPRGKRZSA-N	264.344	2.952	70	20	CFID	
Cc1cc(C)c(CNC(=O)N2CCC[C@@](C)(O)C2)c(C)c1	161268962	RCJAINJNYFETGB-QGZVFWFLSA-N	290.407	2.668	70	20	CFID	
CCOCCC1(CNC(=O)CCc2ccncc2)CCC1	161372643	IQYGQBBYIDMXLO-UHFFFAOYSA-N	290.407	2.727	70	20	CFID	
O=C(c1cccc(NCc2ccccn2)c1)N1CCCC1	160064305	SWGAYIIFSUQMBD-UHFFFAOYSA-N	281.359	2.930	70	20	CFID	
O=C(c1cccc(NCC2=CCCOC2)c1)N1CCCC1	160090126	XEFZJSBAHPTIPB-UHFFFAOYSA-N	286.375	2.681	70	20	CFID	
Cc1cc(F)cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1	160643820	ZKCNUONOSPAMJB-UHFFFAOYSA-N	297.355	2.781	70	20	CFID	
Cc1ccc(CCC2CCN(Cc3nncn3C)CC2)cc1	160732036	GVDUDZOANORVBS-UHFFFAOYSA-N	298.434	2.968	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)C2CCC2)n1	160954801	UQNIBHVMLLCCJS-UHFFFAOYSA-N	270.336	2.773	70	20	CFID	
CC[C@@H]1CCC[C@H](NC(=O)N2CCCN(CC)CC2)C1	159894389	WEJCGXJPTVUPAK-CABCVRRESA-N	281.444	2.692	70	20	CFID	
CC[C@@H](NCCCn1ccc2ccccc21)C(=O)OC	159486897	LFNGFEYRHYELKI-CQSZACIVSA-N	274.364	2.573	70	20	CFID	
COc1ccc(CC(=O)NCC2(C3CC3)CC2)cc1F	159910725	AXYMGTYNWCZJLA-UHFFFAOYSA-N	277.339	2.683	70	20	CFID	
CC(C)[C@@H](O)CNC(=O)CCc1ccc2ccccc2c1	159729168	OSSCFAQOQWOKNV-KRWDZBQOSA-N	285.387	2.906	70	20	CFID	
CC(C)C[C@@H](C)OCCC(=O)N1CCC[C@@H]1C(C)(C)O	159934533	VUNCIQKSSGQVKH-ZIAGYGMSSA-N	285.428	2.590	70	20	CFID	
CC(C)N1CC[C@@H](CNc2nnc(C(F)(F)F)s2)C1	160167053	FMHANQGLFOFLGJ-QMMMGPOBSA-N	294.346	2.699	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1F	161465308	HJZDQLYWMFLYJC-KGLIPLIRSA-N	277.339	2.918	70	20	CFID	
CCOc1ccc(CNC(=O)NCCCOC(C)C)cc1	217300902	DUFOXJQMSLPEBX-UHFFFAOYSA-N	294.395	2.700	70	20	CFID	
CN1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1	160107064	RJRPEPVHYDWBMH-AWEZNQCLSA-N	266.429	2.661	70	20	CFID	
C[C@@H](CNCc1ccc2[nH]ccc2c1)N(C)C1CC1	217548499	QTGYRQQAWYVYHD-LBPRGKRZSA-N	257.381	2.740	70	20	CFID	
Cc1cc(S(=O)(=O)Cl)cc(C(=O)Cl)c1Cl	159133167	UEQAJUPZTQPNDV-UHFFFAOYSA-N	287.551	2.955	70	20	CFID	
COCC[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	161146625	ATMWVINNXLKSHG-PXAZEXFGSA-N	291.391	2.924	70	20	CFID	
COc1ccc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1N	161250728	SCWGLUXKESNZAZ-PWSUYJOCSA-N	278.352	2.564	70	20	CFID	
CC1(C)CCC(CC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CC1	161276769	NRQLHKWAKWHDSZ-UONOGXRCSA-N	294.439	2.753	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)Cc1cnn(C)c1	161314644	PYYXFXVNUHFIBO-CHWSQXEVSA-N	289.404	2.552	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCCCSC)o1	160184478	HIRDEQMTVUBQIO-BQYQJAHWSA-N	253.367	2.725	70	20	CFID	
CCCN(CC(=O)N(C)C)C(=O)CC1CCC(C)(C)CC1	160193017	ZFHHDMILYSPTSO-UHFFFAOYSA-N	296.455	2.920	70	20	CFID	
CC[C@@H](C)NCc1ccc(CN2CCN(CC)CC2)cc1	160323828	ZYEYTMYYAJDJNI-MRXNPFEDSA-N	289.467	2.712	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)Cc1ccc2ccccc2c1	160525241	SFPIPKHNDXJASW-KRWDZBQOSA-N	285.387	2.906	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCc1cccnc1	160525820	IAEBBIINLCRTEL-UHFFFAOYSA-N	272.352	2.569	70	20	CFID	
Cc1ccc2ncc(CN[C@H]3CCOC(C)(C)C3)n2c1	160616133	RDEFYQSESXSAMG-ZDUSSCGKSA-N	273.380	2.690	70	20	CFID	
CCc1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)oc1CC	160637446	JESXLFWOOMGMBO-QWRGUYRKSA-N	265.353	2.654	70	20	CFID	
O=[S@@](Cc1nccs1)c1ccc2c(c1)CCC2	160642621	NIMIXHYYRGFYHT-QGZVFWFLSA-N	263.387	2.940	70	20	CFID	
CCCCN(C)C(=O)CSc1cc(CC)nc(C)n1	160699203	KTAVZDXFUHHFPF-UHFFFAOYSA-N	281.425	2.698	70	20	CFID	
COCCCCNC(=O)NCC1CCC(C)(C)CC1	159822897	GCQWJWXPOFFFNR-UHFFFAOYSA-N	270.417	2.929	70	20	CFID	
Cc1cc(C)n(CCCNc2ccc(C(F)(F)F)nn2)n1	159869255	NIRFXLSTGPTGAQ-UHFFFAOYSA-N	299.300	2.811	70	20	CFID	
Cc1ncccc1NC(=O)c1ccc(N(C)C)cc1F	159574847	DFSCMFREQFSUQL-UHFFFAOYSA-N	273.311	2.847	70	20	CFID	
CCOCCC1(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1	159399109	BBGDKKONTFJRAD-CHWSQXEVSA-N	277.364	2.706	70	20	CFID	
C[C@H](N[C@@H](C)c1c(F)cccc1F)C(=O)NC(C)(C)C	159725860	AHTJYKDTLRMMKP-UWVGGRQHSA-N	284.350	2.919	70	20	CFID	
CC[C@](C)(O)CN1C[C@H](C)O[C@H](c2ccccc2)C1	160693809	YQHLPBGXLCPWIE-BPUTZDHNSA-N	263.381	2.609	70	20	CFID	
C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cnn(C)c1	160866585	WMGHNYFKUHKADC-HUUCEWRRSA-N	286.423	2.591	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccccc1	144285114	XOHGHRZHZLSAQK-UHFFFAOYSA-N	279.292	2.597	70	20	CFID	
O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)F)c1	1336413909	RNJMJJJJJVVWED-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
C[C@@H](O)[C@@H](C)Sc1cc(Cl)nc(C2CC2)n1	218048315	LFJGSQUUXLLAHD-RNFRBKRXSA-N	258.774	2.869	70	20	CFID	
Cn1nc(CNCCSC(F)(F)F)c2ccccc21	218122126	HXHGVYZVNLDKJO-UHFFFAOYSA-N	289.326	2.916	70	20	CFID	
O=C(Cc1ccc(Br)cc1)OCCF	218573673	AKTKDRKFJOCGAZ-UHFFFAOYSA-N	261.090	2.504	70	20	CFID	
O=c1onc(-c2cccnc2)n1CCCc1ccccc1	161300084	QRRNQXHXKYOLHL-UHFFFAOYSA-N	281.315	2.531	70	20	CFID	
Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[C@@H](N)C1	161386024	GQTSWSGHOQJIQX-KGLIPLIRSA-N	299.374	2.650	70	20	CFID	
Cc1cc(C[C@H](C)Nc2nc(C(C)(C)C)ns2)n[nH]1	160016333	OHWAORZCQOJGNQ-QMMMGPOBSA-N	279.413	2.910	70	20	CFID	
Cc1ccc([C@@H]2[C@H](C)CCCN2S(C)(=O)=O)cc1	160338524	MWCONCKQIXQKHY-OCCSQVGLSA-N	267.394	2.728	70	20	CFID	
COCCOc1cccc(NC(=O)C[C@@H](C)SC)c1	160340011	TZYFAJGGMFSKDA-LLVKDONJSA-N	283.393	2.792	70	20	CFID	
Cc1noc(C)c1S(=O)(=O)N1CCC2(CCCC2)CC1	160588611	WHEZPHUEHASWHP-UHFFFAOYSA-N	298.408	2.636	70	20	CFID	
Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CCO)C(C)C	160632807	YRQGXKYNDRBWHF-HNNXBMFYSA-N	288.391	2.542	70	20	CFID	
CC1(C)C[C@@H](Nc2nc(C3CC3)ns2)CCO1	160650160	LOEWGNLUIQUATG-VIFPVBQESA-N	253.371	2.785	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCCCOCC1CC1	160842588	OWRCLDKEFWEGIH-UHFFFAOYSA-N	293.411	2.791	70	20	CFID	
CC[C@H]1CN(Cc2cnc3ccccn23)CCS1	160883032	SWFMFDSHDCUKQK-ZDUSSCGKSA-N	261.394	2.662	70	20	CFID	
Cc1noc(NC(=O)C[C@H](C)c2ccc(F)cc2F)n1	159885688	PCIKGEJYCRSLCK-ZETCQYMHSA-N	281.262	2.789	70	20	CFID	
CC(C)C[C@@H]1CCCCCN1C(=O)C[C@H]1CCCN1	159919591	VBDCLWPUNKNGCX-CABCVRRESA-N	266.429	2.946	70	20	CFID	
COc1ccc2cc(NC(=O)NOCC(C)C)ccc2n1	159935898	RXTMOGZQORZMRR-UHFFFAOYSA-N	289.335	2.953	70	20	CFID	
CC(C)C1(CNC(=O)NCC2(C3CC3)CC2)CC1	159559150	SPFMNUJTDNPUHI-UHFFFAOYSA-N	250.386	2.912	70	20	CFID	
CCN(CC)c1ccc(CNC(=O)C[C@@H](C)SC)cn1	159774816	IGEVDXIUXUSMQM-GFCCVEGCSA-N	295.452	2.686	70	20	CFID	
O=S(=O)(Cl)c1c(O)ccc(Cl)c1C(F)(F)F	238853832	LGJUMLNLKFMGJI-UHFFFAOYSA-N	295.065	2.992	70	20	CFID	
C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCN2CCCC[C@@H]12	217688170	FAIXWBQUCRDEGP-OLMNPRSZSA-N	288.435	2.930	70	20	CFID	
CC(C)(C)[C@@H]1CCN1C(=O)c1cccc(S(=O)(=O)F)c1	1121187028	KYXLNPLLSITWSB-LBPRGKRZSA-N	299.367	2.605	70	20	CFID	
COCCC1(C(=O)NC2CC(C)(C)NC(C)(C)C2)CCC1	161035598	YTLIQLNBUWQUQO-UHFFFAOYSA-N	296.455	2.619	70	20	CFID	
C[C@H](NC(=O)[C@H]1CCCNC1)c1ccc(F)cc1Cl	161152630	HWBOWIXSEYYDKB-UWVGGRQHSA-N	284.762	2.656	70	20	CFID	
C[C@H]1OCCN(C(=O)C2CCC(C)(C)CC2)[C@@H]1C	161298024	VNFUTKUSDAISCF-VXGBXAGGSA-N	253.386	2.839	70	20	CFID	
CS[C@@H](C)CC(=O)N(C)[C@H](C)c1ccncc1	161486909	VJWZUGXGZHELKD-WDEREUQCSA-N	252.383	2.743	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)c1cccc(F)c1	160137984	URYZQYLXFHUREL-LLVKDONJSA-N	295.354	2.561	70	20	CFID	
CCOCCN(CC)Cc1c(C)nc2ccccn12	160240910	OZFFTGFVGMZGEC-UHFFFAOYSA-N	261.369	2.501	70	20	CFID	
CCCCc1nnc(NC(=O)[C@H]2CC2(C)C)s1	160349855	RLRGWMNQOHISPN-MRVPVSSYSA-N	253.371	2.865	70	20	CFID	
CCCC1CCC(NC(=O)[C@H]2CCn3ccnc3C2)CC1	160399529	CCEUSHRETUXZSE-SLTAFYQDSA-N	289.423	2.921	70	20	CFID	
C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nccn1C	160743846	LEURIABINGUIFK-JTQLQIEISA-N	265.307	2.891	70	20	CFID	
O=C(NC1CC=CC1)[C@H]1SCCc2ccccc21	160765678	FPSMAHJJKAWHQO-AWEZNQCLSA-N	259.374	2.852	70	20	CFID	
CCCCNC(=O)Cc1noc(-c2cccn2C(C)C)n1	160785309	GKHKLNQPNMSQKB-UHFFFAOYSA-N	290.367	2.578	70	20	CFID	
CCN(C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CCCC1	160820036	MKZCKFUUCLKPAA-CQSZACIVSA-N	293.455	2.977	70	20	CFID	
CCOCCN(CC)C(=O)Nc1ccn(CCC(C)C)n1	160878268	NPZNLJCWLOCRDN-UHFFFAOYSA-N	296.415	2.820	70	20	CFID	
O=C(Cc1cc(F)c(F)cc1F)NCC1(C2CC2)CC1	159855002	KKTQDRQHEOURTF-UHFFFAOYSA-N	283.293	2.953	70	20	CFID	
CCCn1ncc(C(=O)NCc2cncc(C)c2)c1C1CC1	159470706	SLXNBXQZVBRKCD-UHFFFAOYSA-N	298.390	2.804	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC1CC1)CC1CC1	159993991	PPMQFEIOFRBPSS-XHDPSFHLSA-N	263.381	2.640	70	20	CFID	
C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1N)c1ccc(F)cc1	159872009	JQMXYCBRHULEFE-LERXQTSPSA-N	264.344	2.520	70	20	CFID	
CCc1ccc([C@@H](C)NCc2n[nH]c(CC)n2)cc1	160267190	SWEAHPQXLJTKJG-LLVKDONJSA-N	258.369	2.780	70	20	CFID	
CC(C)OCCNc1nccn2nc(C(C)(C)C)cc12	160602674	HMMQXMJKFBINHV-UHFFFAOYSA-N	276.384	2.864	70	20	CFID	
C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@@H]1N	161214011	DBWZRCSZXSAZRT-CABZTGNLSA-N	292.379	2.850	70	20	CFID	
O=C(/C=C\c1ccc(Cl)cc1)NC[C@@H]1CCCCN1	217437179	YOCRSEZRFOHHJC-PIZKADEWSA-N	278.783	2.612	70	20	CFID	
C1CCC(OC2CCN(CCOCC3CC3)CC2)C1	159976264	IHABYVLMXAWUFR-UHFFFAOYSA-N	267.413	2.837	70	20	CFID	
CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](CBr)C1	59649639	FILZGHVWTGNLHC-JGVFFNPUSA-N	282.153	2.586	70	20	CFID	
CC(C)(C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876317935	JRMOEYFIESHTOG-UHFFFAOYSA-N	291.319	2.610	70	20	CFID	
CSC[C@](C)(O)CNC(=O)CCCC1CCCCC1	217681393	ZTANWBSOEAJSGE-OAHLLOKOSA-N	287.469	2.967	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)c1cc(C2CCCCC2)n[nH]1	161150645	RLFXYBVCQUTSOP-ZDUSSCGKSA-N	293.411	2.594	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)NCc1ncccc1F	161279184	MAAIKEZKTWJNCO-SECBINFHSA-N	291.326	2.636	70	20	CFID	
COCC(C)(C)c1nc(-c2ccc(OC)c(OC)c2)no1	161352665	LGGTXRLSPCJTTH-UHFFFAOYSA-N	292.335	2.678	70	20	CFID	
CCN(c1ccc(C(=O)Nc2nc(C)no2)cc1)C(C)C	160104764	KORJSTFYDCJJRB-UHFFFAOYSA-N	288.351	2.865	70	20	CFID	
Cc1cc(C(=O)NCCCN)sc1-c1ccc(F)cc1	160126322	LUCZDGFWLCSDBR-UHFFFAOYSA-N	292.379	2.941	70	20	CFID	
CC[C@@H](NC(=O)C1(CCOC)CC1)c1c(C)noc1C	160214647	AEIBJASPQFMVQS-GFCCVEGCSA-N	280.368	2.675	70	20	CFID	
CC(C)(C)CN(CCCO)Cc1cnc2ccccn12	160223047	OFQYMPDVANWACV-UHFFFAOYSA-N	275.396	2.565	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H](C)SCc1ccccc1	160433693	YEGBDQWLJMROBN-CYBMUJFWSA-N	294.464	2.942	70	20	CFID	
CC(C)C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)s1	160520414	GGOSXBJPVCTTCU-UHFFFAOYSA-N	289.422	2.507	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@H](C)Cc1ccccc1F	160578014	KMCUVYZDVOFCMT-VXGBXAGGSA-N	267.344	2.688	70	20	CFID	
Cc1cc(C)c(NC(=O)c2cccc(=O)n2C)c(C)c1	160636475	GLGCUHCPNJZOAZ-UHFFFAOYSA-N	270.332	2.563	70	20	CFID	
Cc1cccc([C@@H]2CCCN2CC(=O)NC2CCCC2)n1	159817234	YJCOUPNZBXBGJS-INIZCTEOSA-N	287.407	2.586	70	20	CFID	
COc1ccsc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159630598	DDEKINWJULUWQB-NSHDSACASA-N	295.404	2.978	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@@H](N)CC(C)C)cc1	159655721	RYIRGXQOUSHHCB-HIFRSBDPSA-N	262.397	2.588	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCCCO1	159879215	HURFTXQIICANRQ-AWEZNQCLSA-N	297.782	2.746	70	20	CFID	
CC[C@H](N)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	159528790	QSVJOSGIAHRJNL-LBPRGKRZSA-N	291.395	2.655	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)NCC(C)(C)CN(C)C	159583427	FNNAGJLMHKBHSV-HNNXBMFYSA-N	298.471	2.818	70	20	CFID	
Cc1nn(C)cc1CN[C@@H]1CCc2cc(F)ccc21	160144124	OLYNUMCWBBLJFC-OAHLLOKOSA-N	259.328	2.645	70	20	CFID	
CCC[C@@H](CCO)CNC(=O)c1cc2ccccc2[nH]1	161156746	HKXORMJIHYUZOT-LBPRGKRZSA-N	274.364	2.696	70	20	CFID	
C[C@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2CO)o1	218054670	UMSYHTWJDONMIX-CTHBEMJXSA-N	291.391	2.613	70	20	CFID	
C[C@H]1CCC[C@@H](CNCCNC(=O)OC(C)(C)C)C1	218132995	MDEVQLUNYDHJGA-QWHCGFSZSA-N	270.417	2.927	70	20	CFID	
CCc1ncc(NC(=O)Nc2cccc(COC)c2)cn1	161180109	JXQYKVSXUXBQIN-UHFFFAOYSA-N	286.335	2.829	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ncccc1F	161279058	MAAIKEZKTWJNCO-VIFPVBQESA-N	291.326	2.636	70	20	CFID	
COC(=O)[C@@](C)(NC(=O)C1CCC(C)(C)CC1)C1CC1	161294365	VCRQMUXJJKLWQA-INIZCTEOSA-N	281.396	2.661	70	20	CFID	
CC[C@@H](COC)NCC1(c2ccc(F)cc2)CC1	161375723	PXEQQBQATSNQFQ-AWEZNQCLSA-N	251.345	2.872	70	20	CFID	
C[C@H](CC(=O)N(C)C[C@H]1CCOC1)c1ccc(F)cc1F	161394718	GMWWCGDKAPPLSS-VXGBXAGGSA-N	297.345	2.953	70	20	CFID	
O=c1c2ccccc2ncn1CCSc1ccncc1	160016871	COQDDCSTPLAYRC-UHFFFAOYSA-N	283.356	2.584	70	20	CFID	
Cc1nn(C)c(C)c1[C@H](OC(=O)C1CCC1)C(F)(F)F	160166665	JCOBTUIERCEDAO-NSHDSACASA-N	290.285	2.984	70	20	CFID	
CCC(CC)CN(CC)C(=O)[C@@H](C(C)C)N1CCCC1=O	160209053	AVHDRLWGRWWCFN-MRXNPFEDSA-N	296.455	2.918	70	20	CFID	
O=C(CCOCc1ccccc1)NCC1(C2CC2)CC1	160232101	RTWVRSSXZKMKFF-UHFFFAOYSA-N	273.376	2.900	70	20	CFID	
Cn1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[C@@H]3C2)n1	160763985	BNCYBDBXTSKLIE-UPJWGTAASA-N	261.369	2.965	70	20	CFID	
O=C(C[C@@H]1CCCN1)Nc1ccccc1CC(F)(F)F	160800051	ACVJADNZHAGXNN-NSHDSACASA-N	286.297	2.872	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1ccc(CC)cc1	160791220	SFYWLAUHCGAWOM-CYBMUJFWSA-N	291.391	2.640	70	20	CFID	
CCC[C@H](N)C(=O)Nc1ccccc1OC(C)(C)C	160945535	BFLIBKJHYOFIFB-NSHDSACASA-N	264.369	2.930	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCC[C@H](C)C2)c1	160981356	XWQOJHBOUWTYBM-VIFPVBQESA-N	282.365	2.799	70	20	CFID	
CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CCc2ccccc21	160997447	CKXYXWFNZGWDRB-GDBMZVCRSA-N	288.435	2.953	70	20	CFID	
Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCSC2)c(C)c1	159456182	IGGIDLCLDSTFLL-ZDUSSCGKSA-N	299.461	2.738	70	20	CFID	
CSCCNC(=O)[C@H]1C[C@@H]1c1sccc1C	159654840	WEZPYHDILBUWDO-UWVGGRQHSA-N	255.408	2.639	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCCNC1CCCCCC1	159671837	BCYKJMFRZODUPS-GOEBONIOSA-N	266.429	2.851	70	20	CFID	
C[C@H](CCn1cccn1)Nc1ccn(CC(F)(F)F)n1	159481226	WRFFSLUYGXMPNC-SNVBAGLBSA-N	287.289	2.533	70	20	CFID	
COc1ccc(C)cc1[C@@H](C)NCCCN1CCCC1=O	159513019	KBZFQXHNLINLCE-CQSZACIVSA-N	290.407	2.667	70	20	CFID	
CC(C)[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	159966612	SUNYYNJHLGCSFA-WBVHZDCISA-N	290.407	2.940	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@H](C)C[C@@H](C)O)c1C	159783633	OZUCBNUGNXHMSZ-VXGBXAGGSA-N	296.415	2.520	70	20	CFID	
Cn1ccc(CNC(=O)c2cccc(Cl)c2F)c1	159472583	QQBIBOLDQLVHEJ-UHFFFAOYSA-N	266.703	2.748	70	20	CFID	
O[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1F	160810702	YVQQHUIMEHJUEK-STQMWFEESA-N	257.736	2.872	70	20	CFID	
C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1C	1337519984	LYSQQDQGASIETA-WDEREUQCSA-N	299.367	2.605	70	20	CFID	
CC(C)(C)OCCOC(=O)c1cc(F)cc(N)c1F	217924492	VJGZXFSXCIRJMD-UHFFFAOYSA-N	273.279	2.519	70	20	CFID	
CCCCn1ncc(C(=O)N[C@H](C)c2cccnc2)c1C	161057629	VBDLARSQPUNGJL-GFCCVEGCSA-N	286.379	2.878	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)CC1CCNCC1	161106211	MFFOYPNUPVPYRO-KRWDZBQOSA-N	288.435	2.856	70	20	CFID	
CC(C)CC1(C(=O)N[C@H]2CCC[C@@H](N)C2)CCC1	161249010	RQADTXRZNWEWAZ-OLZOCXBDSA-N	252.402	2.589	70	20	CFID	
COCCC1(C(=O)NCCCCc2nc(C)cs2)CC1	161467932	KXNWDPDALGIBIE-UHFFFAOYSA-N	296.436	2.707	70	20	CFID	
CCC[C@@H](CC)NC(=O)c1ccc(C(=O)NC2CC2)cc1	161494048	NHBVIWSWMZUARC-CQSZACIVSA-N	288.391	2.887	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](c1ccccc1)C(C)C	160293687	PBKJIVUFGDIZCF-CJNGLKHVSA-N	291.391	2.884	70	20	CFID	
C[C@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160662268	QUHYRPCOGYKCHO-VIFPVBQESA-N	290.289	2.709	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1nnc(C(C)C)s1	160757442	ZXMUORPUYLJYRK-ZETCQYMHSA-N	259.400	2.742	70	20	CFID	
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCc2ccccc21	160783508	ASJPCXYZKQTWJB-IMJJTQAJSA-N	298.386	2.716	70	20	CFID	
O=C(NC1CC=CC1)c1cccn1Cc1ccccc1	160795876	KIOGUADCENZEMM-UHFFFAOYSA-N	266.344	2.985	70	20	CFID	
OC[C@@H]1CCCN1CCc1cccc(OC(F)(F)F)c1	159852914	FQLVKSDNJALGLV-LBPRGKRZSA-N	289.297	2.584	70	20	CFID	
COCCCN(C)[C@@H](C)c1nc(Cc2ccccc2)no1	159689097	HWKOSYGDQCWMOY-ZDUSSCGKSA-N	289.379	2.690	70	20	CFID	
Cc1nccc(NC(=O)N2CC[C@@]3(CCOC3)C2)c1Cl	159526055	UXOMZLIXNLGWPD-CQSZACIVSA-N	295.770	2.688	70	20	CFID	
CCCCn1ncc(C(=O)NC(CC)CC)c1C	159537384	LIKGDMKYHNNWPE-UHFFFAOYSA-N	251.374	2.910	70	20	CFID	
CCSCCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1	159514337	DUFWIKRYCSADJJ-GFCCVEGCSA-N	288.457	2.729	70	20	CFID	
CN(Cc1ncc(-c2ccccc2)o1)[C@@H](CN)C1CC1	160064458	NFSZLSZSCOQWEP-AWEZNQCLSA-N	271.364	2.511	70	20	CFID	
O=S(=O)(c1cccc(Cl)c1)N1[C@H]2C=CC[C@H]1CC2	218757919	UQAKEVFDBDFKFY-RYUDHWBXSA-N	283.780	2.822	70	20	CFID	
CCOc1ccc([C@@](C)(F)CS(=O)(=O)Cl)cc1	1537959029	VACPMMPJVDFHTI-NSHDSACASA-N	280.748	2.839	70	20	CFID	
CC[C@H](C)CCNC(=O)c1ccc(S(=O)(=O)F)cc1	864243720	UHUFPRFBFIPYES-JTQLQIEISA-N	287.356	2.511	70	20	CFID	
CSC[C@H](C)C(=O)Nc1cccc(OCCF)c1	160436961	UQHFRYQCBKNAMQ-JTQLQIEISA-N	271.357	2.973	70	20	CFID	
O=C(Oc1ccccc1)c1cccc(S(=O)(=O)F)c1	1339471951	JPVMGHKNPFNNTM-UHFFFAOYSA-N	280.276	2.564	70	20	CFID	
CC(C)C[C@@H]1CCCN(C(=O)c2ncccc2O)C1	161056425	MMZWRBDVOJULFS-LBPRGKRZSA-N	262.353	2.686	70	20	CFID	
CC(=O)NC1CCC(Nc2cccc(C)c2F)CC1	161200756	FXTDRHRRDUKCNM-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
CSc1ccc(NC(=O)c2ccnn2C(C)C)cn1	161280084	KTRSHVPDMAUGRD-UHFFFAOYSA-N	276.365	2.833	70	20	CFID	
Cc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cn1	161301612	YJVLTURCLCIURB-ZUOKHONESA-N	288.416	2.978	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C)[C@@H]2C)cc1	161342331	FHPIKYNGTCHZRI-HZSPNIEDSA-N	276.380	2.875	70	20	CFID	
CCC[C@@H](CC)NS(=O)(=O)Cc1c(F)cccc1F	161468499	CZDPFDWMAJLZMX-SNVBAGLBSA-N	291.363	2.963	70	20	CFID	
C[C@@H]1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C[C@@H](C)C1	160047906	ZPCVMRRRBCFXQF-OLZOCXBDSA-N	298.390	2.980	70	20	CFID	
CCCCO[C@H](C)C(=O)N(C)c1ccc2c(c1)OCO2	160238524	DOYIIOYRFVAOJX-LLVKDONJSA-N	279.336	2.583	70	20	CFID	
Nc1nc(N[C@@H]2CCO[C@H](C3CC3)C2)nc2ccccc12	160391460	USGURHLWIMYUJM-RISCZKNCSA-N	284.363	2.582	70	20	CFID	
CN(C(=O)c1ccc(Cl)o1)c1ccc2c(c1)OCO2	160479778	YMFWQPYKALGQME-UHFFFAOYSA-N	279.679	2.938	70	20	CFID	
Cc1c(/C=C/C(=O)N[C@H]2CCc3cc(F)ccc32)cnn1C	160970558	UNEWAJSYHUNQPR-YCOJEUHLSA-N	299.349	2.685	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C[C@H](C)c1ccc(F)cc1F	160983204	ACFJTBDPBAGWAO-AAEUAGOBSA-N	299.361	2.982	70	20	CFID	
CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@H](C)CCO	160990174	HTXXMNSFTBRMPJ-NSHDSACASA-N	299.798	2.876	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)OCC1CC1	159980244	HVSFOXFOAPATAO-NHYWBVRUSA-N	289.375	2.614	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1ccccc1F	160345133	QNAGGJOEKYAHJI-UHFFFAOYSA-N	283.324	2.658	70	20	CFID	
Cc1ccc(C(=O)CCN2C[C@H](C)N(C)[C@H](C)C2)cc1	160216446	JFWKVZKUPNJWLK-GASCZTMLSA-N	274.408	2.592	70	20	CFID	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCNC(=O)C1CC1	218576468	RPZRYEYXGPNLFC-YUELXQCFSA-N	266.429	2.563	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@H]1c1ccc(F)cc1	161329159	MMPLWRSMULWNPX-HNNXBMFYSA-N	299.411	2.787	70	20	CFID	
CCc1cnc(NC(=O)N(C)c2c(C)noc2C)s1	161502319	CVCRCFKNVGFZFL-UHFFFAOYSA-N	280.353	2.979	70	20	CFID	
Cc1cccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)c1	160371395	AGZRZHQDYDRLCF-UHFFFAOYSA-N	296.330	2.863	70	20	CFID	
COC[C@H](C)NCCc1csc(-c2ccccc2)n1	160388509	ZXORDHLLQRKKJQ-LBPRGKRZSA-N	276.405	2.977	70	20	CFID	
CCC(CC)n1ncc(C(=O)Nc2nnc(C)s2)c1C	160676703	WMJWWTOXXKCTFN-UHFFFAOYSA-N	293.396	2.965	70	20	CFID	
C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cccnc1	160784881	IUKKBFHJYPNNRN-GNCDUGFZSA-N	293.370	2.780	70	20	CFID	
C[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1	160816916	KJBSOBCDEMEOOS-GJZGRUSLSA-N	293.455	2.835	70	20	CFID	
COC[C@@H](NC(=O)Nc1cccc2[nH]ccc12)C1CC1	159804170	CHFUGAAMUFYSDC-CQSZACIVSA-N	273.336	2.714	70	20	CFID	
CCc1noc(C)c1CNc1ccc(C)cc1C(=O)NC	159465239	VLDFFUUCRZNKNC-UHFFFAOYSA-N	287.363	2.826	70	20	CFID	
CCOC(=O)C[C@@H](C)CNC(=O)C(C)(CC)CC	159394998	BKXXYIUWWULDJS-LLVKDONJSA-N	257.374	2.518	70	20	CFID	
CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H](CN)C1CC1	159848156	YNYLFMNNCZHYOV-OAHLLOKOSA-N	274.408	2.793	70	20	CFID	
O=C(NCCCCc1ccccc1)NCC1CCOCC1	218718091	FGUWSGZKKCBPLK-UHFFFAOYSA-N	290.407	2.735	70	20	CFID	
CSc1ccc([C@@H](F)CS(=O)(=O)Cl)cc1	1537959152	ZDMBPUNSGSGHES-VIFPVBQESA-N	268.762	2.988	70	20	CFID	
CC(C)c1cccc(OCC(=O)N[C@H]2CCC[C@@H](N)C2)c1	161115197	QQJSWRFKMHRNLE-CABCVRRESA-N	290.407	2.575	70	20	CFID	
CC(C)[C@H](C)NCCCc1nnc2n1CCCCC2	161145361	ZITUECHTFLXCAJ-ZDUSSCGKSA-N	264.417	2.571	70	20	CFID	
COC[C@@H](O)CCNC(=O)[C@@H](CC1CCCCC1)C(C)C	161197433	MGQBRXVIUSAVRH-HOTGVXAUSA-N	299.455	2.743	70	20	CFID	
CC(C)c1ccsc1C(=O)N[C@@H]1CCC[C@H](N)C1	161291333	CMJSVXMVESCXLW-WDEREUQCSA-N	266.410	2.871	70	20	CFID	
O=C(NC1CC=CC1)c1cc(F)cc(Cl)c1O	161383851	IDJSYDOSHYLVIX-UHFFFAOYSA-N	255.676	2.633	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC[C@@H]1C[C@H]2C=C[C@H]1C2	160007900	IABQCSOQTOJTIW-OBJOEFQTSA-N	256.349	2.718	70	20	CFID	
Cc1cnc(NC(=O)c2cc(F)cc3cccnc23)[nH]1	160039896	HTVFFANKSKWJEZ-UHFFFAOYSA-N	270.267	2.658	70	20	CFID	
C[C@@H]1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C[C@H](C)C1	160047645	ZPCVMRRRBCFXQF-CHWSQXEVSA-N	298.390	2.980	70	20	CFID	
Cc1cc(S(=O)(=O)NCC2(C3CC3)CC2)ccc1F	160208183	NNAVBWJESUXCBL-UHFFFAOYSA-N	283.368	2.603	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc(OCCN(C)C)cc1	160219498	OXFRDQXGYOEBRJ-GFCCVEGCSA-N	296.436	2.707	70	20	CFID	
CCc1cnc(CN(C)C(=O)[C@@H]2CC2(C)C)s1	160255355	KNDVKVGFFVWHFJ-JTQLQIEISA-N	252.383	2.710	70	20	CFID	
O=C(/C=C/c1ccccc1F)NCC1(CO)CCCC1	160298331	VDTJDNJZHJKJBX-BQYQJAHWSA-N	277.339	2.508	70	20	CFID	
C[C@H](CO)N(C)C(=O)C1CCC(c2ccccc2)CC1	160372664	INUSDISUBPMLIJ-IUDNXUCKSA-N	275.392	2.800	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	160465675	RRGDYULBRSQRFW-MNOVXSKESA-N	296.361	2.702	70	20	CFID	
CS[C@H](C)CC(=O)NC1CCN(C(C)(C)C)CC1	160506805	WLWXRHWGQHXESL-LLVKDONJSA-N	272.458	2.507	70	20	CFID	
CC[C@@H](COC)NCCCCc1nc(C)cs1	160706786	DNNMNHKPUUHTGF-LBPRGKRZSA-N	256.415	2.789	70	20	CFID	
C[C@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H](C)S1	160762218	FTCFIWMRAVJYKL-UPJWGTAASA-N	278.421	2.928	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCCC1CCCC1	160853940	MGTMYYSIECEPGI-LBPRGKRZSA-N	269.385	2.805	70	20	CFID	
CSc1ccc([C@H](C)NCC(=O)NC(C)C)cc1F	160936032	UNZKKHCZOGMCEV-JTQLQIEISA-N	284.400	2.723	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)C1CCOCC1	159826468	RVXMDFZEAFLZMM-LBPRGKRZSA-N	265.378	2.668	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCO1	159874732	UNRQPDIEJXSUGN-RTXFEEFZSA-N	295.329	2.706	70	20	CFID	
Nc1ccc(NC(=O)NC2CCC2)c(C(F)(F)F)c1	160282277	RSNMPTAIOHORQG-UHFFFAOYSA-N	273.258	2.962	70	20	CFID	
CCC(C)(C)NC(=O)[C@@H](C)N(C)OCc1ccccc1	159594665	NFMNVZZFGMBQQD-CYBMUJFWSA-N	278.396	2.743	70	20	CFID	
C[C@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093524	PGEVYRNKIBXCLZ-UWVGGRQHSA-N	285.340	2.720	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864242271	ACIMRWTVBILKHQ-MFKMUULPSA-N	299.367	2.653	70	20	CFID	
Cc1noc(C)c1CCSCc1cccc(C(N)=O)c1	160121549	BQCYUBAGDNKNRY-UHFFFAOYSA-N	290.388	2.866	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)n1	160239050	NMMIAUAUTZRBFO-STQMWFEESA-N	294.399	2.618	70	20	CFID	
CSCCN(C)CCN(C)Cc1ccc(F)cc1	160275638	FQCGBLYWJOTDBM-UHFFFAOYSA-N	270.417	2.552	70	20	CFID	
CCOC(=O)c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1	160342074	DDSKPGXFCSOFGT-ZIAGYGMSSA-N	290.363	2.628	70	20	CFID	
COc1ncc(Cl)c(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160390787	SZISNAKTOCBWHE-GXSJLCMTSA-N	283.759	2.508	70	20	CFID	
CN(C[C@@H]1CCCCO1)C(=O)CCc1ccc(F)cc1F	160427636	YTGCUSDWHWSJPB-AWEZNQCLSA-N	297.345	2.925	70	20	CFID	
CC[C@H](C)N(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160709535	UAQZKKNSBXVDDT-NSHDSACASA-N	287.367	2.744	70	20	CFID	
CC(C)[C@H](NC(=O)[C@H](C)N)c1ccccc1Cl	160829393	VHLDHUPSFIXELI-CABZTGNLSA-N	254.761	2.501	70	20	CFID	
C[C@@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CCCSC1	159635932	FSIJLUPVAQKCRQ-UONOGXRCSA-N	292.448	2.913	70	20	CFID	
CC(C)c1nc(S(=O)(=O)N2CC[C@H](C)C[C@@H](C)C2)c[nH]1	159678038	RJGUVAPQUSGLIP-NWDGAFQWSA-N	299.440	2.590	70	20	CFID	
CCO[C@H]1C[C@H](NC(=O)CCCn2cccc2)C12CCC2	159680249	QFLDBAUWBUHZFS-GJZGRUSLSA-N	290.407	2.732	70	20	CFID	
Cc1cc(NC(=O)C[C@@H]2CCc3ccccc32)c[nH]c1=O	159565068	PBFRQMYVXUCSMO-ZDUSSCGKSA-N	282.343	2.742	70	20	CFID	
CCN1CCCN(C(=O)NCC(CC)(CC)CC)CC1	159983401	KXFKNTNSGYUWMW-UHFFFAOYSA-N	283.460	2.940	70	20	CFID	
N[C@H](CNc1nnc(C(F)(F)F)s1)c1ccccc1	160364619	IPOSFMUYZMWYSJ-MRVPVSSYSA-N	288.298	2.669	70	20	CFID	
CCN(CC)CCNC(=O)Nc1cc(Cl)ccc1OC	217283128	BKKGIODXPJDSHW-UHFFFAOYSA-N	299.802	2.812	70	20	CFID	
CC(C)C[C@@H]1COCCN1CCCN1CCCCC1	161115826	GMMKSUOSAJCPNU-MRXNPFEDSA-N	268.445	2.609	70	20	CFID	
Cc1ccc2cc(CN3CC[C@H](N)[C@@H](C)C3)ccc2n1	218371357	SYNGHXYJRWNRCP-LRDDRELGSA-N	269.392	2.712	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161172437	YDVVRQNEWDNKNC-ZNMIVQPWSA-N	292.423	2.776	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCCOC2CCCC2)C1	161173039	PZHMPDSKWNXNHE-CHWSQXEVSA-N	253.386	2.888	70	20	CFID	
Fc1cccc(CSc2ncnc3[nH]cnc23)c1F	161368498	CTFMWTRAQOXMLZ-UHFFFAOYSA-N	278.287	2.923	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCCCO2)C1	161427897	LTRDIXRKRGIISH-MJBXVCDLSA-N	253.386	2.840	70	20	CFID	
O=C(CCc1ccoc1)N[C@@H]1CCOC2(CCCC2)C1	160146730	YZBJWYHIYWYWPY-CQSZACIVSA-N	277.364	2.820	70	20	CFID	
CNC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)c(Cl)c1	160289639	UVELAUSCKDVUMK-JTQLQIEISA-N	292.766	2.994	70	20	CFID	
CCc1nc(C[S@@](=O)c2ncc(C(C)(C)C)s2)no1	160449869	UYSAMHZWZMGSBG-IBGZPJMESA-N	299.421	2.694	70	20	CFID	
NC(=O)[C@@H](Nc1cccc(OCCF)c1)c1ccccc1	160889689	FPXWBJILUXZEQU-HNNXBMFYSA-N	288.322	2.673	70	20	CFID	
Cc1cc(-c2nc(-c3cnccn3)no2)cc(C)c1F	160892612	SDKNKJDTDLFYOO-UHFFFAOYSA-N	270.267	2.950	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C1(Cc2ccccc2)CCC1	160974235	YBPGLLVBIXSUFG-INIZCTEOSA-N	289.419	2.923	70	20	CFID	
CCCCCOc1cccc(O[C@H](C)C(N)=O)c1	159876051	ABEBDAHUUKPANZ-LLVKDONJSA-N	251.326	2.508	70	20	CFID	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C1CCC(C)(C)CC1	159496272	UKFFYXSMXFTXTK-RYUDHWBXSA-N	282.428	2.622	70	20	CFID	
CCCOc1ccc(OC(=O)[C@H]2CCCCO2)cc1	159704614	FGLUJTCNEMOHHA-CQSZACIVSA-N	264.321	2.950	70	20	CFID	
CCOc1ccc(NC(=O)N2CCC[C@](C)(O)C2)cc1F	159726171	QTKBAAOXOYZNJE-HNNXBMFYSA-N	296.342	2.603	70	20	CFID	
Cc1cc(C)c(C(=O)Nc2nc3ccccc3[nH]2)[nH]1	159943553	ZINQIPIEXSLCIB-UHFFFAOYSA-N	254.293	2.760	70	20	CFID	
Cc1nc(CNC(=O)NC2C[C@H](C)O[C@@H](C)C2)sc1C	159598077	SXPCTLFNKDMDOK-IUCAKERBSA-N	297.424	2.515	70	20	CFID	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)ccc1Cl	160681631	QQMACUAZDAYTLA-BETUJISGSA-N	278.783	2.615	70	20	CFID	
CCN(CC)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	159848483	MMDAROKOPLTGSQ-HOCLYGCPSA-N	289.423	2.701	70	20	CFID	
CCCCN(CC)C(=O)c1ccc(S(=O)(=O)F)cc1	865205549	GRQGADYITGOLBC-UHFFFAOYSA-N	287.356	2.607	70	20	CFID	
CC(C)n1nccc1C(=O)N1CCc2sccc2C1	161203299	KMQJVWSOZHSVLT-UHFFFAOYSA-N	275.377	2.724	70	20	CFID	
CCCn1c(C)nnc1Cn1cc(-c2ccccc2)cn1	161297809	APFHKYLMADJTEP-UHFFFAOYSA-N	281.363	2.908	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)C[C@@H](C)NC(=O)C1CCCCC1	161487723	CCUHAAGEMIXEMK-RDBSUJKOSA-N	294.439	2.861	70	20	CFID	
CCCC[C@H](COC)NC[C@@](C)(O)c1ccsc1	160033929	TXGQCONZJIEJSK-ZIAGYGMSSA-N	271.426	2.750	70	20	CFID	
CCCCOCCCNC(=O)C[C@@H]1CNc2ccccc21	160316894	KIDWFAQIHJNIHR-CQSZACIVSA-N	290.407	2.909	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)Cc1ccc2ccccc2c1	160525124	SFPIPKHNDXJASW-QGZVFWFLSA-N	285.387	2.906	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)Cc1csc(C(C)(C)C)n1	160590981	IEEAHNOTPUTYAS-LBPRGKRZSA-N	298.452	2.506	70	20	CFID	
CCCCN(C)CC1CCN(C[C@](C)(O)CC)CC1	160630749	ABJLLWLPDAINJI-MRXNPFEDSA-N	270.461	2.591	70	20	CFID	
Cc1cccc([C@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)c1	159837151	YVUAXWAWLQUIPE-IRXDYDNUSA-N	296.370	2.775	70	20	CFID	
C[C@@H]1CCC[C@@H](NC(=O)CCCc2nc(C3CC3)no2)C1	159539327	HCYIPGYHPZDHPN-DGCLKSJQSA-N	291.395	2.965	70	20	CFID	
C1CC[C@H](c2noc(CC[C@H]3CCCNC3)n2)SC1	160644421	ODZOFKHJLPNLGE-VXGBXAGGSA-N	281.425	2.960	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)C1C2CC3CC(C2)CC1C3	160751152	XVWJGDWAGSHIFR-CGAUPDFVSA-N	279.424	2.582	70	20	CFID	
C[C@@H](CCOC1CCCC1)CCS(=O)(=O)Cl	114640220	OPKLQFRRSRDHAG-JTQLQIEISA-N	268.806	2.931	70	20	CFID	
CN(Cc1ccc(Br)cc1)C(=O)C(F)F	217608239	HQMCUTQGIJFNRW-UHFFFAOYSA-N	278.096	2.673	70	20	CFID	
CC(C)[C@H](NC(=O)[C@@H](C)N)c1ccccc1Cl	160829509	VHLDHUPSFIXELI-SKDRFNHKSA-N	254.761	2.501	70	20	CFID	
CCC(C)(CC)C(=O)N1CCS[C@H]2COCC[C@@H]21	159490498	IOYORBIIXNKKEQ-RYUDHWBXSA-N	271.426	2.546	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC1(C(C)C)CC1	1354980390	LMWHUDMQBDCNRP-UHFFFAOYSA-N	299.367	2.572	70	20	CFID	
C[C@@H](CNC(=O)c1ccc(O)cc1O)c1ccccc1	217485154	GAXJBXLFQISEEK-NSHDSACASA-N	271.316	2.631	70	20	CFID	
CCCC(O)(CCC)CC(=O)N(C)C[C@H]1CCCOC1	161494880	LEKWAPDOWQSUDU-CQSZACIVSA-N	285.428	2.593	70	20	CFID	
CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1516700801	BDHNEIFXIWFBLZ-PWSUYJOCSA-N	299.367	2.748	70	20	CFID	
CC(C)[C@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl	161152886	NBBBAEFBXKYTQF-UFBFGSQYSA-N	272.751	2.640	70	20	CFID	
CC[C@H](C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161361674	HGUSGQMIXKEQEG-RYUDHWBXSA-N	284.400	2.548	70	20	CFID	
COc1ccc(C[C@@H](C)C(=O)NC[C@H]2CCCCO2)cc1	160111778	CHYXYAJCNKUCMF-CZUORRHYSA-N	291.391	2.559	70	20	CFID	
CCCC[C@H](COC)NC(=O)C[C@@H](C)c1ccncc1	160703916	QASKOBFIXMMQED-UKRRQHHQSA-N	278.396	2.897	70	20	CFID	
CSCC[C@@H](N)C(=O)NCCCCC1CCCC1	160901336	KZRBUUXBCYZYNQ-CYBMUJFWSA-N	272.458	2.544	70	20	CFID	
CCC(C)(CC)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21	159494903	XQJIEEXZKPVZFY-UONOGXRCSA-N	266.429	2.755	70	20	CFID	
CC(C)c1ccc(CC2CCN([C@@H](C)C(N)=O)CC2)cc1	159950332	LYXNLDHCOJLDIC-AWEZNQCLSA-N	288.435	2.938	70	20	CFID	
Cc1nccc(N[C@@H]2CCCc3cc(N)ccc32)n1	159490928	BJKDSSQYYYSRDO-CQSZACIVSA-N	254.337	2.857	70	20	CFID	
COc1cc(N[C@H]2CCN3CCC[C@@H]3C2)ccc1F	160150752	XUMBGPHWWSICNJ-QWHCGFSZSA-N	264.344	2.873	70	20	CFID	
CCOc1cc(CNCCN(C)[C@@H](C)CC)ccc1OC	217378733	BKXAPVYFEVIGES-AWEZNQCLSA-N	294.439	2.914	70	20	CFID	
O=C(CCc1ccoc1)Nc1cccc(S(=O)(=O)F)c1	460097507	WIMALPXHSBNQQG-UHFFFAOYSA-N	297.307	2.509	70	20	CFID	
CCN(CC)c1ccc(C(=O)N2CCC(C)(O)CC2)cc1	161382229	KSUDIFNMIQYQFD-UHFFFAOYSA-N	290.407	2.520	70	20	CFID	
CCCOc1cccc(CC(=O)NCCc2cccnc2)c1	161510870	RWVVYLJWSGIQNX-UHFFFAOYSA-N	298.386	2.772	70	20	CFID	
c1nc(NCC2CC2)cc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160405279	CDDUUQMLGBOLJW-KGLIPLIRSA-N	288.395	2.668	70	20	CFID	
NC(=O)c1cnccc1N[C@H]1CCO[C@@H](c2ccccc2)C1	160550495	NJBHLVLQAGHWIN-XJKSGUPXSA-N	297.358	2.513	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@](C)(O)C2)cc1	160665950	HWSIVGBUNZNVGR-XJKSGUPXSA-N	276.380	2.612	70	20	CFID	
CCC1(CNC(=O)NC[C@H](C)c2c(C)noc2C)CC1	159453126	PBCCHWPPWBZVMY-JTQLQIEISA-N	279.384	2.884	70	20	CFID	
Cc1cccc([C@H](C)C(=O)NCCN2CCCCC2)c1	159892145	YPIYWGQUKVDMAJ-HNNXBMFYSA-N	274.408	2.701	70	20	CFID	
NCCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	159976210	SIZRWWZKGKBPNC-UHFFFAOYSA-N	296.676	2.568	70	20	CFID	
C[C@@H](O)C[C@@H](C)CNc1nc(C(C)(C)C)ns1	159596669	SDMOHTKEFIVWIC-RKDXNWHRSA-N	257.403	2.655	70	20	CFID	
O=C(Nc1cccc(Cl)c1)N1CCc2ncncc2C1	218068306	GGHMGRFGAUHTTM-UHFFFAOYSA-N	288.738	2.720	70	20	CFID	
Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1	460094648	RZZMANSELDDSPA-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)C(C)(C)C	1331336758	FHNBKTXKJRSIDZ-UHFFFAOYSA-N	287.356	2.605	70	20	CFID	
C[C@]1(CNC(=O)NCC2(C3CC3)CC2)CCCS1	160281610	HYDKYFFSHOLBDR-CYBMUJFWSA-N	268.426	2.762	70	20	CFID	
C[C@@H](NCCCc1nnc2n1CCCCC2)c1ccco1	161169798	ZIFMPBDJPRIIRZ-CYBMUJFWSA-N	288.395	2.881	70	20	CFID	
O=C(NC[C@@H]1CC=CCC1)c1ccc(C(=O)NC2CC2)cc1	161278660	PJHRFOYPCJMVHS-CYBMUJFWSA-N	298.386	2.665	70	20	CFID	
CCc1ncsc1C(=O)NCC[C@@H](O)c1ccccc1	161279864	WDMWKZJORILADK-CYBMUJFWSA-N	290.388	2.559	70	20	CFID	
CC(C)n1nccc1C(=O)N1CCC[C@H]2CCC[C@H]21	161325166	KKTSDOKMBFDPQN-CHWSQXEVSA-N	261.369	2.869	70	20	CFID	
CCN(C(=O)c1ccc(C(=O)NC(C)C)cc1)C(C)C	161472892	QGABVXBDMBAWGH-UHFFFAOYSA-N	276.380	2.695	70	20	CFID	
Cc1nc(NC(=O)CC[C@H]2CCCO2)cc(C2CC2)n1	160128985	HLFPHWSRDBNWLR-GFCCVEGCSA-N	275.352	2.560	70	20	CFID	
C[C@@H](Cc1ccsc1)NC[C@H]1CCCC[C@@H]1O	160458203	DFDHIGWMEHMSEE-YUTCNCBUSA-N	253.411	2.820	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](CC)c1ccccc1	160571582	OTNDKZVBNOMYJP-JSGCOSHPSA-N	277.364	2.638	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)C(C)(C)c1ccc(F)cc1	160598825	DDKJZWSLHFFWIX-CQSZACIVSA-N	281.371	2.627	70	20	CFID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)Cc1ccco1	160832404	HHIDQPBWNCZORF-SNVBAGLBSA-N	275.352	2.772	70	20	CFID	
CC(C)(C)C1=CCN(C(=O)c2cscn2)CC1	160961322	AXRNNSGHKYYOJQ-UHFFFAOYSA-N	250.367	2.962	70	20	CFID	
C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCCCO1	160986349	LAGHSUXBUVRIFZ-RISCZKNCSA-N	265.328	2.914	70	20	CFID	
Cc1cc(C)c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[nH]1	159634557	DHWUCGVHFPDCPU-MRXNPFEDSA-N	299.418	2.534	70	20	CFID	
Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c[nH]c1=O	159689051	UBBSRLSIDFKQJU-QPJJXVBHSA-N	288.734	2.989	70	20	CFID	
CC[C@H]1CCCN(C(=O)c2ccnc(-n3cccn3)c2)C1	159722736	BTHSKYKOONVKRB-ZDUSSCGKSA-N	284.363	2.530	70	20	CFID	
Cc1nccc(NC(=O)N(CCCCO)C2CC2)c1Cl	159749144	NMBHUBYONKWQSV-UHFFFAOYSA-N	297.786	2.812	70	20	CFID	
COCC1CCN(C(=O)[C@@H](C)Cc2ccccc2F)CC1	159956290	CARALIZCIJQDIE-ZDUSSCGKSA-N	293.382	2.889	70	20	CFID	
c1cc2c(c(CNC[C@H]3CCN(C4CC4)C3)c1)NCCC2	159374941	BGPADWIUYVJBIQ-CQSZACIVSA-N	285.435	2.619	70	20	CFID	
Cc1cc(NC(=O)C2(CC(C)C)CCC2)c[nH]c1=O	159386723	PUASBPDYYXZDIZ-UHFFFAOYSA-N	262.353	2.838	70	20	CFID	
O=c1cc(CN2CC[C@@H]3CCCC[C@@H]32)nc2sccn12	159648881	HURNYOZONUTUCT-AAEUAGOBSA-N	289.404	2.521	70	20	CFID	
CCCc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)sc1C	160715707	WHIWIDRLIZUSLJ-OKILXGFUSA-N	292.448	2.976	70	20	CFID	
Cc1ccc(C(=O)CCN(C)[C@H](CO)C(C)(C)C)cc1	160904353	YKQWATKEVNRXSP-MRXNPFEDSA-N	277.408	2.907	70	20	CFID	
CC(C)(CCO)NC(=O)CCSc1ccc(F)cc1	161491971	PSOUIJAQDMYODV-UHFFFAOYSA-N	285.384	2.585	70	20	CFID	
Cc1c(C(=O)Nc2nccs2)cnn1CC(C)C	160570847	OTHBMHYYVLZSEC-UHFFFAOYSA-N	264.354	2.556	70	20	CFID	
Clc1ccc(N2CCN(CCOCC3CC3)CC2)cc1	159677887	LLSBLIOZELNNTK-UHFFFAOYSA-N	294.826	2.889	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@@H](C)c1cccc(C)c1	161242511	OHVHTWCBHLOLED-CQSZACIVSA-N	276.424	2.980	70	20	CFID	
Cc1cc(NC(=O)N2CC[C@H](C)[C@H](C)C2)ccc1C(N)=O	161345358	TYNFZUHHCNRRGL-CMPLNLGQSA-N	289.379	2.604	70	20	CFID	
COCc1cccc(CNC(=O)Nc2ccc(C)nc2)c1	161391094	HSIPAQFCWQBNGF-UHFFFAOYSA-N	285.347	2.858	70	20	CFID	
CC(C)CCO[C@@H](C)C(=O)N(C)c1ccc2c(c1)OCO2	160365086	NDVZKGJEMGSILC-LBPRGKRZSA-N	293.363	2.829	70	20	CFID	
CCOC(=O)C1(C(=O)N(CC)C[C@H](C)CC)CCC1	160602369	DUFYESGUSXWWGB-GFCCVEGCSA-N	269.385	2.614	70	20	CFID	
COCCOc1ccc(NC(=O)[C@@H]2CC2(C)C)cc1F	160874167	DCODYHCJRZQDMH-NSHDSACASA-N	281.327	2.836	70	20	CFID	
Cc1cc(Cl)cc(C(=O)NCCNC(C)(C)C)c1	159806638	SQDJPPKHCVLBMX-UHFFFAOYSA-N	268.788	2.766	70	20	CFID	
CCC(CC)(CC)CNC(=O)N1CCSCC1	159654513	RWPNPRMTCSWQBK-UHFFFAOYSA-N	258.431	2.961	70	20	CFID	
CCOc1ccc(OC(=O)[C@H]2CCCCO2)cc1	159680424	BTQKCLIXTNWYEB-CYBMUJFWSA-N	250.294	2.560	70	20	CFID	
CC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159928324	JSSSGZKJYURNFP-LLVKDONJSA-N	291.395	2.712	70	20	CFID	
CC(C)[C@H](CC(=O)NCC(C)(C)N)c1ccccc1	159941111	YXBGXVPFJJRLMS-AWEZNQCLSA-N	262.397	2.670	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)Cc1cccs1	159377298	YUGMTOFBJGRITK-UHFFFAOYSA-N	289.400	2.966	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1c[nH]c(=O)c(C)c1	159393387	UMUDHUXPFRDVOZ-NEPJUHHUSA-N	288.372	2.795	70	20	CFID	
CCS[C@H]1CCC[C@H]1NC(=O)c1cccc2[nH]cnc12	159799388	JMLWMQFJWDTMPI-YPMHNXCESA-N	289.404	2.967	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(F)cc1F	159886120	BFKZASUCQRBHJB-UHFFFAOYSA-N	286.322	2.885	70	20	CFID	
CCc1ccc(CCC(=O)NCC(N)(CC)CC)cc1	160471328	GWRAJCSGXHZNCV-UHFFFAOYSA-N	276.424	2.815	70	20	CFID	
Cc1ccc(NC(=O)C2=CCCC2)cc1S(=O)(=O)F	857675111	BMRLDEXKSNYOIA-UHFFFAOYSA-N	283.324	2.702	70	20	CFID	
CCC[C@@H](C)N(C)C[C@@H](O)c1cc(OC)ccc1OC	217018982	UBQBFQLYBOPWOY-IUODEOHRSA-N	281.396	2.858	70	20	CFID	
O=C(CC[C@@H]1CCOC1)N1CCc2c(F)cccc2C1	161080441	JMSDCWYBRIJZBX-GFCCVEGCSA-N	277.339	2.527	70	20	CFID	
CCCN(CCO)Cc1ccc(OC(C)C)c(OC)c1	161199352	PBQGKPDMOYUFOP-UHFFFAOYSA-N	281.396	2.687	70	20	CFID	
Cn1nccc1CSc1nnc(CCC2CCCC2)[nH]1	161324699	IZDIUAHWAAGZHU-UHFFFAOYSA-N	291.424	2.953	70	20	CFID	
CCN(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1	160285323	AWRNVOJXWXUYME-HNNXBMFYSA-N	290.363	2.871	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)CC(C)(C)C)[nH]2)o1	160420452	VPZVVPRBWUHLIJ-UHFFFAOYSA-N	262.313	2.748	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(OCCOC)c(F)c1	160873332	PQDWDSCHPFHUBR-LLVKDONJSA-N	299.342	2.605	70	20	CFID	
Cc1cccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)n1	159809976	ZPNCZNSTHAAPGG-KRWDZBQOSA-N	295.386	2.826	70	20	CFID	
CC[C@@H](CC(=O)NCC(F)F)c1ccc(OC)cc1	159421149	JDTRYPYMJMMEIZ-JTQLQIEISA-N	271.307	2.960	70	20	CFID	
CCC[C@H](CCO)CNC(=O)c1ccn(C2CCCC2)n1	159836983	GGPSAPFINOTYMW-CYBMUJFWSA-N	293.411	2.527	70	20	CFID	
CCN(C(=O)[C@H](C)Nc1cc(C)n(C)n1)c1ccccc1	159649605	ORFHPEPHKLOKMH-ZDUSSCGKSA-N	286.379	2.582	70	20	CFID	
C[C@H](NCc1cc2ccccc2o1)C(=O)NC(C)(C)C	159699408	NMISMORPIYEPGU-NSHDSACASA-N	274.364	2.826	70	20	CFID	
Cc1c(CNCc2cc3ccccc3o2)cnn1C	160175461	NNGFRENOAGNYPB-UHFFFAOYSA-N	255.321	2.765	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)CCSc2ccc(F)cc2)C1	161373331	LRPLQMSBCAHJRN-OLZOCXBDSA-N	296.411	2.694	70	20	CFID	
CC(C)c1ccc(N(C)C(=O)C[C@@H]2COC(=O)C2)cc1	161145675	IUCDCZQFHMLLQZ-LBPRGKRZSA-N	275.348	2.726	70	20	CFID	
Cc1cscc1NC(=O)CCC(=O)NC1CCCC1	161176932	AUXMZHDAOIDAFW-UHFFFAOYSA-N	280.393	2.834	70	20	CFID	
Cc1ccccc1OCCCC(=O)N[C@@H]1CCC[C@@H](N)C1	161336272	MYBAMYHDLAGMRB-HUUCEWRRSA-N	290.407	2.540	70	20	CFID	
CCNC(=O)C(C)(C)CNc1nc2cc(F)ccc2o1	161349464	DYZNUIDCQGORID-UHFFFAOYSA-N	279.315	2.541	70	20	CFID	
CC[C@H](C)OCC(=O)NCc1ccccc1OC(C)C	160029054	OQXMMHNGNNSDDK-ZDUSSCGKSA-N	279.380	2.905	70	20	CFID	
CC(C)CSCCCSCCN1CCOCC1	160074298	ZJRIETCWFHRUFP-UHFFFAOYSA-N	277.499	2.831	70	20	CFID	
CS[C@H](C)CNC(=O)N1CCc2cccc(F)c2C1	160208425	GWGOCQQTAXFNJJ-SNVBAGLBSA-N	282.384	2.645	70	20	CFID	
CC(C)Oc1cc(CNC(=O)N[C@@H]2C=CCCC2)ccn1	160269629	OFEXVIYOWKZFBC-CQSZACIVSA-N	289.379	2.777	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)N[C@@H]1C=CCCC1	160271105	RLBSURUFCQVCJZ-HUUCEWRRSA-N	279.428	2.515	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160373299	RBXCIQFAHYVFDQ-QWHCGFSZSA-N	268.401	2.822	70	20	CFID	
O=C(Nc1ccc(-c2cc[nH]n2)cc1)NC1CC=CC1	160500787	FJUHXXDGLOWZLW-UHFFFAOYSA-N	268.320	2.917	70	20	CFID	
Cc1cccc(OC[C@@H](C)NC(=O)[C@@H]2CC2(C)C)c1	160574317	XJZPQRXPTIOABF-OCCSQVGLSA-N	261.365	2.925	70	20	CFID	
C[C@@H](NCCCc1nc2c(s1)CCCC2)[C@@H]1CCOC1	160590677	OLECDFYMABUREJ-CHWSQXEVSA-N	294.464	2.969	70	20	CFID	
COC[C@H](NCCCc1nc2c(s1)CCCC2)C1CC1	160636798	HHCBXVVEOYROLX-AWEZNQCLSA-N	294.464	2.969	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(N(C)C(=O)OC)cc1	160991376	QISYYKBJWZOHCT-NSHDSACASA-N	294.351	2.643	70	20	CFID	
CCOCCC1(CNC(=O)CC2CCSCC2)CC1	159476137	CXPMTYVUFDOTKJ-UHFFFAOYSA-N	285.453	2.843	70	20	CFID	
CO[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)C(C)(C)C	159498389	XIPYYFNZWBMTTM-AWEZNQCLSA-N	296.386	2.683	70	20	CFID	
CCCN(CC)CCNC(=O)NCC1(C2CC2)CCC1	159958990	BAWXSRSEJZNESM-UHFFFAOYSA-N	281.444	2.598	70	20	CFID	
Cc1n[nH]c(C)c1CN[C@@H](C)c1ccc([S@@](C)=O)cc1	159589283	LZWMNITWLGYTJZ-FVINQWEUSA-N	291.420	2.615	70	20	CFID	
CCN(CCCO)C(=O)CCSc1ccc(F)cc1	160459116	CAGZXYOXPQNKKT-UHFFFAOYSA-N	285.384	2.539	70	20	CFID	
COCc1ccc(CN[C@H]2CCOC(C)(C)C2)cc1	160545224	VJBCXZXUCGRKFP-HNNXBMFYSA-N	263.381	2.880	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc(F)c(F)c(F)c1	160716826	JPBJJVYZOKOTSB-UHFFFAOYSA-N	282.265	2.715	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H]1CCCc2cccnc21	217841327	HLYSRKASHSCBQV-DZGCQCFKSA-N	261.413	2.779	70	20	CFID	
CCn1cnnc1CNCc1ccc(C(C)C)cc1	218226996	FSKVTBZVJINEIT-UHFFFAOYSA-N	258.369	2.711	70	20	CFID	
CC1(C)C[C@H](N[C@@H]2CCO[C@@]3(CCSC3)C2)CCO1	218656133	LJIKWAOLQXKCGA-NFAWXSAZSA-N	285.453	2.588	70	20	CFID	
Cc1ccc(CCS(=O)(=O)Cl)cc1Br	106947860	LUKMZTHDFUGLRH-UHFFFAOYSA-N	297.601	2.869	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)C12CCCCC2	161182643	DINMGSCHLDJQLY-SOUVJXGZSA-N	296.455	2.604	70	20	CFID	
COc1ccc2c(c1)CCC[C@H]2NCc1cnn(C)c1C	161312919	NEDBEJVXFLZOEV-QGZVFWFLSA-N	285.391	2.904	70	20	CFID	
CN(CCCC(=O)c1ccc(F)cc1)[C@H]1CCOC1	160035507	VWNDWAKHYXXMEV-AWEZNQCLSA-N	265.328	2.509	70	20	CFID	
Cn1nccc1/C=C/C(=O)NCC(C)(C)C1CCCC1	160067098	RXBGUCQLYFHNGS-CMDGGOBGSA-N	275.396	2.766	70	20	CFID	
CN1CC[C@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1	160101465	UAENLXUOGYQNPS-ZIAGYGMSSA-N	266.429	2.661	70	20	CFID	
C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCCN2)C1	160101763	FMMPMSHSWKMAOQ-AEFFLSMTSA-N	286.419	2.709	70	20	CFID	
COc1cc(NC(=S)NCC(C)C)ccc1F	160228434	IOYLPBXOTDSHOY-UHFFFAOYSA-N	256.346	2.777	70	20	CFID	
O=C(NCC1(CO)CCCC1)[C@H]1CCCc2ccccc21	160297515	AIJSLLLXASHWHE-INIZCTEOSA-N	287.403	2.775	70	20	CFID	
CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](CC)COC)cc1	160320322	XFOZTPYUJQMYFV-GXTWGEPZSA-N	299.436	2.903	70	20	CFID	
COc1ccccc1C(C)(C)NCCOCC1CC1	160550333	RJHRQXCDGCGFAN-UHFFFAOYSA-N	263.381	2.947	70	20	CFID	
CCCc1ccccc1NC(=O)N(C)CCCC(=O)NC	160562990	CNVCJJIKPHMVEM-UHFFFAOYSA-N	291.395	2.629	70	20	CFID	
CC[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1	160913115	UUZPEEXCRLNKCW-IRXDYDNUSA-N	292.398	2.730	70	20	CFID	
Cc1nccc(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)c1Cl	159829951	GYNYTVOLYFQHSO-GHMZBOCLSA-N	297.786	2.716	70	20	CFID	
CCc1noc([C@@H](C)N(C)Cc2cccc(N(C)C)c2)n1	159867123	LWFUVYUEKAECAU-GFCCVEGCSA-N	288.395	2.891	70	20	CFID	
CCCn1ncc(C(=O)NCC(=O)C(C)(C)C)c1C1CC1	159507826	UZPWPUNEZQBXRP-UHFFFAOYSA-N	291.395	2.516	70	20	CFID	
Cc1ccccc1NC(=O)N[C@H]1CCN(c2ccccn2)C1	159723023	ISALJAHMRJUEMO-AWEZNQCLSA-N	296.374	2.790	70	20	CFID	
CCC(C)(CC)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159373899	LBFGINAWKXUQTA-XQQFMLRXSA-N	265.397	2.887	70	20	CFID	
C[C@H](CNc1nc(C(C)(C)C)ns1)C[C@@H](C)O	159596512	SDMOHTKEFIVWIC-DTWKUNHWSA-N	257.403	2.655	70	20	CFID	
Cc1cccc(OCCCCS(=O)(=O)Cl)c1	112154949	HNWGIOSHKTXCJC-UHFFFAOYSA-N	262.758	2.723	70	20	CFID	
CCSCCN1CCCN(c2ccccc2)CC1	159458171	ACOXBFPQDUGRCN-UHFFFAOYSA-N	264.438	2.952	70	20	CFID	
Cc1ccccc1[C@@H](C)NCCCNC(=O)C(C)C	159977933	AUCRDFMBWGYETF-CQSZACIVSA-N	262.397	2.808	70	20	CFID	
Cc1cc(OCCS(=O)(=O)Cl)ccc1Cl	103977195	PSIBFDOMTOHUTD-UHFFFAOYSA-N	269.149	2.596	70	20	CFID	
CCOCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1CC	161259360	IMOCLPRLSJPEKG-ILXRZTDVSA-N	285.428	2.855	70	20	CFID	
CCCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)F)c1	1336406152	JQQFGDLDLNCKQQ-UHFFFAOYSA-N	299.367	2.607	70	20	CFID	
C[C@@H](N)CN[C@H](C)Cc1ccccc1C(F)(F)F	218302505	PDWUBLPQWIGEEV-NXEZZACHSA-N	260.303	2.573	70	20	CFID	
Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CCC[C@H](N)C1	161208363	FOMGANHMLDAMEF-QWHCGFSZSA-N	299.374	2.650	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccc[nH]2)o1	161286095	SXJROTFWODQEDH-ZDUSSCGKSA-N	274.320	2.731	70	20	CFID	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)C(C)(C)C	161421245	POXOXIYPCFAEPZ-NWANDNLSSA-N	274.408	2.764	70	20	CFID	
C[C@H](CC(=O)Nc1cnc(C2CC2)nc1)c1ccncc1	160420947	NLVHGODJPVTXHP-LLVKDONJSA-N	282.347	2.881	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cc3ccccc3o1)CC2	160551401	RCLIFPCFYGOKSR-RISCZKNCSA-N	296.374	2.998	70	20	CFID	
CC(C)[C@H](C)N[C@H](CN1CCCC1=O)c1ccccc1	160683883	XYNBSQUWTUNKKJ-GOEBONIOSA-N	274.408	2.984	70	20	CFID	
CCOCc1cccc(NC(=O)N2CCC[C@@](C)(O)C2)c1	160890965	RBQGFTAKYUGAQQ-MRXNPFEDSA-N	292.379	2.602	70	20	CFID	
CN(CC(C)(C)O)C(=O)c1occc1-c1ccc(F)cc1	159631124	NARVRUNTNJAKCI-UHFFFAOYSA-N	291.322	2.929	70	20	CFID	
C[C@@H](C(=O)NCC1CCCCC1)N(C)Cc1cccnc1	159453213	OSIFLQDUQNCBPU-AWEZNQCLSA-N	289.423	2.598	70	20	CFID	
CN(Cc1nc2ccc(F)cc2o1)C[C@H]1CCC[C@@H]1O	159736704	PFTLSAZUTXZNKF-MFKMUULPSA-N	278.327	2.560	70	20	CFID	
CCCn1nccc1CNCc1ccccc1COC	160092799	RSMNKFIJYVYPTD-UHFFFAOYSA-N	273.380	2.729	70	20	CFID	
CCCn1nccc1CNC[C@H]1Cc2ccccc21	160088713	IDKCXRKFICGTCH-CQSZACIVSA-N	255.365	2.723	70	20	CFID	
CCn1cc(CN(C)Cc2ccc(OC)cc2)cn1	159852875	WBIWKKGWZZNELV-UHFFFAOYSA-N	259.353	2.544	70	20	CFID	
CCNCCNCc1cc(Br)ccc1Cl	161296363	UMTHYKXPMBHFED-UHFFFAOYSA-N	291.620	2.802	70	20	CFID	
CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674782	PSKZPSNGPOQJSW-UHFFFAOYSA-N	291.319	2.859	70	20	CFID	
CC(C)n1cccc1C(=O)N(C)Cc1cccnc1	161058681	RYXLVCUFILNXGJ-UHFFFAOYSA-N	257.337	2.736	70	20	CFID	
CC[C@@H](C(=O)Nc1cc(C2CCCCC2)nn1C)N(C)C	161423483	RJURGCGGWKTNBE-AWEZNQCLSA-N	292.427	2.747	70	20	CFID	
CCN(C)C[C@H]1CCN(CCC(=O)c2ccc(C)cc2)C1	160020930	YFRILODACGUORX-MRXNPFEDSA-N	288.435	2.841	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CC[C@@H](C)C[C@H](C)C1	160067668	XWXYDVGTWPEVKV-KGLIPLIRSA-N	298.427	2.796	70	20	CFID	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCCO1	160323851	OHBOPWTVHAZMSN-SMDDNHRTSA-N	265.328	2.914	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N[C@@H](C)CN2CCCCC2)on1	160369454	GHLZMJUQDYYTEH-OLZOCXBDSA-N	293.411	2.792	70	20	CFID	
Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(F)n1	160602963	JVOYCCIXQSJHIN-UHFFFAOYSA-N	276.315	2.504	70	20	CFID	
CCOCc1ccc(NC(=O)N[C@@H](COC)C2CC2)cc1	160685710	ZJCSYIZTNQHITB-HNNXBMFYSA-N	292.379	2.770	70	20	CFID	
CC1(C)CCCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)C1	160876465	WBRGPCZZMJLYSS-AWEZNQCLSA-N	293.455	2.835	70	20	CFID	
C[C@]1(NC(=O)Nc2ccc(Cl)cc2F)CCOC1	159403226	KQZSWYFENQNTTK-LBPRGKRZSA-N	272.707	2.780	70	20	CFID	
C[C@H](NCCC(C)(C)C)c1nnnn1-c1ccccc1	159881632	SHRDVSQDCLSTTJ-LBPRGKRZSA-N	273.384	2.749	70	20	CFID	
COc1ccc(N(C)C(=O)COc2ccccc2)cc1F	159539508	JHZJTVQIWDKWEC-UHFFFAOYSA-N	289.306	2.876	70	20	CFID	
Cc1ccc(F)c(NC(=O)NCCc2cscn2)c1	159540950	XOCYIMOLENRCGT-UHFFFAOYSA-N	279.340	2.955	70	20	CFID	
Cc1ccc(CC(=O)NCCc2cc3ccccc3[nH]2)cn1	159541869	MQHWYGBPJRWCOW-UHFFFAOYSA-N	293.370	2.773	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(Cl)c[nH]1	159568951	MEEYYASVNALCRA-LLVKDONJSA-N	282.771	2.890	70	20	CFID	
COc1cc(NC(=O)c2cc(F)ccc2O)ccc1F	160407967	WXVKTRMUCLVTSS-UHFFFAOYSA-N	279.242	2.931	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1120944716	WEZTWRQLZFVPRF-GXFFZTMASA-N	299.367	2.653	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCCC[C@H]1C	1337811348	ZKBZLNXAAPAHMF-LLVKDONJSA-N	299.367	2.668	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1cc2c(s1)CCCCC2	218014776	ODQNOXSCGSOTKJ-CHWSQXEVSA-N	293.432	2.908	70	20	CFID	
COc1ccc(-c2noc([C@H]3CCC(=O)C[C@H]3C)n2)cn1	161011280	LPUULOPFJXXWMA-SKDRFNHKSA-N	287.319	2.613	70	20	CFID	
CCc1ncc(NC(=O)N(C)Cc2ccccc2)cn1	161190460	LZYDFAVBQKOPRG-UHFFFAOYSA-N	270.336	2.703	70	20	CFID	
C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)c2ccccc21	160035473	LKZHMNUVJUVWHB-CHWSQXEVSA-N	281.359	2.596	70	20	CFID	
Cc1cc(C(=O)N(C)c2ccc3c(c2)OCO3)c(C)o1	160078888	KVIQSDWBGJMKQX-UHFFFAOYSA-N	273.288	2.902	70	20	CFID	
CCC(CC)(CC)CNC(=O)N1CCC[C@@H](NC(C)=O)C1	160084571	VAKZEKQUNTXXDP-CQSZACIVSA-N	297.443	2.513	70	20	CFID	
CC(C)OCCCN1CC[C@H](Nc2ccccc2)C1	160279920	FJOFCDMXJSXZCH-INIZCTEOSA-N	262.397	2.988	70	20	CFID	
CCc1ncnc(N[C@H]2CCO[C@@H](C3CC3)C2)c1F	160424363	IYIMAFSEFFVCAS-CMPLNLGQSA-N	265.332	2.548	70	20	CFID	
CC(C)(C)c1nc(CCNC(=O)c2cc[nH]c2)cs1	160662843	JFAZGGGECUNJDT-UHFFFAOYSA-N	277.393	2.741	70	20	CFID	
O=C(NOCc1cccnc1)NC1CCCCCC1	160987024	GWLDOWCLQKCTIH-UHFFFAOYSA-N	263.341	2.535	70	20	CFID	
CCOCCN(C)C(=O)Nc1ccnc(C)c1Cl	159407521	JNZQTFBTMRDVOQ-UHFFFAOYSA-N	271.748	2.544	70	20	CFID	
CC(C)CCN(C)C(=O)c1ccc(C(=O)NC(C)C)cc1	159809127	GMCBFCPVJXAEGZ-UHFFFAOYSA-N	290.407	2.943	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N[C@H](C)Cc1ccc(C)s1	159663826	OZVILQXQBHIUML-GHMZBOCLSA-N	289.466	2.953	70	20	CFID	
COc1cc(C(=O)NCC2(C3CC3)CC2)cc(OC)c1C	159672736	HPKLVSVASJBYCS-UHFFFAOYSA-N	289.375	2.932	70	20	CFID	
Cc1nc(C)c(CNC(=O)CCCn2cccc2)s1	159689341	JKJATASHVZWXQY-UHFFFAOYSA-N	277.393	2.658	70	20	CFID	
CN(CCCCS(C)(=O)=O)Cc1ccccc1Cl	161159336	DDTOIGGEPYQGKH-UHFFFAOYSA-N	289.828	2.597	70	20	CFID	
Cc1occc1CN(C)CCCN1CCCCC1	160679261	LMPGKTTZNMOSHQ-UHFFFAOYSA-N	250.386	2.896	70	20	CFID	
CC(C)=C(F)C(=O)Nc1cccc(S(=O)(=O)F)c1	460094253	PIQVLQBMYMMINO-UHFFFAOYSA-N	275.276	2.547	70	20	CFID	
COC(CN(C)[C@@H](c1ccccc1)C(C)C)OC	161087706	QUOKIJQJXMLNEE-OAHLLOKOSA-N	251.370	2.934	70	20	CFID	
CCO[C@@H](CCN(C)C)CNC(=O)C1CCC(C)(C)CC1	161098574	BPZCIMCAGZEHPR-HNNXBMFYSA-N	298.471	2.676	70	20	CFID	
CC(C)c1ccc(S(=O)(=O)CCCCCO)cc1	161204846	VGEPWKQMYWZTSG-UHFFFAOYSA-N	270.394	2.746	70	20	CFID	
CCC(=O)c1cccc(NC(=O)N[C@H](COC)C2CC2)c1	161205554	RTOAIZROKDXDLY-CQSZACIVSA-N	290.363	2.826	70	20	CFID	
C[C@H](CC(=O)Nc1cc(CN(C)C)ccn1)c1ccncc1	161255252	CKJSBIPWQXJUQN-CYBMUJFWSA-N	298.390	2.671	70	20	CFID	
CC1=C(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CCCO1	160250882	XQOQMOYCCZOAKE-NSHDSACASA-N	275.348	2.524	70	20	CFID	
COc1ccc2nc(C)cc(C(=O)Nc3cn[nH]c3)c2c1	160397923	SCDANKRRWSBVMN-UHFFFAOYSA-N	282.303	2.527	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1nc(C2CC2)cs1	160548977	LKTMVIQPPGXVJR-QMMMGPOBSA-N	254.355	2.774	70	20	CFID	
CC(C)c1nc(C(=O)N(C)Cc2cccn2C)cs1	160557903	OVNRWJAPLHLTGL-UHFFFAOYSA-N	277.393	2.877	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2	160579920	YGRXEUWFJVUXDQ-DTZQCDIJSA-N	290.455	2.952	70	20	CFID	
C[C@H](N(C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1(C)CC1	160620535	CRCNZPKUWDNPOR-UBHSHLNASA-N	280.412	2.774	70	20	CFID	
COCCOc1cccc(CC(=O)N2CCC[C@@H](C)C2)c1	160924649	RYBWIMFJFDGTAP-CQSZACIVSA-N	291.391	2.513	70	20	CFID	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C[C@@H]2CCCN2)C1	159430378	QGQFBVDEMWYDIY-WWGRRREGSA-N	290.382	2.877	70	20	CFID	
CCC[C@H](CCO)CNC(=O)c1ccc(C(C)C)nc1	159832252	LXCAXBJEERAXCQ-CYBMUJFWSA-N	278.396	2.734	70	20	CFID	
CCCCCn1nc(C)c([C@H](C)C(=O)OC)c1C	159855331	LBTLSBADFUERTH-JTQLQIEISA-N	252.358	2.967	70	20	CFID	
CCCCOc1ccccc1NC(=O)C[C@H]1COC(=O)C1	159463224	GMZGVWPVECOHKB-GFCCVEGCSA-N	291.347	2.757	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CCC[C@@H]2O)cc1	159669369	LMOBTPDCGFHSRO-BMFZPTHFSA-N	290.407	2.858	70	20	CFID	
CC(C)(C)c1cc(C(=O)NCC2(C3CC3)CC2)[nH]n1	159887546	KNNSBWSYJHLGBJ-UHFFFAOYSA-N	261.369	2.627	70	20	CFID	
CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCC[C@H]1O	159447690	CLSVDTGEQNYLRO-ZIAGYGMSSA-N	261.365	2.627	70	20	CFID	
CCn1nc(CNCC(C)(C)OC)c2ccccc21	160247143	UMWXDNQHFZNLFF-UHFFFAOYSA-N	261.369	2.571	70	20	CFID	
CC[C@@H](C)CNCc1cncc(Br)c1	160574849	JXWDLMDKSIEIAV-SECBINFHSA-N	257.175	2.980	70	20	CFID	
Cc1ccc(OC[C@H](C)CS(=O)(=O)Cl)cc1	108304651	VMPRVGFKINYYOC-JTQLQIEISA-N	262.758	2.579	70	20	CFID	
CCC[C@@H](COC1CCCC1)CS(=O)(=O)Cl	114476495	KMCCIOHMMQOHLM-JTQLQIEISA-N	268.806	2.931	70	20	CFID	
CCc1ncnc(N[C@@H](C)c2c(C)noc2C)c1F	218018437	LQWGYUCJHKFNEA-ZETCQYMHSA-N	264.304	2.956	70	20	CFID	
Cc1c(NC(=O)N(C)CC(F)F)cnn1CCC(C)C	161308843	LGGGYFCKHAMJKL-UHFFFAOYSA-N	288.342	2.966	70	20	CFID	
CS[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C)o1	161500859	DAOWLBOTXGCKCV-CYBMUJFWSA-N	298.452	2.620	70	20	CFID	
CC[C@@H](COC)NCCC1CCN(CC(F)(F)F)CC1	160036229	DNZMWFXEFIQADO-ZDUSSCGKSA-N	296.377	2.665	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccccc1OC(C)C	160553037	XEOGKCQZBDDOMA-GFCCVEGCSA-N	293.363	2.545	70	20	CFID	
Cc1ccc(C)c(-n2ncc(C(=O)NC(C)C)c2C)c1	160960934	PBWGWHBZXKRTST-UHFFFAOYSA-N	271.364	2.936	70	20	CFID	
C[C@@H](C(=O)N(C)C[C@H]1CCCOC1)c1cccs1	159448140	QUESYHIHOUVZHI-VXGBXAGGSA-N	267.394	2.737	70	20	CFID	
CCCn1c(NC(=O)[C@@H]2CCCCO2)nc2ccccc21	159688981	LPQWJMYKFHDGLM-AWEZNQCLSA-N	287.363	2.954	70	20	CFID	
O=C(CN1CCCC[C@@H]1CO)Nc1ccc2ccccc2c1	159714823	HIBMYRSOTJBUDR-QGZVFWFLSA-N	298.386	2.625	70	20	CFID	
CCN(CC(C)C)C(=O)c1ccc(CN(C)C)cc1	159923675	LAUPFMIFRKDVIC-UHFFFAOYSA-N	262.397	2.866	70	20	CFID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](CC2CCCC2)C(C)C)C1	159548056	GJPWYZBHWNWWNN-HOTGVXAUSA-N	294.439	2.576	70	20	CFID	
CCN1CCCN(C(=O)NC[C@H]2CCC[C@H](C)C2)CC1	159742074	OUVMKQHFGNWROG-GJZGRUSLSA-N	281.444	2.550	70	20	CFID	
C[C@@H](CNC(=O)CCc1cncc(F)c1)c1nccs1	159799170	RPFWJUGVDDZQSW-JTQLQIEISA-N	293.367	2.530	70	20	CFID	
CCSCC[C@H](C)NC[C@@H](O)COc1cccc(C)c1	160140117	QRBJPPJTHHBHJW-LSDHHAIUSA-N	297.464	2.856	70	20	CFID	
CCCCc1ccc(C(=O)N(CC)CCCO)cc1	160560426	RIYMMNGUODBHIN-UHFFFAOYSA-N	263.381	2.874	70	20	CFID	
CNC(=O)[C@H](CC(C)C)NCc1cc(F)cc(Cl)c1	160888877	SQTBXYAPMJPADF-ZDUSSCGKSA-N	286.778	2.729	70	20	CFID	
COc1ccc(CN(C)C[C@H]2CCOC2)cc1Cl	160685407	HDFNFLIEPPDYOS-GFCCVEGCSA-N	269.772	2.817	70	20	CFID	
CC[C@@H]1CO[C@@H](C)CN1C[C@@H](O)c1cc2ccccc2o1	216972033	RSZWYTFDHSCRNK-NWANDNLSSA-N	289.375	2.966	70	20	CFID	
CC(C)CCC(=O)Nc1cccc(S(=O)(=O)F)c1	460091087	JECALOBHBPKUJR-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
CC[C@H](C)N(C)CCNCc1c[nH]nc1-c1cccs1	217392179	KRGDONNDUIJUFC-LBPRGKRZSA-N	292.452	2.958	70	20	CFID	
CC[C@H](O)CCNCc1cccc(OC(F)(F)F)c1	217872273	GZMGUDVATZLZBL-NSHDSACASA-N	277.286	2.836	70	20	CFID	
O=C(CC1CCSCC1)NCc1ccc(O)c(F)c1	161020885	WUTUKNVTGKVKIP-UHFFFAOYSA-N	283.368	2.681	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@H](C)C(=O)OC(C)C)o1	161101723	YMANLTAMHYXCSN-BZYZDCJZSA-N	293.363	2.654	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@@H]1Cc1ccccc1	161328348	OHLMOPFLTSHXIW-MRXNPFEDSA-N	295.448	2.518	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N[C@@H](CCO)C(C)(C)C)o1	161343542	OJAPBRQMYIVAGA-AAEUAGOBSA-N	282.384	2.745	70	20	CFID	
CC(C)(N)CNC(=O)c1cccc(OC2CCCCC2)c1	160004738	YINKCZLILZHZBC-UHFFFAOYSA-N	290.407	2.865	70	20	CFID	
CSC[C@H](CCO)N[C@H]1CCc2ccc(C)cc21	160326804	JUOHWARRDXAZJX-ZFWWWQNUSA-N	265.422	2.686	70	20	CFID	
Cn1cnc2cc(C(=O)NCCCCC(C)(C)C)cnc21	160395603	ZMFMHQQFUJORDI-UHFFFAOYSA-N	288.395	2.915	70	20	CFID	
c1ccc2[nH]c(N[C@H]3CCO[C@H](C4CC4)C3)nc2c1	160397379	WOWSMURIMUPWTA-FZMZJTMJSA-N	257.337	2.932	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(Cl)cn1C	160452349	STYLULAQXFLFQG-CYBMUJFWSA-N	297.830	2.529	70	20	CFID	
CCO[C@@H](C)C(=O)NCCc1csc(C(C)(C)C)n1	160633520	ILCJMCAGXLNKEB-JTQLQIEISA-N	284.425	2.524	70	20	CFID	
CC(C)COc1cncc(N[C@H]2CCOC(C)(C)C2)n1	160687452	NOICAZSUJHCIDE-LBPRGKRZSA-N	279.384	2.881	70	20	CFID	
CCCC1(CNC(=O)CCCc2nc(C3CC3)no2)CC1	160720526	CCEXGYWGISLDPD-UHFFFAOYSA-N	291.395	2.966	70	20	CFID	
CC(C)C1(CNC(=O)[C@@H]2CCCCCC[C@@H]2N)CC1	160819136	PYSFQGYUXARZOU-KGLIPLIRSA-N	266.429	2.837	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnn(-c2ccccn2)c1C	159848173	TYDSFEMNLGMAKP-ZFWWWQNUSA-N	298.390	2.884	70	20	CFID	
Cc1ccc(C)c(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159469536	NBZKBMPHKHCTHK-UHFFFAOYSA-N	286.375	2.645	70	20	CFID	
O=C1CCCN1CCCN[C@@H](Cc1ccccc1)C1CC1	159474499	VRILVCZLCGEBKM-KRWDZBQOSA-N	286.419	2.610	70	20	CFID	
CC(C)C[C@H]1CCCCCN1C(=O)CNCC1CC1	159917666	CVDMIADMGAKMSG-OAHLLOKOSA-N	266.429	2.803	70	20	CFID	
C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCCN1CCCC1=O	159589932	DPPWIWQERBZFTL-YVEFUNNKSA-N	290.382	2.661	70	20	CFID	
CCN(C(=O)c1cc2ccc(F)cc2s1)[C@@H]1CCNC1	161202335	WKZZIYJUVHCWSL-GFCCVEGCSA-N	292.379	2.864	70	20	CFID	
CSCC[C@@H](C)N(C)C(=O)[C@H]1CNc2ccccc21	161261260	MCRIUVINIYSAEQ-YPMHNXCESA-N	278.421	2.796	70	20	CFID	
Cc1ccc(Cl)c(OCCS(=O)(=O)Cl)c1	108304196	WDQLXCYBWGEBPT-UHFFFAOYSA-N	269.149	2.596	70	20	CFID	
CCN(CC)C[C@@H]1CCN(CCCN2CCCCC2)C1	161314068	ASHCUJVPEWIMHX-KRWDZBQOSA-N	281.488	2.526	70	20	CFID	
Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460094221	RLVYXIXYUNSZJE-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
Cc1cc(Cl)cc(C(=O)NC[C@H]2CCC[C@H](O)C2)c1	217831278	YKIHIVJIJYRZEU-FZMZJTMJSA-N	281.783	2.929	70	20	CFID	
O=S(=O)(Cl)c1ccccc1CC(F)(F)F	103600542	UTAVOKSCSLXZPY-UHFFFAOYSA-N	258.648	2.719	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ccc(O)cc1	161065203	NIIKKYMEWMJUQI-GOSISDBHSA-N	265.334	2.559	70	20	CFID	
COc1cccc(COCCNC(=O)N[C@H](C)C(C)C)c1	161360305	OPRMXUBNTZQREO-CYBMUJFWSA-N	294.395	2.556	70	20	CFID	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@H]1CCCN1	161385893	XRBMSHORXHVCBE-IAGOWNOFSA-N	288.435	2.917	70	20	CFID	
CCC[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	161396310	AJZYBTMNDDODME-STQMWFEESA-N	276.380	2.532	70	20	CFID	
Cc1ccsc1[C@H](C)NCCN1CCC(N(C)C)CC1	160210616	PJOKRCSXQKCWPF-AWEZNQCLSA-N	295.496	2.733	70	20	CFID	
COC(=O)c1ccc(NC(=O)N(C)CCC2CC2)cc1F	160418435	QQVGSQHQVNPFFV-UHFFFAOYSA-N	294.326	2.876	70	20	CFID	
CCOCCCC(=O)Nc1cccc(OCCF)c1	160450387	GLBIIHCZOGQFDD-UHFFFAOYSA-N	269.316	2.790	70	20	CFID	
CCO[C@H]1C[C@@H](N(C)C(=O)CCCCCCN)C1(C)C	160498690	IKUSHIKWOXUYHW-KGLIPLIRSA-N	284.444	2.558	70	20	CFID	
Cn1cc(CNC(=O)CC2CCC(C)(C)CC2)cn1	160698266	TZWYJYVDEBRGMG-UHFFFAOYSA-N	263.385	2.643	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NC1(C(=O)OC)CCCCCC1	160880321	NUVISLUCQWILRF-WFASDCNBSA-N	281.396	2.805	70	20	CFID	
C[C@@H](O)C[C@H](CNC(=O)c1ccoc1)c1ccccc1	159614964	KYSFCIAIVMUSBN-IUODEOHRSA-N	273.332	2.564	70	20	CFID	
C[C@@H](NCc1nnc2n1CCCCC2)c1ccccc1	159633431	KCGJJHOOFMRJGW-CYBMUJFWSA-N	270.380	2.855	70	20	CFID	
CCc1ccsc1C(=O)Nc1c[nH]c(=O)c(C)c1	159449770	HGEKTEUZIHZZJR-UHFFFAOYSA-N	262.334	2.560	70	20	CFID	
CCCCCCNC(=O)N1CCCN(CC(F)F)CC1	159662194	CUARQPWOLRXBLA-UHFFFAOYSA-N	291.386	2.549	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	159738686	BQLMHEAQYMMSTP-JTQLQIEISA-N	288.351	2.534	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCC2(N)CCCCC2)C1	159654267	MYOMAXNKNHGKHH-OLZOCXBDSA-N	252.402	2.591	70	20	CFID	
C[C@H](NC(=O)C[C@H](C)[C@@H]1CCCNC1)c1cccs1	160729677	JSXKVPDLOFPKIC-RWMBFGLXSA-N	280.437	2.951	70	20	CFID	
CC1(C)CC[C@H](COC(=O)c2ccc(N)c(F)c2)O1	160787903	AMJBEEISXQMVHT-SNVBAGLBSA-N	267.300	2.522	70	20	CFID	
C[C@@H](NCc1ccc(Cl)cc1F)C(=O)N1CCCCC1	160780831	JHXYMLVGYGRCDV-LLVKDONJSA-N	298.789	2.970	70	20	CFID	
CCOCCN(CC)Cc1noc(C2CCCCC2)n1	160085771	NXLAIBSEQKHYKT-UHFFFAOYSA-N	281.400	2.976	70	20	CFID	
CCN(Cc1ccncc1)C[C@H](O)c1ccccc1F	218153531	XCBJZKAIOAEHDR-INIZCTEOSA-N	274.339	2.776	70	20	CFID	
CC[C@H]1COCCN1C[C@@H](O)c1cc2ccccc2o1	216936429	MOFMTFWRMRDQSU-UONOGXRCSA-N	275.348	2.577	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)C(C)(C)C	1518262284	GSZUTNZCYSBHPT-UHFFFAOYSA-N	287.356	2.524	70	20	CFID	
CCOC(C)(C)CNC(=O)c1ccc(Br)o1	159471109	JVZSRQBSPPAQEU-UHFFFAOYSA-N	290.157	2.587	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)C2CCOCC2)o1	161217194	RVOIYMJVQCMDBQ-CQSZACIVSA-N	293.363	2.516	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)Nc2ccc(C)nc2)c1	161337157	MKGBNMXLOLPLEO-UHFFFAOYSA-N	284.319	2.992	70	20	CFID	
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CC(O)C3)cc2C1	161447498	NGBWDJBXYKBPPI-LLVKDONJSA-N	293.432	2.716	70	20	CFID	
COc1ccc2c(c1)C=C(C(=O)N1[C@H](C)CC[C@H]1C)CO2	161476897	HIDTXSUHUUCKSD-VXGBXAGGSA-N	287.359	2.870	70	20	CFID	
CCCN(CCc1cccc(F)c1)C(=O)[C@H]1CCCNC1	160096956	WXJKOSUJOBOAHK-HNNXBMFYSA-N	292.398	2.606	70	20	CFID	
Cc1ncncc1C(=O)N[C@H]1CCCc2sccc21	160189272	NGCSIRCFPOVSNM-LBPRGKRZSA-N	273.361	2.654	70	20	CFID	
Cc1csc(=O)n1CC(=O)COc1ccc(Cl)cc1	160310561	QBWHAMBXWWGTEC-UHFFFAOYSA-N	297.763	2.520	70	20	CFID	
Cc1cnc(N2CCN([C@H](C)c3ccsc3)CC2)nc1	160514464	FWHQRHIYXKKUAX-CYBMUJFWSA-N	288.420	2.730	70	20	CFID	
CN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CCCCC1	160539100	HIWINWYMXDSHPI-DZGCQCFKSA-N	280.412	2.918	70	20	CFID	
O=C(Nc1ccc2[nH]ccc2c1)N1CCOC2(CCC2)C1	160775789	LDBZMKWGFASNPN-UHFFFAOYSA-N	285.347	2.955	70	20	CFID	
COCCC1(C(=O)N2CCc3c(F)cccc3C2)CC1	160889961	IWLGYVDPGDLNMH-UHFFFAOYSA-N	277.339	2.527	70	20	CFID	
C[C@@H](CCc1cccn1C)NC(=O)CCCn1cccc1	159707478	PNPYXKYXLWHPEX-HNNXBMFYSA-N	287.407	2.744	70	20	CFID	
O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCCO1	159774099	ADZBWXZHOWIEHK-LBPRGKRZSA-N	287.281	2.891	70	20	CFID	
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@H]1CCCC1(C)C	159580626	VYEHTZUXZAKYDQ-STQMWFEESA-N	284.444	2.907	70	20	CFID	
Cc1c(CCC(=O)NC[C@@H]2CCCC[C@H]2C)cnn1C	159983524	NZLLAVSVOFPQOI-OCCSQVGLSA-N	277.412	2.604	70	20	CFID	
CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(Cl)o1	218199454	CXHACZGKZGWRKV-LLVKDONJSA-N	295.770	2.974	70	20	CFID	
CCCC(CCC)(COC)CS(=O)(=O)Cl	114474959	OJTROWDSSJPHGC-UHFFFAOYSA-N	256.795	2.788	70	20	CFID	
O=C(/C=C/c1ccco1)Nc1cccc(S(=O)(=O)F)c1	769662855	PZKKKHVFTXFXIA-VOTSOKGWSA-N	295.291	2.590	70	20	CFID	
CCn1cc(CNc2cc3c(cc2Cl)OCCO3)cn1	218128496	ILFTXJJVTVLMGK-UHFFFAOYSA-N	293.754	2.940	70	20	CFID	
CCc1ccc(C(C)(C)C(=O)N[C@H]2CCC[C@@H](N)C2)cc1	161003032	ARNKBEMORSAGLK-CVEARBPZSA-N	288.435	2.913	70	20	CFID	
O=C(COc1ccccc1)N1CCc2c(F)cccc2C1	161061665	MFZGYPHVJWQISE-UHFFFAOYSA-N	285.318	2.789	70	20	CFID	
Cc1nc(NC(=O)CC[C@H]2CCCCO2)cc(C2CC2)n1	160025317	NRZHRGQXYFGWLQ-CYBMUJFWSA-N	289.379	2.950	70	20	CFID	
Cc1cccc([C@@H](NC(=O)[C@H]2CCOC2)c2ccccn2)c1	160075033	ZJCQKFJDWGDQQA-DOTOQJQBSA-N	296.370	2.632	70	20	CFID	
CC[C@@H](CN[C@@H](COC)C1CC1)Oc1ccccc1F	160342176	ZCGSHYWUJKXKFZ-ZFWWWQNUSA-N	281.371	2.998	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(C)c1C)CC2	160350693	RYEFIMYGXVDAOT-UKRRQHHQSA-N	284.407	2.869	70	20	CFID	
CC1(C)C[C@H](NCc2cccnc2Cl)CCO1	160440165	YSKVRXXAUZJNNK-LLVKDONJSA-N	254.761	2.782	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1c(C)noc1C	160518971	KALMLJGNQSTSOP-FRRDWIJNSA-N	262.353	2.905	70	20	CFID	
CCC[C@@H]1CCCN(c2nc(CCOC)ns2)C1	160586541	HKFQBTKOAPVANW-LLVKDONJSA-N	269.414	2.744	70	20	CFID	
COc1ccc(CCCNC(=O)C[C@@H](C)SC)cc1	160733616	WCUPJNFWBTZEGM-GFCCVEGCSA-N	281.421	2.886	70	20	CFID	
COc1cc(C(=O)NC2CCCCCC2)cc(OC)c1O	160815701	CELAIXPPCIECOZ-UHFFFAOYSA-N	293.363	2.862	70	20	CFID	
CCCCC[C@@H](C)NC(=O)NOCc1cccnc1	160986637	BSXGNRCPMMXLKB-GFCCVEGCSA-N	265.357	2.781	70	20	CFID	
Cc1c(C(=O)N[C@H]2CCCc3sccc32)cnn1C	159860867	WZCCMECVAPUMCU-LBPRGKRZSA-N	275.377	2.597	70	20	CFID	
COCC1CCN(C(=O)[C@H](C)Cc2ccccc2F)CC1	159956406	CARALIZCIJQDIE-CYBMUJFWSA-N	293.382	2.889	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(-c2ccccc2)[nH]n1	159990210	WKCPFSDUACIXQQ-UHFFFAOYSA-N	281.359	2.997	70	20	CFID	
Cc1ccc(SCCC(=O)N2CCC(C)(O)CC2)cc1	161298171	PDYWMWXJQZKDOE-UHFFFAOYSA-N	293.432	2.851	70	20	CFID	
CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)F)cc1	185107166	UHOMWDHUXSDVPL-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
Cc1ccccc1[C@H](C)NCCCNC(=O)C(C)C	159978083	AUCRDFMBWGYETF-AWEZNQCLSA-N	262.397	2.808	70	20	CFID	
CC(C)(C(=O)Nc1cccc(S(=O)(=O)F)c1)C(F)F	460094242	RNCCIGKFKHNMIY-UHFFFAOYSA-N	295.282	2.575	70	20	CFID	
CC(C)N(C)CCCNCc1cccc2cc[nH]c12	218092082	GCPISAOKLOFGLE-UHFFFAOYSA-N	259.397	2.988	70	20	CFID	
COC[C@@H](Cc1ccccc1)N[C@H](CCO)c1ccccc1	161027708	WXTSOAKELPQGMU-RTBURBONSA-N	299.414	2.957	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@]1(C)CCCO1	161139025	UMBUUANVFABIHK-NFAWXSAZSA-N	253.386	2.983	70	20	CFID	
CCO[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1	161150745	HQXAWTZUAXYQOA-CQSZACIVSA-N	297.345	2.925	70	20	CFID	
Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@H](N)C2)s1	161225905	UOCIVSPLMZBSPM-QWHCGFSZSA-N	280.437	2.765	70	20	CFID	
CC(C)NCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C	161245599	SGMCAOYZKNDUMN-UKRRQHHQSA-N	292.398	2.918	70	20	CFID	
COCCCC(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161433686	QOEBWSOVLCIGDC-LBPRGKRZSA-N	297.782	2.746	70	20	CFID	
CCn1cc([C@@H](C)NC[C@](C)(O)c2ccsc2)cn1	160024675	ZYDONWLHXUXNNI-RISCZKNCSA-N	279.409	2.523	70	20	CFID	
COc1ncccc1C(=O)N[C@@H]1CCCc2sccc21	160079475	JMNIPCGNDBLLBM-GFCCVEGCSA-N	288.372	2.959	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)c1cccc(F)c1	160138114	URYZQYLXFHUREL-NSHDSACASA-N	295.354	2.561	70	20	CFID	
Cc1cc(C(=O)N2CCOc3ccncc32)cc(C)c1F	160242321	ZTVGLHYEMFPDLX-UHFFFAOYSA-N	286.306	2.877	70	20	CFID	
CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCSC1	160400777	INEOKVJIYGOXKT-NSHDSACASA-N	279.409	2.722	70	20	CFID	
CCCCN(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160580474	PTRZRXLXAKPWLX-UHFFFAOYSA-N	287.367	2.746	70	20	CFID	
CCCCN(C)C(=O)CSc1ncnc(CC)c1F	160702290	SKECIJKCAKMNQI-UHFFFAOYSA-N	285.388	2.529	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@H]2C)c1	160718777	GJRAAIWODPBROZ-RKDXNWHRSA-N	282.365	2.797	70	20	CFID	
COCC(C)(C)C(=O)N(C)CCOc1cccc(Cl)c1	160795328	VZZPJHGWKIKXEU-UHFFFAOYSA-N	299.798	2.850	70	20	CFID	
CN(CCCOCCc1ccccc1)C[C@@H]1CCC[C@@H]1O	159483197	GQKUQWFCAIAMLW-ROUUACIJSA-N	291.435	2.729	70	20	CFID	
CC(C)CCn1ccc(N[C@H](C)C(=O)NC(C)(C)C)n1	159917606	OATOSTGMSMMQMK-GFCCVEGCSA-N	280.416	2.644	70	20	CFID	
C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O	159403922	NBDPUOWZONHXKE-GWCFXTLKSA-N	273.298	2.908	70	20	CFID	
C[C@@H](NC1CC(C)(C)NC(C)(C)C1)C1CCOCC1	159640725	CZBYXMNMGZIIBD-GFCCVEGCSA-N	268.445	2.700	70	20	CFID	
C[C@@H](NCC1(CO)CCCC1)c1ccc2c(c1)CCO2	160093928	JGUKYVHYACRUFC-CYBMUJFWSA-N	275.392	2.825	70	20	CFID	
CC(=O)Nc1ccc(CN[C@@H]2CCOC(C)(C)C2)cc1	160571572	WGUJFBWYTJTVKN-OAHLLOKOSA-N	276.380	2.692	70	20	CFID	
C[C@H](NCc1ccc(Cl)cc1F)c1nnc2n1CCC2	160761836	YFDZJQVQUIOSCF-VIFPVBQESA-N	294.761	2.868	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)CCc2ccccc2Cl)C1	161391422	OICCDDNFPWZOLS-OLZOCXBDSA-N	280.799	2.659	70	20	CFID	
CC(C)(C)OC(=O)N1CCC[C@@H](N2CCCC2)CC1	160121014	NJYCCBAXJLPHOV-CYBMUJFWSA-N	268.401	2.872	70	20	CFID	
C[C@@H]1CCCC[C@H]1CNC[C@@H](O)COc1ccccc1	218440515	OLWHJSJKBHMZHJ-OWCLPIDISA-N	277.408	2.842	70	20	CFID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H]2CCN(C)C[C@@H]2C)C1	161017047	AHHYPUKIXKFRNJ-GVDBMIGSSA-N	295.515	2.817	70	20	CFID	
Cc1cc(NC(=O)CSCCN(C(C)C)C(C)C)on1	161070846	IDKNKYPVRLLPPN-UHFFFAOYSA-N	299.440	2.774	70	20	CFID	
CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@@H]1CCCN1	161107646	RQNYFCTXPRRQSX-JKSUJKDBSA-N	274.408	2.608	70	20	CFID	
CC1CCN(C2CCC(NC(=O)[C@H]3C[C@@H]3C)CC2)CC1	161504195	IPAICMWXOXIXPT-LBDPXKHJSA-N	278.440	2.802	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H]1CCC[C@H](C)C1	160079079	ISKSDPDYJWZXQG-AVGNSLFASA-N	269.385	2.661	70	20	CFID	
CC(C)OC(=O)CCCNc1ncnc2c1CCCCC2	160254162	BEKSAUJZCOJBRR-UHFFFAOYSA-N	291.395	2.889	70	20	CFID	
C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)c1ncc(-c2ccccc2)o1	160474618	ZOLNAFCEYIDHAK-BNOWGMLFSA-N	299.374	2.646	70	20	CFID	
Cc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)cn1	160488369	BROUQQBIXIRMPU-LBPRGKRZSA-N	289.360	2.950	70	20	CFID	
CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](NC)C1	160584180	NWQSOVONLPQHMJ-LSDHHAIUSA-N	266.429	2.803	70	20	CFID	
CC[C@@H](NC(=O)CC[C@H]1CCOC1)c1c(C)noc1C	160667842	BXBUKCHGYXHWGY-QWHCGFSZSA-N	280.368	2.675	70	20	CFID	
COc1cccc(CCCN2CCN(CC3CC3)CC2)c1	159404658	SMUINXDPZKDKNP-UHFFFAOYSA-N	288.435	2.655	70	20	CFID	
Cc1ccc(NC(=O)c2cn(-c3cccc(C)c3)nn2)nc1	159838987	DYRXEWMGVUWUGG-UHFFFAOYSA-N	293.330	2.531	70	20	CFID	
CCCn1c(C)nnc1CN1CCC[C@@H]2CCC[C@@H]21	159674785	NUTGKINIZNNLCN-KBPBESRZSA-N	262.401	2.761	70	20	CFID	
O=C(CC[C@H]1CCOC1)NCCc1cc2ccccc2[nH]1	159678369	UTPWSXNPGBLFPH-ZDUSSCGKSA-N	286.375	2.643	70	20	CFID	
CC[C@H]1CCCCN1CCNC(=O)CCCn1cccc1	159530532	QGGNZICTBZDIPX-INIZCTEOSA-N	291.439	2.649	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@@H]1CCC[C@H](C)C1	160795487	JWLSDGDIUFPGND-UONOGXRCSA-N	275.458	2.710	70	20	CFID	
O=S(=O)(F)c1c[nH]c2cc(C(F)(F)F)ccc12	1887504020	ZZXDPLRJBPLMSG-UHFFFAOYSA-N	267.203	2.845	70	20	CFID	
CCOCCCNC(=O)NCc1ccc(Cl)cc1	217315245	DVIFOAQXLMGGRU-UHFFFAOYSA-N	270.760	2.566	70	20	CFID	
c1cncc(CCNCc2cccc3cc[nH]c23)c1	218101203	MRIPVECZTZCHKI-UHFFFAOYSA-N	251.333	2.895	70	20	CFID	
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H]1CCCNC1	161098068	RHFUAWCNLNCULX-OZVIIMIRSA-N	290.382	2.565	70	20	CFID	
CCc1ncc(NC(=O)N(C2CC2)[C@@H](C)C2CC2)cn1	161187309	OQAUVNXTUWYMTF-JTQLQIEISA-N	274.368	2.834	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC[C@@]2(C)CCCO2)n1	161392039	JPGFHNDMUJJZKW-OAHLLOKOSA-N	294.399	2.620	70	20	CFID	
CCCc1nnc(NC(=O)c2ccnn2C(C)C)s1	160100764	YPVZXHPEAMBKPL-UHFFFAOYSA-N	279.369	2.520	70	20	CFID	
COC[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1	160206208	DVEFCYLFNHDTJW-NEPJUHHUSA-N	267.394	2.737	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1ccc(OC(F)F)cc1	160283138	MWJHLPVMMJJIAN-UHFFFAOYSA-N	299.317	2.571	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1	160304438	GTMXZMJPIFSZQR-NEPJUHHUSA-N	295.404	2.625	70	20	CFID	
COc1ccc2c(c1)CCC[C@H]2N[C@@H](CCO)CSC	160361124	PTOLCWQEXOMFOW-XJKSGUPXSA-N	295.448	2.776	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1cc3ccccc3o1)CC2	160551295	RCLIFPCFYGOKSR-BXUZGUMPSA-N	296.374	2.998	70	20	CFID	
CN(Cc1cccn1C)C(=O)Cc1ccc(F)c(F)c1	160586302	SWSNPQVORHHFDR-UHFFFAOYSA-N	278.302	2.504	70	20	CFID	
COCc1nc(C)c(C(=O)NC[C@@H]2CC=CCC2)s1	160706824	UAVZYUUBDSHEBC-LLVKDONJSA-N	280.393	2.684	70	20	CFID	
COCCCCNC(=O)NCCc1c(C)cccc1C	160738797	CMMTVNBAZLOGSW-UHFFFAOYSA-N	278.396	2.572	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CCO1	160823145	WPGVAROKULLTNF-AGIUHOORSA-N	279.405	2.797	70	20	CFID	
CCOc1ccccc1CNC(=O)C[C@H](C)SC	160845277	ILBBRLQYBYNPIU-NSHDSACASA-N	267.394	2.843	70	20	CFID	
Cc1ccc2[nH]c(SCc3nnc(C)n3C)nc2c1	160947674	ZRMZBKSRTSLUQE-UHFFFAOYSA-N	273.365	2.601	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N1CCCc2ccccc21	159456574	KVKZDWDTHFHDLT-LBPRGKRZSA-N	267.394	2.815	70	20	CFID	
CCCCCOc1ccc([C@H](C)NCCO)cc1	159712572	OOXJVJQWQKESFG-ZDUSSCGKSA-N	251.370	2.899	70	20	CFID	
CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F	159534314	NITTZVMLKRPZSJ-GHMZBOCLSA-N	284.350	2.872	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCCCCC1	159684271	AQQZBLAUGPVVMK-GJZGRUSLSA-N	264.413	2.654	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc([C@@H](C)[C@@H](C)N)n1	159952540	AUIFBODDDUGMJF-DMDPSCGWSA-N	275.352	2.646	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H]1CCc2ccccc2C1	160077294	DJTHYVGSPGUDFN-RHSMWYFYSA-N	260.425	2.864	70	20	CFID	
CS[C@@H]1CCC[C@H](Nc2nccn3c(C)nnc23)C1	218055609	CYUJDRWFAVSQDE-WDEREUQCSA-N	277.397	2.519	70	20	CFID	
CCc1ccc(CC(=O)NC[C@@H](C)CN2CCCC2)cc1	161068745	ADGOPINSDBFZIF-OAHLLOKOSA-N	288.435	2.640	70	20	CFID	
C[C@H]1C[C@@H](NCC2(c3ccc(F)cc3)CC2)CCN1C	161350584	DEALMQKHRKFFKX-BBRMVZONSA-N	276.399	2.930	70	20	CFID	
COc1cc(CC(=O)N2[C@@H](C)CC[C@@H]2C)ccc1C	161447964	NKKMCPHRNDDSRZ-STQMWFEESA-N	261.365	2.946	70	20	CFID	
CS[C@H](C)CC(=O)N(C)[C@H](C)c1ccncc1	161487018	VJWZUGXGZHELKD-GHMZBOCLSA-N	252.383	2.743	70	20	CFID	
CCCCn1ncc(NC(=O)NCCn2cccc2)c1C	160182935	WCOBYHGGZKNSOA-UHFFFAOYSA-N	289.383	2.615	70	20	CFID	
CC(C)CCC1CCN(C(=O)NCCn2ccnc2)CC1	160252496	YDYFYWLUNJLKCF-UHFFFAOYSA-N	292.427	2.741	70	20	CFID	
Cc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1	160547901	WIWBNOMEQAFQGQ-IUODEOHRSA-N	270.380	2.561	70	20	CFID	
CCc1cc(O)nc(CN2CCC[C@@H]2Cc2ccccc2)n1	160654410	WAQZAGSUGANUEJ-MRXNPFEDSA-N	297.402	2.952	70	20	CFID	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)C(C)(C)C	159802834	FRONBGOBJUXJHC-OSAQELSMSA-N	292.398	2.904	70	20	CFID	
CCc1noc(C)c1CSCCOC[C@@H]1CCCO1	159815945	FUVSCCQYMNHIOV-LBPRGKRZSA-N	285.409	2.974	70	20	CFID	
c1cnc2c(CNc3nc4ccccn4n3)cccc2c1	159483796	NULTVTDEPIFSNC-UHFFFAOYSA-N	275.315	2.890	70	20	CFID	
Cc1cccc([C@@H](C)C(=O)NCCN2CCC[C@H](C)C2)c1	159903736	AMWNOSMAEZXXQP-JKSUJKDBSA-N	288.435	2.947	70	20	CFID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccs1	159789641	HDVSJZVEOMFBHJ-LBPRGKRZSA-N	296.417	2.915	70	20	CFID	
CCN(CCCO)C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	160562130	AXUFARYAMMHWML-GXTWGEPZSA-N	279.380	2.567	70	20	CFID	
COc1ccc(C(=O)N(C)Cc2ccco2)c(F)c1	218438048	YWWNSXZLDBLKRM-UHFFFAOYSA-N	263.268	2.700	70	20	CFID	
CC1CCN(CCNCc2cccc3cc[nH]c23)CC1	218107157	JDEZPEDATIMXMY-UHFFFAOYSA-N	271.408	2.989	70	20	CFID	
CCO[C@H](C)c1nccn1Cc1nccn1C(F)F	161457326	ODCUGMHBYHSZBI-SECBINFHSA-N	270.283	2.621	70	20	CFID	
COc1cc(-c2noc([C@H]3CCC(=O)C[C@@H]3C)n2)ccn1	161013182	IPCDARLLXFRHFY-CABZTGNLSA-N	287.319	2.613	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@H]2C)cc1Cl	160044572	LDWIEKQHBHZELJ-PSASIEDQSA-N	253.729	2.967	70	20	CFID	
CCc1ccc([C@H](C)CC(=O)NC[C@H]2CCCN2C)cc1	160134297	KPOKJBCSPOHBPX-RHSMWYFYSA-N	288.435	2.953	70	20	CFID	
CC(C)NCCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1	160386601	JKEMHKGMZBWCQI-OAHLLOKOSA-N	292.398	2.605	70	20	CFID	
CC(C)(CNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	160390173	UUSRRZCHMVABSF-QGZVFWFLSA-N	290.407	2.521	70	20	CFID	
O=C(Nc1nccs1)c1csc([C@H]2CCCO2)n1	160660103	ZUMLVVFHLBNTES-MRVPVSSYSA-N	281.362	2.703	70	20	CFID	
COc1ccc(N(C)C(=O)c2cccc(C)n2)cc1F	159814311	INSXYLBKKKUYKV-UHFFFAOYSA-N	274.295	2.814	70	20	CFID	
CC(C)CN(CC(N)=O)C(=O)C[C@H](C)C1CCCCC1	159661956	CNHIMRPLFRYMQG-ZDUSSCGKSA-N	282.428	2.563	70	20	CFID	
COc1ccc(C)cc1NC(=O)c1cnc2c(c1)ncn2C	159635459	UPHCNTMJLKHRDM-UHFFFAOYSA-N	296.330	2.538	70	20	CFID	
CSCCNC(=O)[C@@H](C)Cc1cccc(Cl)c1	159457916	YEUURMFJUARCIB-JTQLQIEISA-N	271.813	2.998	70	20	CFID	
CCCCOCCNC(=O)C[C@@H](C)c1ccncc1	159463570	KYZJAKZBUANVHA-CYBMUJFWSA-N	264.369	2.508	70	20	CFID	
COc1nc(C)nc(N2CC[C@H](Nc3ccccc3)C2)c1C	159374931	UZAWJXVVSXPNGB-HNNXBMFYSA-N	298.390	2.793	70	20	CFID	
COc1ccc([C@H](CCO)N[C@H](C)c2ccccn2)cc1	159391882	ZZECISNDHDJTDR-DYVFJYSZSA-N	286.375	2.865	70	20	CFID	
COc1ccc(CS(=O)(=O)Cl)c(Br)c1	258471067	CMWZDTOCEZJZGZ-UHFFFAOYSA-N	299.573	2.526	70	20	CFID	
CCOCCCN1CCO[C@H](c2ccc(F)c(F)c2)C1	160373820	YMEYZFFLULIDSI-HNNXBMFYSA-N	285.334	2.765	70	20	CFID	
CC(C)(C)OC(=O)N1CC(Cc2nc(C3CCC3)no2)C1	161060459	MWTBXUNSEGULCV-UHFFFAOYSA-N	293.367	2.747	70	20	CFID	
CSc1cc(C(=O)NCc2cc(C)no2)ccc1F	161078683	HZFLPLFNBJULQL-UHFFFAOYSA-N	280.324	2.774	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1cccc(OC)c1OC	161070279	OLSQQVZEBVEKSO-WBMJQRKESA-N	277.364	2.756	70	20	CFID	
CCN(CC)CCNC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C	161480761	UPYXRKVJOWGGCH-ILXRZTDVSA-N	281.444	2.691	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)c3cccnc3)c2C)o1	161503214	PHSFRCSTDSYUSI-UHFFFAOYSA-N	282.303	2.934	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](CC(C)C)c1ccccn1)CC2	160323865	YWJSOMDVLDJQSG-HOCLYGCPSA-N	299.422	2.673	70	20	CFID	
CCC(CC)NC(=O)Nc1ccn(CC(F)(F)F)n1	160389341	CEMVGBVQQFLBOU-UHFFFAOYSA-N	278.278	2.756	70	20	CFID	
COCC[C@@H](C)NC[C@@H](C1CCCCC1)N(C)C	160416678	GIOQXDXEBLQMIU-HIFRSBDPSA-N	256.434	2.512	70	20	CFID	
Cc1noc(Cl)c1CC(=O)Nc1nnc(C2CC2)s1	160585702	WXRAQOCKBRPKCO-UHFFFAOYSA-N	298.755	2.547	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccnc(N2CCCC2)c1	160831212	OTZCYQUDIMTLHF-PBHICJAKSA-N	287.407	2.734	70	20	CFID	
Cc1cc(C)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)[nH]1	159839267	ADLPBFBYAQGUDT-JTQLQIEISA-N	299.330	2.603	70	20	CFID	
CC(C)CC(=O)NCCC(=O)Nc1ccc2[nH]ccc2c1	159710474	DIBREWFEPJYJHS-UHFFFAOYSA-N	287.363	2.659	70	20	CFID	
CC[C@H](N)C(=O)N1CCCC[C@H]1c1ccc(C)cc1	159913190	HEQHISUMHPVZHC-GJZGRUSLSA-N	260.381	2.786	70	20	CFID	
CCOCCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159536822	RWNQZCRBISLJTO-HOCLYGCPSA-N	291.391	2.697	70	20	CFID	
Cc1ccccc1[C@H](NC(=O)N[C@@H](C)CCO)C(C)C	159769428	SIKGGPMWUSBQAI-DZGCQCFKSA-N	278.396	2.762	70	20	CFID	
CC[C@H](NC(=O)c1cccc(C)n1)c1c(C)noc1C	159962362	CCZCLBFIHYWASC-LBPRGKRZSA-N	273.336	2.876	70	20	CFID	
CCc1cnc(NC(=O)N(C)CCC2CC2)s1	159392055	IMAJWTJMBUVDRO-UHFFFAOYSA-N	253.371	2.969	70	20	CFID	
CC(C)(C)NC(=O)CCNCc1ccc(Cl)cc1F	160887483	ZMVLBHSEOWDRDO-UHFFFAOYSA-N	286.778	2.874	70	20	CFID	
Cc1ccccc1OCC(=O)N1[C@H]2C=CC[C@H]1CC2	218695927	IPOWJXAIUDQRIG-KBPBESRZSA-N	257.333	2.693	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)c1ccc(OC)cc1F	218104349	HEQWAEBPXSLKAS-UWVGGRQHSA-N	253.317	2.999	70	20	CFID	
C[C@@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460097072	YWUTXLIPHOYTCE-NXEZZACHSA-N	285.340	2.720	70	20	CFID	
Cc1cc(CNCCNC(=O)OC(C)(C)C)ccc1F	218083390	WQTMAOUHFYCRCP-UHFFFAOYSA-N	282.359	2.748	70	20	CFID	
CCOCCCC(=O)N1CCc2c(F)cccc2C1	161051179	JQPWLESSNXLHAB-UHFFFAOYSA-N	265.328	2.527	70	20	CFID	
C[C@H]1CN(C(=O)c2ccc(N)cc2)[C@@H](c2ccccc2)CO1	161087140	TVNNRTGMVXVUTB-SUMWQHHRSA-N	296.370	2.871	70	20	CFID	
Cc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cn1	161301851	YJVLTURCLCIURB-XCLFUZPHSA-N	288.416	2.978	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NCC(=O)N(C)CC(F)(F)F	161429399	ICZIXJSNDGJPFQ-MNOVXSKESA-N	280.334	2.566	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1	160172999	GUCFFJWPFQHZHP-ZFWWWQNUSA-N	298.390	2.710	70	20	CFID	
CC(C)CONC(=O)Nc1ccc(OCC(C)C)nc1	160361691	BVQPCBOCCNBWFN-UHFFFAOYSA-N	281.356	2.826	70	20	CFID	
CC1(C)C[C@@H](NCC[S@@](=O)c2ccccc2)C(C)(C)O1	160787783	JALFFFIYLOPXHO-VLIAUNLRSA-N	295.448	2.730	70	20	CFID	
CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1cnn(C)c1C	160997407	QNQXVQOUCSJZBM-UKRRQHHQSA-N	292.427	2.887	70	20	CFID	
CCCCOCC(=O)Nc1ccc2nc(N(C)C)oc2c1	159888773	PCSPQZNYRAVNGA-UHFFFAOYSA-N	291.351	2.649	70	20	CFID	
C[C@H](CCn1cccn1)Nc1ccc(N(C)C)cc1	159387080	RPWZFVVTHWZBLE-CYBMUJFWSA-N	258.369	2.840	70	20	CFID	
C[C@H](NCC1(CO)CCCC1)c1ccc2c(c1)CCO2	160093783	JGUKYVHYACRUFC-ZDUSSCGKSA-N	275.392	2.825	70	20	CFID	
Fc1cc(Cl)cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1	160965259	UZDHSVPTINQJGR-UPJWGTAASA-N	255.720	2.889	70	20	CFID	
CC[C@@H](O)CN(Cc1ccccc1)c1ccnc(C)n1	161012706	JIKVIKHABZYWDQ-OAHLLOKOSA-N	271.364	2.563	70	20	CFID	
COC(=O)CCSc1nc2cc(C)ccc2o1	217961332	YRBSZVFBHFGDSB-UHFFFAOYSA-N	251.307	2.791	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)c1cccnc1	160178576	BEUHNWTWBBCMHK-LBPRGKRZSA-N	258.346	2.951	70	20	CFID	
CCCNCCNCc1ccc(Br)cc1	161353829	QMIXLCLDMOJUJA-UHFFFAOYSA-N	271.202	2.538	70	20	CFID	
CC(C)=C(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	490536380	KJKYWSTWQCZNTI-UHFFFAOYSA-N	271.313	2.640	70	20	CFID	
Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864238007	DYRSGSMEAASZHH-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
CC[C@H](C)CN(C)C[C@@H](O)c1cc(OC)ccc1OC	216913360	MPTOBBQFBNTSSX-SWLSCSKDSA-N	281.396	2.715	70	20	CFID	
O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1CCCNC1	161071659	AEAJQJPNNBMCCA-ZDUSSCGKSA-N	290.411	2.786	70	20	CFID	
Cc1ccccc1CNC(=O)N[C@H](CCO)C(C)(C)C	161305955	ACCIDMXBBUTXFD-CQSZACIVSA-N	278.396	2.591	70	20	CFID	
Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCn2ccnc2C1	161436273	XMJHLQIIEKEGHV-CJNGLKHVSA-N	295.386	2.558	70	20	CFID	
Cc1ccc(NC(=O)[C@H](C)N)cc1OCCC(C)C	161509305	RIXGGRONWOANJS-LBPRGKRZSA-N	264.369	2.706	70	20	CFID	
CN(C(=O)c1cccc2cn[nH]c12)c1ccc2c(c1)OCO2	160144378	CVOHYAKVERUHST-UHFFFAOYSA-N	295.298	2.568	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)c1cccnc1OC	160180840	WCLJLINXRSYRKO-CQSZACIVSA-N	298.342	2.516	70	20	CFID	
CN(CC1CCNCC1)C(=O)C1C2CC3CC(C2)CC1C3	160207627	GMMAINITWUBKCC-UHFFFAOYSA-N	290.451	2.517	70	20	CFID	
CCCCS(=O)(=O)N1CC[C@@H](c2ccccc2OC)C1	160554265	XCAJCZBBYNICGT-CYBMUJFWSA-N	297.420	2.614	70	20	CFID	
CCc1ccc([C@@H](CO)NCc2nc(C)cs2)cc1	160804967	JUUSCPITGKMDKB-CQSZACIVSA-N	276.405	2.837	70	20	CFID	
Cn1cnnc1CN(CCc1ccccc1)C1CCCC1	160872086	BQWGDUZFZSEYLT-UHFFFAOYSA-N	284.407	2.802	70	20	CFID	
O=C(N[C@@H]1CC12CCCCC2)c1cnc(C(F)(F)F)nc1	159805708	RVPYVHZULWUHSG-SNVBAGLBSA-N	299.296	2.948	70	20	CFID	
CC(=O)Nc1ccc(N[C@@H](C)CCn2cccn2)cc1	159363438	QAPYEFMFLFIJPX-LBPRGKRZSA-N	272.352	2.732	70	20	CFID	
CCOCCC1(CNC(=O)c2ccccc2COC)CC1	159383386	JYWDOSFROPLOFE-UHFFFAOYSA-N	291.391	2.770	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CCCNC(=O)OC(C)(C)C	159785053	VEOQVKGKHJWMJK-QWHCGFSZSA-N	298.427	2.986	70	20	CFID	
CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1ccnc(C)c1Cl	159991103	SGWXJRYGTUQGLH-OTYXRUKQSA-N	299.802	2.962	70	20	CFID	
C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)NC(C)(C)C	159713890	FZGFBHMPXJGROS-MDZLAQPJSA-N	278.396	2.796	70	20	CFID	
CCCn1nccc1CNCCc1ccc(F)cc1	159956254	UFTJSSHTAYLVRS-UHFFFAOYSA-N	261.344	2.765	70	20	CFID	
COc1ccc2c(c1)[C@@H](NCC1(CO)CCCC1)CC2	160115318	FBKUTCKAZMNIJK-INIZCTEOSA-N	275.392	2.825	70	20	CFID	
C[C@H](CC(=O)NCCCC(C)(C)C)[C@H]1CCCNC1	160538505	JBKAQMIXBQYJAQ-KGLIPLIRSA-N	268.445	2.955	70	20	CFID	
C[C@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CC=CCC1	864243212	AKNWVOZHQCWFMT-AWEZNQCLSA-N	297.351	2.573	70	20	CFID	
C[C@@](F)(CS(=O)(=O)Cl)c1ccc(F)c(F)c1	1537958557	BZQFIHQPBKFXLA-SECBINFHSA-N	272.675	2.718	70	20	CFID	
OC[C@H]1CCCCN1CCc1ccccc1Cl	159992479	WPBIPYCIFNZBAW-CYBMUJFWSA-N	253.773	2.729	70	20	CFID	
CCN(C(=O)NCCCC(=O)OC(C)C)[C@@H](C)C(C)C	160093620	LRIYBDOHSGLKKD-ZDUSSCGKSA-N	286.416	2.794	70	20	CFID	
COc1ccc(C(F)(F)C(=O)NC[C@@H](C)SC)cc1	161379306	UDEHWFKZEIHCOH-SECBINFHSA-N	289.347	2.655	70	20	CFID	
CCCCCN(CCCOC)C(=O)Nc1cc(C)nn1C	161487260	YNISUFGBZXQCST-UHFFFAOYSA-N	296.415	2.789	70	20	CFID	
CCCCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160252346	DHRPSERQXVBGLU-CQSZACIVSA-N	278.352	2.776	70	20	CFID	
CN(C)[C@@H](CNC(=O)C(C)(C)C1CCCC1)C1CC1	160451872	DCPVSGPSHILVKU-AWEZNQCLSA-N	266.429	2.659	70	20	CFID	
CN[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1	160775799	HBKNWPURVHEELJ-QGZVFWFLSA-N	280.371	2.788	70	20	CFID	
O=C(Cc1cc(F)c(F)cc1F)OC[C@H]1CCCCO1	159446743	FYHBFXNLXKUWAP-SNVBAGLBSA-N	288.265	2.759	70	20	CFID	
C[C@H](c1ccccc1)N(C)C(=O)c1cnc2c(c1)ncn2C	159640517	UXJNWQNGMOHHSN-GFCCVEGCSA-N	294.358	2.802	70	20	CFID	
COCC[C@@H](C)NC(=O)Nc1ccnc(C)c1Cl	159467755	DIJFLKDSFISIQH-MRVPVSSYSA-N	271.748	2.590	70	20	CFID	
COC[C@@H](NC[C@@H](C)N1CCc2sccc2C1)C(C)C	159872218	KMEQBAUXIDTFGK-UKRRQHHQSA-N	296.480	2.755	70	20	CFID	
COCC1CCN(C(=O)[C@@H](C)c2cccs2)CC1	159957124	HYUPOOGYVZGDTM-NSHDSACASA-N	267.394	2.737	70	20	CFID	
O=C(NCc1cccc(F)c1)N1CCOC2(CCCC2)C1	159960389	PWNMJYBBUCIYEU-UHFFFAOYSA-N	292.354	2.680	70	20	CFID	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN)cc1	159878540	AYNKDUWENGMRDU-KCXAZCMYSA-N	272.392	2.939	70	20	CFID	
CCCC1(CNC(=O)c2[nH]nc3c2CCCC3)CC1	160814088	RKMYBYCTYCRPCH-UHFFFAOYSA-N	261.369	2.599	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3s2)C1	161137909	ZCBKOTBLRUTZDM-NWDGAFQWSA-N	274.389	2.901	70	20	CFID	
Cc1csc(CCCCN[C@@H](C)[C@H]2CCOC2)n1	160651716	RUZIJQAOQBLWFQ-STQMWFEESA-N	268.426	2.789	70	20	CFID	
CC(C)(C)OC(=O)NCCN[C@@H]1CCc2c(F)cccc21	218156996	QABXYZDJULYICW-CQSZACIVSA-N	294.370	2.927	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)S(=O)(=O)Cl	103906945	AVLLFDQORICNAI-SSDOTTSWSA-N	253.150	2.840	70	20	CFID	
CCCCCC[C@]1(C)NC(=O)N(Cc2nccs2)C1=O	161129481	QWJCFBANVCQDBA-AWEZNQCLSA-N	295.408	2.924	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)COC(C)(C)C)o1	161212963	MKKYIMNPDOXJKI-CYBMUJFWSA-N	295.379	2.905	70	20	CFID	
Cc1cc(C)n(CCCNC(=O)c2cccc(C)c2F)n1	161399203	JAZTYIAAUYWQBX-UHFFFAOYSA-N	289.354	2.768	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)C[C@H](C)SC)cc1	160023534	ZHRVXBWIMMHZKD-JTQLQIEISA-N	280.393	2.516	70	20	CFID	
C[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)C1CC1	160229570	AKYPVLJFPZQWAW-YPMHNXCESA-N	251.370	2.641	70	20	CFID	
CCc1ncsc1C(=O)NCC1(O)CCCCCC1	160405777	YAIQTNRDQOQVQW-UHFFFAOYSA-N	282.409	2.521	70	20	CFID	
C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)Cc1cccnc1	160483904	OIWMJURFOKAUKU-IIAWOOMASA-N	289.423	2.597	70	20	CFID	
CC1(C)C[C@H](NCC[S@@](=O)c2ccccc2)C(C)(C)O1	160787668	JALFFFIYLOPXHO-XOBRGWDASA-N	295.448	2.730	70	20	CFID	
Cc1cc(N[C@H](C)c2nc(Cc3ccccc3)no2)nn1C	159637965	VILDMKPBZGKNMX-GFCCVEGCSA-N	297.362	2.875	70	20	CFID	
C[C@@]1(NC(=O)Nc2ccccc2N2CCCC2)CCOC1	159670798	WQVACJDGNZYINF-MRXNPFEDSA-N	289.379	2.587	70	20	CFID	
O=C(C[C@H]1CCCN1)Nc1cc(C2CCCCCC2)[nH]n1	159480199	YMHHZOIKGOPHLN-CYBMUJFWSA-N	290.411	2.928	70	20	CFID	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CN(C)C	159482437	DTHYBSAPJMONIM-INIZCTEOSA-N	276.424	2.726	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C)nc1	159699290	PTVLCTHIEXRORF-CYBMUJFWSA-N	291.395	2.661	70	20	CFID	
C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)Cc1cccnc1	159923729	MFDHADUDJKXYMP-RBSFLKMASA-N	289.423	2.691	70	20	CFID	
C[C@@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)C1CCCCC1	159991479	ISHUIAIMYADYFU-CWRNSKLLSA-N	278.440	2.946	70	20	CFID	
C[C@H]1SCCN(C(=O)c2cccc3[nH]cnc23)[C@@H]1C	159601911	JBJNTJDQVJEYEM-NXEZZACHSA-N	275.377	2.529	70	20	CFID	
CCOC(=O)CN(C(=O)c1ccc(F)c(Cl)c1)C1CC1	159811885	DXNIHWOTVHQEHK-UHFFFAOYSA-N	299.729	2.647	70	20	CFID	
Cc1ccc2cc(CN3CC[C@@H](C)[C@@H](CN)C3)ccc2n1	218371811	FKDHNFDICAEESB-DYVFJYSZSA-N	283.419	2.960	70	20	CFID	
C[C@@H]1C[C@H](NCCO)c2cccc(Br)c21	159706738	QTXGXCJEDOVNNH-KCJUWKMLSA-N	270.170	2.579	70	20	CFID	
CC(C)(C)NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	161050478	CVDSKXZOBJUILE-HZSPNIEDSA-N	258.365	2.813	70	20	CFID	
CC[C@H](C)NC(=O)c1cccc(CN[C@H](CC)COC)c1	161136200	LIDAHZLXTGUPEB-XJKSGUPXSA-N	292.423	2.730	70	20	CFID	
COC[C@H](O)CCNC(=O)[C@@H](CC1CCCCC1)C(C)C	161197655	MGQBRXVIUSAVRH-CVEARBPZSA-N	299.455	2.743	70	20	CFID	
CC[C@H](SCCC(=O)NC(=O)NC)c1ccc(F)cc1	161344719	GMSVCEGLZLODJF-LBPRGKRZSA-N	298.383	2.856	70	20	CFID	
Cc1c(C(=O)N2CCc3c(Cl)cccc32)cnn1C	161467422	VAYSXBYXZXDHDO-UHFFFAOYSA-N	275.739	2.585	70	20	CFID	
CC[C@H]1CCCN(C(=O)CCNC(=O)C2CCCCC2)C1	160077361	SXYGJRXLEUWVMD-AWEZNQCLSA-N	294.439	2.722	70	20	CFID	
CC(C)c1cc(C(=O)NC[C@@H]2Cc3ccccc32)no1	160085983	APMQUCVRAAFDHF-LBPRGKRZSA-N	270.332	2.868	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCCCO1	160160374	FEPUHYMSLGZTEH-VXGBXAGGSA-N	265.378	2.811	70	20	CFID	
C[C@H](CO)CNC(=O)CCc1ccc(C(C)(C)C)cc1	160477324	SMNFXBFJRJTKQM-ZDUSSCGKSA-N	277.408	2.661	70	20	CFID	
CC(C)[C@@H](NC(=O)[C@H](C)N)c1ccccc1Cl	160829242	VHLDHUPSFIXELI-JOYOIKCWSA-N	254.761	2.501	70	20	CFID	
CCCC1(CNC(=O)c2ccc(-n3ccnc3)nc2)CC1	160621759	XCTOUALMCUVBQU-UHFFFAOYSA-N	284.363	2.577	70	20	CFID	
CC[C@@H](C(=O)N(C)C[C@H]1CCOC1)c1ccc(F)cc1	160794849	VVUIJBYOFHCUSA-IUODEOHRSA-N	279.355	2.814	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@H](Nc2ccccc2)C1	160865930	QMKCABOTECHINB-HOTGVXAUSA-N	288.391	2.659	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl	160967167	YXYZHLTVYMZHSY-LKFCYVNXSA-N	280.755	2.814	70	20	CFID	
Cc1cc(NC(=O)CCc2ccc(F)cc2F)c[nH]c1=O	159686362	WKUQLUFXIRWAND-UHFFFAOYSA-N	292.285	2.533	70	20	CFID	
CCc1ccc(CC(=O)NCc2nc(C)cs2)cc1	159775994	IUDJUBDBXLBPND-UHFFFAOYSA-N	274.389	2.873	70	20	CFID	
Cc1cnc(N[C@@H]2CCCc3cc(N)ccc32)nc1	159497208	QVTIURPCEGAZSK-CQSZACIVSA-N	254.337	2.857	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)C1C2CC3CC(C2)CC1C3	160751061	XVWJGDWAGSHIFR-BAPHQMLMSA-N	279.424	2.582	70	20	CFID	
O=S(=O)(Cl)C[C@H](F)c1cc(F)ccc1F	1537959130	XNYSCTZNLJLACS-QMMMGPOBSA-N	258.648	2.544	70	20	CFID	
CCN(C(=O)NCC1(CCOC)CC1)[C@H](C)C(C)C	161034124	QNPXSAXVVRABPO-CYBMUJFWSA-N	270.417	2.879	70	20	CFID	
CC(C)CCNC(=O)N1CCc2c(F)cccc2C1	161133449	RNQDGJYFNWHPST-UHFFFAOYSA-N	264.344	2.940	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)COc2ccc3ccccc3c2)C1	161188446	GEVHBDIBAQXVFD-HOTGVXAUSA-N	298.386	2.605	70	20	CFID	
CC(C)CCO[C@@H]1CCN(Cc2cnc3ccccn23)C1	161302464	VYTBUOFDCWAZTC-MRXNPFEDSA-N	287.407	2.971	70	20	CFID	
O=C(NCc1ccccn1)c1cc(F)c(Cl)cc1F	161335418	SUUIBCDDFYQIDT-UHFFFAOYSA-N	282.677	2.943	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccncc3)c2C)o1	161408834	NPKSNGNKMDBBIH-UHFFFAOYSA-N	282.303	2.934	70	20	CFID	
Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCn2ccnc2C1	161436412	XMJHLQIIEKEGHV-CZUORRHYSA-N	295.386	2.558	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cn1	160238049	XVFFDSVGEKTMBL-GFCCVEGCSA-N	294.782	2.957	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCc1ccccc1F	160442016	PMWXZIMQINYWGJ-UHFFFAOYSA-N	274.339	2.755	70	20	CFID	
O=C(Nc1c(-c2ccco2)nc2ccccn12)[C@@H]1CCCO1	160505913	ZXOVDZSALKEEQI-LBPRGKRZSA-N	297.314	2.712	70	20	CFID	
Cc1ccc(NC(=O)CCC(=O)NC2CCCC2)c(F)c1	160626917	NRUJTFHGJAPVIX-UHFFFAOYSA-N	292.354	2.912	70	20	CFID	
O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cccc(F)n1	159602728	OEBPZMGKQCTGBI-ZDUSSCGKSA-N	299.349	2.620	70	20	CFID	
CC(C)c1ccc(CCCNC(=O)[C@H]2CSCN2)cc1	159607199	IIZDZHWXXVCEJP-OAHLLOKOSA-N	292.448	2.521	70	20	CFID	
CC[C@@H](C(=O)N[C@H](C)CCOC)c1ccc(F)cc1	159609348	NHWMCNJYQVJECY-BXUZGUMPSA-N	267.344	2.861	70	20	CFID	
Cc1ccc(-c2noc([C@@H](C)N(C)C[C@@H](C)O)n2)cc1F	159475367	FWVDLNVOPFEKRR-GHMZBOCLSA-N	293.342	2.558	70	20	CFID	
CCN1CCC[C@H]1CNC(=O)CCCc1sccc1C	159906834	HHWGONFXCIPHQZ-AWEZNQCLSA-N	294.464	2.980	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)CN(C)C	159909863	PCEKZHYZDCRDEM-OLZOCXBDSA-N	294.464	2.864	70	20	CFID	
O=C(Cn1ccc2ccccc21)NCC1(C2CC2)CC1	159933902	ZLBUBALRQSESOC-UHFFFAOYSA-N	268.360	2.948	70	20	CFID	
CCCCc1ccc(NC(=O)C(=O)Nc2ccon2)cc1	159374431	LZQJMPHGKXPRGW-UHFFFAOYSA-N	287.319	2.594	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccccc1	159384429	QZKGRLWJSVLJOX-AWEZNQCLSA-N	259.349	2.908	70	20	CFID	
CCCCO[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CCOC2)C1(C)C	159774129	ASNFUZFPXDUESJ-LJISPDSOSA-N	269.429	2.985	70	20	CFID	
Cc1ccccc1[C@H](C)NCc1nnc2n1CCCC2	159712048	NCRCKJWITRBXJG-ZDUSSCGKSA-N	270.380	2.774	70	20	CFID	
COCCCCCNc1ccc(C(F)(F)F)nn1	217997491	DRCZHTWSHOLRNX-UHFFFAOYSA-N	263.263	2.724	70	20	CFID	
C[C@@H](CO[C@H]1CCC[C@@H](C)C1)CS(=O)(=O)Cl	227076664	TVBAECUVURECRR-VWYCJHECSA-N	268.806	2.786	70	20	CFID	
O=C(NCC(F)(F)F)Nc1nc2c(s1)CCCC2	160417221	QJKNEQGBYARICL-UHFFFAOYSA-N	279.287	2.706	70	20	CFID	
CCOC(=O)[C@@H](C)N[C@H](CC)c1ccc(F)cc1F	161004006	KXKBFJFSYYCVLW-NOZJJQNGSA-N	271.307	2.957	70	20	CFID	
Cc1ccc2c(CC(=O)N3CCC(C)(O)CC3)coc2c1	161244123	TWHFDVFRIRXJAU-UHFFFAOYSA-N	287.359	2.657	70	20	CFID	
Cc1ccccc1C1(C(=O)NCCCN)CCCCC1	160042133	VTKUGBKXCASKPT-UHFFFAOYSA-N	274.408	2.662	70	20	CFID	
CC[C@@H](COC)NS(=O)(=O)c1ccc([C@@H](C)CC)cc1	160320080	XFOZTPYUJQMYFV-JSGCOSHPSA-N	299.436	2.903	70	20	CFID	
CCOC(=O)CC1CCN(C(=O)NCC(CC)CC)CC1	160556370	OZLUMBYUWKGJPG-UHFFFAOYSA-N	298.427	2.797	70	20	CFID	
COCC[C@H](C)NCCCCc1nc(C)cs1	160702401	VDRTWHYOVBOBEB-NSHDSACASA-N	256.415	2.789	70	20	CFID	
COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O	160735035	DKZYRNRYCVDLRJ-GHMZBOCLSA-N	293.363	2.528	70	20	CFID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccn(C)n1	160764670	CRMKAYMCYFYFAR-JTQLQIEISA-N	277.755	2.891	70	20	CFID	
Cc1cccc2sc(NC(=O)[C@H]3OCC[C@H]3C)nc12	160765609	JVMUXZRDUBKNFE-SKDRFNHKSA-N	276.361	2.968	70	20	CFID	
Cc1cccc(C(=O)N2CCc3c(F)cccc3C2)n1	160790885	ADVIVHZSWIUOCQ-UHFFFAOYSA-N	270.307	2.728	70	20	CFID	
COc1cc(CNC(=O)c2nc3ccccc3s2)ccn1	160869258	MJIBGRPYLWIMRS-UHFFFAOYSA-N	299.355	2.630	70	20	CFID	
CC[C@H](C)OCC(=O)NC[C@H](CC)Oc1ccccc1F	160921981	XTDHMFXFFDCAIN-STQMWFEESA-N	297.370	2.914	70	20	CFID	
CC[C@@H](C)[C@@H](C)NCc1ccccc1CS(C)(=O)=O	160929047	KKKZPGDBPQWLEA-CHWSQXEVSA-N	283.437	2.755	70	20	CFID	
CCCCNC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	160965969	NYCOWUJFYBKXOF-HNNXBMFYSA-N	292.423	2.888	70	20	CFID	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1(C)CC1	159826328	GZMLJKDTNCGWEO-UHFFFAOYSA-N	297.402	2.965	70	20	CFID	
CC(C)[C@@H](C)N(C(=O)NCCc1cscn1)C1CC1	159454363	IFZFANLIVGMIDF-LLVKDONJSA-N	281.425	2.904	70	20	CFID	
CSCCN(C)C(=O)c1cn(C)nc1-c1cccs1	159482849	XBACMFWNWFTIRJ-UHFFFAOYSA-N	295.433	2.584	70	20	CFID	
CCCOc1ccc2c(c1)CCN(C(=O)NCCCF)C2	159520264	BUNSBLBJPQRGPR-UHFFFAOYSA-N	294.370	2.903	70	20	CFID	
CO[C@@H]1CCCN(C(=O)Nc2ccnc(C)c2Cl)C1	159776441	JINDTZFVMLMYCW-SNVBAGLBSA-N	283.759	2.686	70	20	CFID	
CCc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1	159595817	XXPZYUMOZCROQU-KKUMJFAQSA-N	261.365	2.889	70	20	CFID	
CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160263887	BMNAFFIENSWMKI-ZJUUUORDSA-N	268.332	2.549	70	20	CFID	
Cc1ccc(CCNC(=O)NCCc2ccc(O)cc2)cc1	217307733	FAGGHDWIWLRFIV-UHFFFAOYSA-N	298.386	2.785	70	20	CFID	
CCc1ncnc(N[C@H]2CC[C@H](SC)C2)c1F	218045759	UXHUUIPNSMIGMJ-IUCAKERBSA-N	255.362	2.874	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cc(OC)ccc1OC	217383055	GHBBJNHXSKGGBY-ZDUSSCGKSA-N	280.412	2.524	70	20	CFID	
CCCCOCC(=O)N1CCC[C@@H]1c1ccc(COC)o1	161304696	PGNHZRXMFJXZMS-CQSZACIVSA-N	295.379	2.906	70	20	CFID	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1N	161417723	JZSXRUXOLWWOGM-BVUBDWEXSA-N	272.392	2.518	70	20	CFID	
CSCCCNC(=O)Nc1ccn(CCC(C)C)n1	160004826	DWMADFKSYYBNRI-UHFFFAOYSA-N	284.429	2.804	70	20	CFID	
Cc1cccc([C@@H]2CCCN2Cc2nnc(C3CC3)o2)n1	160147993	BICXMDYZJSGNBP-AWEZNQCLSA-N	284.363	2.988	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccccc3C)[nH]2)o1	160289997	KSMPIQZAWGPQSI-UHFFFAOYSA-N	282.303	2.934	70	20	CFID	
COc1ccc(CCCNC(=O)[C@@H]2CC2(C)C)cc1	160313903	FDDHWHVAMOPGFA-AWEZNQCLSA-N	261.365	2.790	70	20	CFID	
CCc1nc(CN[C@H](C)c2cccc(N3CCCC3)c2)n[nH]1	160511657	LCVLSBJRLMEEJB-CYBMUJFWSA-N	299.422	2.818	70	20	CFID	
CCc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)s1	160559477	XGBVGMAGNYDWBC-CMPLNLGQSA-N	290.436	2.876	70	20	CFID	
Cc1csc(CCCCN[C@H](C)[C@H]2CCOC2)n1	160651857	RUZIJQAOQBLWFQ-OLZOCXBDSA-N	268.426	2.789	70	20	CFID	
COC[C@@H](C)NC(=O)c1ccccc1NCc1ccco1	160952909	PZVJJBULEVPXBD-GFCCVEGCSA-N	288.347	2.656	70	20	CFID	
Cc1cnc([C@H](C)NC(=O)NC2C[C@@H](C)O[C@H](C)C2)s1	159678435	ZYEXXPKUCASZPL-KKZNHRDASA-N	297.424	2.768	70	20	CFID	
CC[C@H]1COCCN1C(=O)Nc1ccn(CCC(C)C)n1	159989505	ZDZDONJFBPETAI-ZDUSSCGKSA-N	294.399	2.572	70	20	CFID	
CC(C)(C)CS(=O)(=O)N[C@H]1CCCc2cc(N)ccc21	159456761	JXJRQHPEZNQMAT-AWEZNQCLSA-N	296.436	2.612	70	20	CFID	
CCCC1(CNC(=O)C(CC)(CC)CN)CCC1	161259433	JOZNFOWNLDVXPE-UHFFFAOYSA-N	254.418	2.838	70	20	CFID	
CON(C)C(=O)CCc1ccc(Cl)c(Cl)c1	218274533	LHWJQHGWZVKNQD-UHFFFAOYSA-N	262.136	2.946	70	20	CFID	
Cn1c(NC[C@@H]2CSCCS2)nc2ccccc21	161089243	FTFVFDXUSIHPFK-SNVBAGLBSA-N	279.434	2.834	70	20	CFID	
COCc1cccc(N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1	217985013	JNSDSQBYPIUHND-WOSRLPQWSA-N	262.397	2.974	70	20	CFID	
CCc1ccccc1C(=O)NC[C@@H](C)N(CC)CC	161442711	VCQIGULKILVSFG-CYBMUJFWSA-N	262.397	2.709	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC	161030153	YHJXVNPLXXLGBU-CJNGLKHVSA-N	277.364	2.756	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)N[C@@H](C)C2CCC2)cc1	161212511	QAMJSSPEBWTVGY-NSHDSACASA-N	289.379	2.746	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(C)nn1C	161224473	XFMVLGGSXXVAGI-QWHCGFSZSA-N	263.385	2.769	70	20	CFID	
CC1(NC(=O)NCCOC2CCCCCC2)CCC1	161358959	XKCMRKBPZFHDKG-UHFFFAOYSA-N	268.401	2.968	70	20	CFID	
Cc1cc(C(=O)NCC2(c3ccccc3)CCC2)ncn1	161370417	GSOYRCBOGPXHIH-UHFFFAOYSA-N	281.359	2.637	70	20	CFID	
Cc1ncc(/C=C/C(=O)N2[C@@H](C)CC[C@H]2C)s1	161501895	PLAPGMIQNDHSED-VDLHMYNSSA-N	250.367	2.864	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3C)[nH]2)o1	160271371	GAWNSUWSSBVAIR-UHFFFAOYSA-N	296.330	2.863	70	20	CFID	
O=C(Nc1cccc2[nH]cnc12)[C@H]1OCCc2ccccc21	160437468	ZZLQKXGQMKWZKX-INIZCTEOSA-N	293.326	2.815	70	20	CFID	
Cc1cc(C(=O)N(C)c2ccc3c(c2)OCO3)oc1C	160488808	SMIKDSXCWNMUDO-UHFFFAOYSA-N	273.288	2.902	70	20	CFID	
Cc1nc(O)ccc1C(=O)NCCc1ccccc1Cl	160840385	RFKUTPLCNHCMGF-UHFFFAOYSA-N	290.750	2.722	70	20	CFID	
CCNC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1	160972919	SKIUBYKSCBSKDR-UHFFFAOYSA-N	284.363	2.966	70	20	CFID	
FC(F)(F)c1nnc(N[C@H]2CCNC3(CCC3)C2)s1	160357564	DYTBIGMJUKVXPM-ZETCQYMHSA-N	292.330	2.644	70	20	CFID	
CCO[C@H](CC)C(=O)NCCc1cc2ccccc2[nH]1	161100074	RUSQQECNZNVBHP-OAHLLOKOSA-N	274.364	2.642	70	20	CFID	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]2CCCNC2)C1	161292944	MXVQTTPSDPQOQW-XHSDSOJGSA-N	286.419	2.699	70	20	CFID	
COCC(C)(C)C(=O)NCC1(c2ccccc2)CCC1	161309810	LBHJLLJIWDUOIS-UHFFFAOYSA-N	275.392	2.897	70	20	CFID	
Cc1cc(C(=O)NCCCO[C@@H](C)c2ccccc2)ncn1	161309942	GHIGKMYMWHNNRR-AWEZNQCLSA-N	299.374	2.683	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(Cl)ccc1F	160065702	ATWXDQBVFQTBER-QMMMGPOBSA-N	287.718	2.551	70	20	CFID	
Cc1cc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ncn1	160213289	SOHWQGSYFWODSL-BBRMVZONSA-N	282.391	2.717	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160570894	NRFXPZHDZBEDKP-WVWOOGAGSA-N	266.385	2.526	70	20	CFID	
COc1cc(OC)c([C@@H](C)NCC(C)(C)O)cc1Cl	160642686	NOKIFWDSZIBCGF-SECBINFHSA-N	287.787	2.779	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1	160690098	MTBLARCIGCLLDS-HOTGVXAUSA-N	286.350	2.926	70	20	CFID	
CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1	160700395	FYCDSGMEWXESFY-GDBMZVCRSA-N	293.455	2.692	70	20	CFID	
O=C(Nc1cccc(F)n1)c1csc([C@@H]2CCCO2)n1	160707787	JXOJMWQSEHDSJL-VIFPVBQESA-N	293.323	2.781	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(F)cc1F	159626285	GTDOVYMQWCLAHA-ZUZCIYMTSA-N	298.333	2.582	70	20	CFID	
C[C@@H](NCCCN1CCCC1=O)C(C)(C)c1ccccc1	159474874	RUYQBEPMKOXJIO-OAHLLOKOSA-N	288.435	2.955	70	20	CFID	
CCSCC[C@@H](C)NC[C@@H](O)COc1ccccc1C	160147253	UJJJNQLFGREYHH-HUUCEWRRSA-N	297.464	2.856	70	20	CFID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N1CCCCC1	160585424	VDJUWNDEOKWSBA-KGLIPLIRSA-N	254.418	2.755	70	20	CFID	
C[C@@H](CO)SCCOc1ccc(Br)cc1	160746898	OVBOEEITYYONRW-VIFPVBQESA-N	291.210	2.942	70	20	CFID	
COc1ccccc1CCN[C@@H](C)C(=O)OC(C)(C)C	217766322	SFOSMONHXAAZES-LBPRGKRZSA-N	279.380	2.558	70	20	CFID	
Cc1cnc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cn1	161369101	HRQWNSFFYUYLHW-UHFFFAOYSA-N	297.318	2.637	70	20	CFID	
Cc1nn(C)cc1C(=O)N[C@H]1CCCc2sccc21	160035557	IOQDEKSTUBFFBQ-LBPRGKRZSA-N	275.377	2.597	70	20	CFID	
C[C@@H](Cc1ccccc1Br)NC(=O)NC1CC1	160170452	CNJBYXUGRBEKBO-VIFPVBQESA-N	297.196	2.842	70	20	CFID	
Cn1ccc(NC(=O)C2(Cc3ccccc3)CCC2)n1	160177740	ZMQQPDYAOJVPDZ-UHFFFAOYSA-N	269.348	2.772	70	20	CFID	
CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1	160333628	CRBKIAJGSUKAKZ-JKSUJKDBSA-N	284.407	2.951	70	20	CFID	
COc1ccc([C@H](NC(=O)[C@@H]2CCCCO2)C2CC2)cc1	160352923	KALPFOZJCWVXDH-JKSUJKDBSA-N	289.375	2.832	70	20	CFID	
C1C[C@H](Nc2nc(C3CC3)ns2)C[C@H](C2CC2)O1	160387690	ZZCUSLXFWYRBAC-WDEREUQCSA-N	265.382	2.785	70	20	CFID	
Cc1nc(Cl)cc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160400271	OVYGYMJIFQFUNP-QWRGUYRKSA-N	267.760	2.808	70	20	CFID	
COCC[C@H](C)NC[C@@H](C1CCCCC1)N(C)C	160416564	GIOQXDXEBLQMIU-ZFWWWQNUSA-N	256.434	2.512	70	20	CFID	
CC[C@H](C(=O)N[C@H](C)[C@@H]1CCOC1)c1ccc(F)cc1	160480457	ZSACHGJEUSTQCQ-KYOSRNDESA-N	279.355	2.861	70	20	CFID	
CC1(C)C[C@@H](NCc2cccc3c2OCCCO3)CCO1	160540638	FRJBPQQLNYXUSG-AWEZNQCLSA-N	291.391	2.895	70	20	CFID	
CCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCCC1	160641278	TWESKKCYLQXWFF-OAHLLOKOSA-N	293.455	2.835	70	20	CFID	
Cc1cccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)n1	160747806	BVKDBWVCPQQQGM-UHFFFAOYSA-N	297.358	2.781	70	20	CFID	
O=C(NC[C@H]1CCCc2ccccc21)[C@H]1CCCCO1	160869102	LYMIEAZGZFAEFI-GDBMZVCRSA-N	273.376	2.792	70	20	CFID	
CC(C)CONC(=O)Nc1cnn(-c2ccccc2F)c1	160919233	ATYMHGPAKDBHQB-UHFFFAOYSA-N	292.314	2.721	70	20	CFID	
CCC[C@@H](C(=O)N1CCN(c2ccccn2)CC1)C(C)C	160941538	LDXQTWPXJGJNLP-OAHLLOKOSA-N	289.423	2.803	70	20	CFID	
C/C=C(\C=C\C(=O)N[C@@H](C)c1nnc2ccccn12)CC	159808114	XFFJOFHXGQZYKH-JHTLQGGASA-N	284.363	2.819	70	20	CFID	
Cc1ccccc1[C@H](CC(C)C)NC(=O)CCCN	159695606	QITBJMRDIHXLPF-HNNXBMFYSA-N	262.397	2.937	70	20	CFID	
Cc1nccc(NC(=O)N[C@@H](CCO)C(C)(C)C)c1Cl	159502973	GLCIVMVVPRIAFO-NSHDSACASA-N	299.802	2.962	70	20	CFID	
Cc1cc(NC(=O)c2oc3ccccc3c2C)c[nH]c1=O	159513837	NRMAHCJTOSDQHZ-UHFFFAOYSA-N	282.299	2.990	70	20	CFID	
CCOc1ccc(NC(=O)CO[C@H](C)CC)cc1F	159936704	FWSPISXOQJYEOF-SNVBAGLBSA-N	269.316	2.978	70	20	CFID	
CC(C)(C)CCC(=O)N1CCC[C@@H](N2CCCC2)C1	159394193	SRIBHVFBKUMETP-CQSZACIVSA-N	266.429	2.900	70	20	CFID	
Cc1occc1C(=O)N[C@H]1CCCc2cc(N)ccc21	159367752	JRPCBDDEYXSYDR-HNNXBMFYSA-N	270.332	2.978	70	20	CFID	
CN(Cc1cc(-c2ccccc2)on1)[C@@H](CN)C1CC1	159991326	LLJSNATWJGWTNK-HNNXBMFYSA-N	271.364	2.511	70	20	CFID	
CC(C)[C@@H](CO)NCc1ccc(Cl)c2cccnc12	160335400	LEIOFJIKXNKIQW-CQSZACIVSA-N	278.783	2.995	70	20	CFID	
C[C@@H]1CCc2c(C(=O)NC(C)(C)CCO)csc2C1	161498184	WJAKORJWLUGUAJ-SNVBAGLBSA-N	281.421	2.764	70	20	CFID	
C[C@H](CO[C@@H]1CCCC[C@H]1C)CS(=O)(=O)Cl	112159555	XAVLNPXBRKQVDY-GMTAPVOTSA-N	268.806	2.786	70	20	CFID	
CCC(CC)CNC(=O)N(CCN(C)C)CC(C)C	160571838	KBHPVZQMILMJIS-UHFFFAOYSA-N	271.449	2.652	70	20	CFID	
CC[C@@H](C)N(C)CCNc1ncnc2sccc12	217367434	QGXFNIYPCJCZQW-SNVBAGLBSA-N	264.398	2.834	70	20	CFID	
O=C(NCC1=CCCCC1)c1cccc(S(=O)(=O)F)c1	1338818928	XGAFDPRHPOBHLM-UHFFFAOYSA-N	297.351	2.575	70	20	CFID	
C[C@@H](N(C)C(=O)c1cccc(S(=O)(=O)F)c1)C1(C)CC1	1336948820	BATNNSGFGYAMFP-SNVBAGLBSA-N	299.367	2.605	70	20	CFID	
CC(C)(C)OC(=O)NCCN[C@H]1CCc2c(F)cccc21	218157044	QABXYZDJULYICW-AWEZNQCLSA-N	294.370	2.927	70	20	CFID	
O=S(=O)(F)c1ccc2nc(Cl)sc2c1	584880974	LASSMQJIQKSXBP-UHFFFAOYSA-N	251.691	2.608	70	20	CFID	
O=C([C@H]1COc2ccccc21)N1CCc2c(F)cccc2C1	161120605	RTKNSOHZTIHDEJ-HNNXBMFYSA-N	297.329	2.887	70	20	CFID	
CCOCCC1(CNC(=O)CC(F)(F)F)CCC1	161161318	RJURSCFNTNTMJX-UHFFFAOYSA-N	267.291	2.652	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@@H](C)c1ccco1	160199079	GLPCPLKHSKNVJX-LBPRGKRZSA-N	296.367	2.714	70	20	CFID	
CCC(CC)CS(=O)(=O)NCC1(C2CC2)CC1	160207603	YZCAQMFBFDQAMO-UHFFFAOYSA-N	259.415	2.532	70	20	CFID	
CNC(=O)c1ccc(NC(=O)c2occc2C)c(Cl)c1	160240335	RWNOLVHWTLSCOX-UHFFFAOYSA-N	292.722	2.853	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160571182	NRFXPZHDZBEDKP-OXHZDVMGSA-N	266.385	2.526	70	20	CFID	
COCCC1(CNC(=O)N[C@@H](C)CC(C)C)CC1	160757146	LKGHFNNFTAEFAY-LBPRGKRZSA-N	256.390	2.537	70	20	CFID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCc2ccccc21	160983739	SCCUSNAMDZZWMG-HOCLYGCPSA-N	286.375	2.716	70	20	CFID	
CC[C@H](C(=O)N[C@H](C)CCOC)c1ccc(F)cc1	159609210	NHWMCNJYQVJECY-RISCZKNCSA-N	267.344	2.861	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N[C@@H]1CCCc2occc21	159640970	HFNZZQQHSOJBSH-LLVKDONJSA-N	294.738	2.966	70	20	CFID	
CC[C@@H](C)OCC(=O)N1CCCN(c2ccccc2)CC1	159898982	UPLJDHKPJXMDDA-OAHLLOKOSA-N	290.407	2.540	70	20	CFID	
Cc1noc(C)c1CCC(=O)NCC1(C2CC2)CC1	159968589	QKNROULABNCMQM-UHFFFAOYSA-N	262.353	2.530	70	20	CFID	
Cc1nc(O)ccc1C(=O)N(C)CCCc1ccccc1	159987102	LDISJPXBGGCVRR-UHFFFAOYSA-N	284.359	2.800	70	20	CFID	
CCO[C@H]1C[C@@H](NCC2(CO)CCCC2)C12CCCC2	160087602	RZGHHZOPMYZTFU-CABCVRRESA-N	281.440	2.867	70	20	CFID	
CC(C)(C)OC(=O)NC1CCN(c2ccc(F)cn2)CC1	216729833	JFCSLPNPZJIQCE-UHFFFAOYSA-N	295.358	2.714	70	20	CFID	
O=S(=O)(Cl)C[C@H](F)c1ccccc1Cl	257875167	DZPFLMQWDMLWJD-QMMMGPOBSA-N	257.113	2.919	70	20	CFID	
Cc1ccc(OC2CCN(C(=O)CCl)CC2)cc1	142957507	HBVOEWTUOQMNNS-UHFFFAOYSA-N	267.756	2.604	70	20	CFID	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CCC1	460092580	MUQCTAAPCXBUAS-SECBINFHSA-N	285.340	2.720	70	20	CFID	
CC(C)=CC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675210	GLJALGDBUABYMU-UHFFFAOYSA-N	271.313	2.558	70	20	CFID	
CCN(CCN[C@H]1CCCc2cccnc21)C1CC1	217482868	BCHYFTQEEKOWSW-HNNXBMFYSA-N	259.397	2.533	70	20	CFID	
C[C@H](CNCc1ccc2[nH]ccc2c1)N(C)C1CC1	217548580	QTGYRQQAWYVYHD-GFCCVEGCSA-N	257.381	2.740	70	20	CFID	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCCNC2)C1	161047517	TZOXYRDHWCTASB-XPKDYRNWSA-N	290.382	2.735	70	20	CFID	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@@H]1CCCN1	161385661	XRBMSHORXHVCBE-DLBZAZTESA-N	288.435	2.917	70	20	CFID	
CCC[C@H]1CCCN(C(=O)NCCN(CC)CC)C1	161482909	SPIXBWWLBATFQW-AWEZNQCLSA-N	269.433	2.550	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)c1cccc(-c2ncn[nH]2)c1	160002844	KDRAOBJPEODBCS-LLVKDONJSA-N	272.352	2.636	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2	160028739	XOCLJNJROYXWTC-LRDDRELGSA-N	275.348	2.810	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccn(C)n1	160073433	CXJJZPRQFGHVOC-ZJUUUORDSA-N	261.350	2.532	70	20	CFID	
COc1cc(-c2ccccc2)sc1C(=O)NCCCN	160102349	CTPZCVVAMRXBHP-UHFFFAOYSA-N	290.388	2.502	70	20	CFID	
C[C@@H]1CN(C(=O)NCc2ccc(O)cc2)CC[C@H]1C	160129287	AIHDRVLMPDAAQT-VXGBXAGGSA-N	262.353	2.580	70	20	CFID	
CC1(C)CCCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160268984	IIVQJRWNWMERLU-OLZOCXBDSA-N	266.385	2.528	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1sccc1SC	160353511	CUNRMKAHBFWIMU-MRVPVSSYSA-N	287.406	2.542	70	20	CFID	
CCCOc1cccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	160618463	BWBFAORVECRIQL-XBXGTLAGSA-N	292.379	2.900	70	20	CFID	
COC(=O)C1(NC(=O)C[C@H]2CCCC(C)(C)C2)CCC1	160993054	IMVHGNGBLMYLEZ-GFCCVEGCSA-N	281.396	2.805	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCCOC1	159842856	MXGNRRAKSNBQSR-CMPLNLGQSA-N	265.378	2.668	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1F	159862718	ACBRHKBREJQTRY-NWDGAFQWSA-N	263.312	2.843	70	20	CFID	
CCC[C@H](C)NC(=O)[C@H](C)Sc1ccncc1	159904849	GZSGJYIQLZQINA-QWRGUYRKSA-N	252.383	2.867	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CCOC(C)C	159957561	NLVNTYBYFLCYKX-AWEZNQCLSA-N	277.364	2.614	70	20	CFID	
Cn1c(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccc21	159571319	UETVFZYZLOFARS-ZLIFDBKOSA-N	297.402	2.621	70	20	CFID	
CN(CC1CCOCC1)C(=O)Nc1cccc(F)c1F	159984346	VOLIAQQNBIYUPI-UHFFFAOYSA-N	284.306	2.855	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)C(C)C	159596649	QJDQYFWSHDUCDD-KBPBESRZSA-N	269.433	2.547	70	20	CFID	
Cc1nn(C)cc1CNC1(c2ccccc2)CCC1	161406635	XFSZATHRXITXSV-UHFFFAOYSA-N	255.365	2.898	70	20	CFID	
COCCOCCCNc1nc(C(F)(F)F)cs1	159967980	DCYSFCRSCYICIA-UHFFFAOYSA-N	284.303	2.627	70	20	CFID	
C/C=C(\CC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674007	ATNGXJFKXDEIRL-FPYGCLRLSA-N	289.303	2.779	70	20	CFID	
C[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864238057	BMSDCPQBSQQFKA-JQWIXIFHSA-N	299.367	2.653	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N(C)Cc2ccccn2)on1	161115078	DNWBBDYTPMWOTC-NSHDSACASA-N	273.336	2.855	70	20	CFID	
CCCn1c(C)nnc1CN(C)[C@H]1C[C@@](C)(OC)C1(C)C	160108768	VVNQLPFVFPMWJP-XJKSGUPXSA-N	294.443	2.632	70	20	CFID	
CSc1ccc(NC(=O)[C@@H]2CCCCO2)cc1	160256047	ZEMDFDPYJCUSSL-LBPRGKRZSA-N	251.351	2.916	70	20	CFID	
CC[C@H](C)CS(=O)(=O)Oc1cccc(F)c1F	160465655	GRMBFIIIXSCDGJ-QMMMGPOBSA-N	264.293	2.720	70	20	CFID	
C[C@@H](C1CC1)N(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CC1	160451820	GJYGZRAPPKUMLY-PEYYIBSZSA-N	292.423	2.917	70	20	CFID	
CS[C@H](C)CNC(=O)Nc1ccc(C)c(NC(C)=O)c1	160468365	CRDMMWGUOIUFTH-SNVBAGLBSA-N	295.408	2.826	70	20	CFID	
Cc1noc(C)c1[C@H](C)NC(=O)N(C)Cc1cccn1C	160545144	WGEFJGZJVILTIL-JTQLQIEISA-N	290.367	2.533	70	20	CFID	
CC[C@@](C)(NC(=O)NCC(C)C)c1nccs1	160794519	MLDZBIKQRLIIHW-GFCCVEGCSA-N	255.387	2.724	70	20	CFID	
COC[C@@H](NC[C@@H](C)N1CCc2ccccc2C1)C(C)C	159826785	HNEVJNZEQUGBEJ-CRAIPNDOSA-N	290.451	2.694	70	20	CFID	
c1ccn2c(CN3CCC[C@@H]3CN3CCCCC3)cnc2c1	159667930	NTROIUBAMMZITE-MRXNPFEDSA-N	298.434	2.785	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@H](C)[C@H]2CCOC2)c1	159881448	KMVIRKGRHDDRFQ-HIFRSBDPSA-N	290.407	2.940	70	20	CFID	
Cc1cc(=O)oc2cc(OC(=O)[C@H]3CCCCO3)ccc12	159517237	ROFQFJBTKFJBOT-CYBMUJFWSA-N	288.299	2.576	70	20	CFID	
CCc1[nH]nc(NC(=O)c2ccc(F)c(OC)c2)c1C	159738361	SCQYQYLJRXNYNR-UHFFFAOYSA-N	277.299	2.681	70	20	CFID	
Cc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2)nn1C	159580222	WGAPFWVWSAFBJJ-SNVBAGLBSA-N	292.770	2.821	70	20	CFID	
CCCc1csc(CC(=O)NCc2ccccc2)n1	160640741	SYBRAECGDKBULM-UHFFFAOYSA-N	274.389	2.955	70	20	CFID	
Cc1c(C(=O)N[C@@H]2CCC[C@@H]2CO)oc2c(F)cccc12	217950560	XONBMYABRGQIOO-ZWNOBZJWSA-N	291.322	2.771	70	20	CFID	
CCn1nccc1CN(C)Cc1ccc(OC)cc1	159860415	RSPKKUOVQNGDQA-UHFFFAOYSA-N	259.353	2.544	70	20	CFID	
C[C@@H]1C[C@@H](Nc2cnccn2)CN1Cc1ccccc1	160930711	MSQYLGMPNVDXRE-UKRRQHHQSA-N	268.364	2.552	70	20	CFID	
CCOc1cc(CNCCN(C)[C@H](C)CC)ccc1O	217880293	PQYWFASAZHGIST-CYBMUJFWSA-N	280.412	2.611	70	20	CFID	
CO[C@H](C)c1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1	161170455	XFHJOAQDTYYEQO-OCCSQVGLSA-N	299.374	2.792	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1nc(C)no1	161229097	LFTDUZJALLDTNL-STQMWFEESA-N	279.384	2.738	70	20	CFID	
CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1CNC	161238696	ADIOPAGAZJGAAN-UONOGXRCSA-N	254.418	2.803	70	20	CFID	
COCCCC(=O)N1CCC[C@H]1c1ccc(COC)o1	161294769	MSQCABOIHNFQAX-ZDUSSCGKSA-N	281.352	2.516	70	20	CFID	
Cc1noc(C)c1CCN1CCN(C)C[C@@H]1c1ccccc1	161340666	BKENLGMKWOESLQ-GOSISDBHSA-N	299.418	2.823	70	20	CFID	
CCC(CC)n1nccc1C(=O)NC[C@H](C)N(CC)CC	161443402	RGESVAOCFMDVEU-ZDUSSCGKSA-N	294.443	2.704	70	20	CFID	
CC(C)c1ccc(N(C)C(=O)CNC[C@H]2CCCO2)cc1	161458564	FAJSHTBRDXBNID-MRXNPFEDSA-N	290.407	2.541	70	20	CFID	
CCC[C@H](CC)NC(=O)c1cnn(C2CCOCC2)c1C	161488432	LDPBTBCMDGBSIZ-ZDUSSCGKSA-N	293.411	2.852	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCOC[C@H]2CC)c1C	160095352	ZYNNRBMBKMINQO-CYBMUJFWSA-N	294.399	2.634	70	20	CFID	
O=S(=O)(NCC1(C2CC2)CC1)c1cccc(Cl)c1	160213896	HZFVDYFVVQEWEG-UHFFFAOYSA-N	285.796	2.809	70	20	CFID	
CC(C)[C@@H](C)NCc1ccccc1CN1CCOCC1	160440954	YWVPWLISUCRKSA-OAHLLOKOSA-N	276.424	2.653	70	20	CFID	
CCOCC[S@](=O)c1ncc(C(C)(C)C)s1	160483241	KIUAEDOTGZWRRT-MRXNPFEDSA-N	261.412	2.585	70	20	CFID	
COc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1F	160569537	QIBZWZGZHZNYBT-ZYHUDNBSSA-N	296.342	2.602	70	20	CFID	
CCCCOCC(=O)Nc1cccc(OCCF)c1	160583008	YEHAGVAYFSCCPW-UHFFFAOYSA-N	269.316	2.790	70	20	CFID	
Cc1cc(F)cc(NC(=O)CN(C)[C@H]2CCSC2)c1	160661451	ZJHCFMUKXSWORA-ZDUSSCGKSA-N	282.384	2.510	70	20	CFID	
CC(C)CONC(=O)NCCOc1ccccc1Cl	160950237	HTWZCISKXVRWCY-UHFFFAOYSA-N	286.759	2.606	70	20	CFID	
CCO[C@H](CC)C(=O)NC1CCC(OC(C)C)CC1	159423442	HSFLUSRYYXQNQL-JXQTWKCFSA-N	271.401	2.654	70	20	CFID	
Cc1cc(C(=O)NCC2(C3CC3)CC2)c2c(C)noc2n1	159844850	INVXWOUARAKSRU-UHFFFAOYSA-N	285.347	2.760	70	20	CFID	
CCO[C@H](C(=O)NCC1(N)CCCCC1)c1ccccc1	159472920	HYFIKXWCXMIAJM-HNNXBMFYSA-N	290.407	2.542	70	20	CFID	
Cn1ccnc1C(=O)c1ccc(NC(=O)C2=CCCC2)cc1	159533468	JKXOETCQHQVQQM-UHFFFAOYSA-N	295.342	2.700	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)N(C)C	159534760	JXWUQVZIRMOCHX-VXGBXAGGSA-N	280.437	2.616	70	20	CFID	
COc1ccc2c(c1)C[C@H](NCc1ccoc1)CC2	159553468	IDUBTNLLGUGBAI-OAHLLOKOSA-N	257.333	2.935	70	20	CFID	
CCc1cc(O)nc(CN(Cc2ccccc2)C2CC2)n1	160659604	XXDGAIUJYYGFAJ-UHFFFAOYSA-N	283.375	2.909	70	20	CFID	
CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCOC1	161344297	QPYSLWNVRQEYOC-SNVBAGLBSA-N	285.796	2.971	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1c[nH]nc1-c1ccc(C)o1	217395316	NMHGNQTUIJFEBA-GFCCVEGCSA-N	290.411	2.798	70	20	CFID	
C[C@H](CC(N)=O)NCC(c1ccccc1)c1ccccc1	218579898	PEKJXDFLFOFXSN-CQSZACIVSA-N	282.387	2.672	70	20	CFID	
COc1cc(N[C@H]2CCN(C)[C@H](C)C2)ccc1F	160038823	LOSCXLQPYVFLMR-PWSUYJOCSA-N	252.333	2.729	70	20	CFID	
CC(C)COC[C@H](CS(=O)(=O)Cl)C(C)(C)C	114478233	ZFZLHUAPDOENJZ-SNVBAGLBSA-N	270.822	2.890	70	20	CFID	
CC(C)CSCCCNC(=O)CCc1ccncc1	160806524	ZDXNIQFIIJTHAB-UHFFFAOYSA-N	280.437	2.910	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccc(C)cc1	161305654	JXGRJSGMOBKKCS-KGLIPLIRSA-N	292.448	2.686	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CCOC3(CCC3)C2)o1	161456240	OVXPEMYARJRMHE-VOTSOKGWSA-N	275.348	2.637	70	20	CFID	
O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1CCCCO1	160328917	QPRZPHOHUIHFHK-AWEZNQCLSA-N	283.331	2.651	70	20	CFID	
CCc1ccc(C(C)(C)NCc2n[nH]c(CC)n2)cc1	160476949	DNBLBIAYQUACJH-UHFFFAOYSA-N	272.396	2.954	70	20	CFID	
Cc1ccc(CCNC(=O)CCc2cnn(C)c2C)c(C)c1	160491206	AWBLDLFNSZBLBR-UHFFFAOYSA-N	299.418	2.637	70	20	CFID	
CCCC1(CNC(=O)c2ccc3nccnc3c2)CC1	160731652	TYEFLZGSEDLUCW-UHFFFAOYSA-N	269.348	2.940	70	20	CFID	
CCCn1c(C)nnc1CN1CC[C@@H](OCCC(C)C)C1	160902071	LGCIVWKBGSSFJP-OAHLLOKOSA-N	294.443	2.634	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(C)cc1OCCOC	159565112	LXBUMTVSKOKTHJ-CYBMUJFWSA-N	295.379	2.774	70	20	CFID	
CCN(CCCO)C(=O)CSc1cc(C)ccc1C	160453432	BPMWQEXPPSCEJR-UHFFFAOYSA-N	281.421	2.626	70	20	CFID	
C[C@H](NCc1cc(F)cc(Cl)c1)c1nnc2n1CCC2	160886631	OHPHEFBTOFSFHF-VIFPVBQESA-N	294.761	2.868	70	20	CFID	
CCNc1ccc(Cl)cc1C(=O)N1CCC(C)(O)CC1	160912439	CXRSZWDKQVKSHE-UHFFFAOYSA-N	296.798	2.759	70	20	CFID	
CC(=O)NCCNC(=O)Nc1ccc(-c2ccccc2)cc1	217269189	WOLCWAHWJCFGQX-UHFFFAOYSA-N	297.358	2.611	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c1F	161477178	PZLNJHHRYOIKSG-CHWSQXEVSA-N	263.312	2.528	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H]1CCC[C@H](C)C1	160078928	ISKSDPDYJWZXQG-XQQFMLRXSA-N	269.385	2.661	70	20	CFID	
C[C@H](CC(F)F)C(=O)Nc1cccc(S(=O)(=O)F)c1	460093130	NNOVTJFIQCJQQD-SSDOTTSWSA-N	295.282	2.575	70	20	CFID	
CC1(CC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1	857674203	FLZAVJGJWGSSGB-UHFFFAOYSA-N	289.303	2.613	70	20	CFID	
Cc1cc(F)ccc1NCc1nnc2n1CCCC2	217317734	QJVIJLMDRANCTC-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
C[C@H](CNCc1ccc2cc[nH]c2c1)N(C)C1CC1	217537154	CLLBTIXKKWDXSW-GFCCVEGCSA-N	257.381	2.740	70	20	CFID	
CNC[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1	218063014	DYWAHTUXFIABNB-RYUDHWBXSA-N	268.351	2.957	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	161018623	CQWFZMGHKMRFCM-HOTGVXAUSA-N	286.419	2.786	70	20	CFID	
CC(C)c1cc(C(=O)N2CCc3c(F)cccc3C2)n[nH]1	161027012	RKACHSVLHISFEV-UHFFFAOYSA-N	287.338	2.871	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NCCC(=O)NC1CCCC1	161414150	MTOZYYUIPYRERR-UKRRQHHQSA-N	266.429	2.994	70	20	CFID	
C[C@H]1CN(C(=O)c2ccc(N(C)C)cc2F)CC(C)(C)O1	161471910	VQCCFDOMKWUUOP-NSHDSACASA-N	294.370	2.531	70	20	CFID	
Cc1ncc(C(=O)N[C@@H]2CCCc3sccc32)c(C)n1	160012288	QNZSQSBRCPUONP-CYBMUJFWSA-N	287.388	2.962	70	20	CFID	
C[C@H](CC(=O)N(C)c1ccccn1)c1ccncc1	160107586	IANVQJQMYGZJDJ-GFCCVEGCSA-N	255.321	2.633	70	20	CFID	
CCCCn1ncc(NC(=O)NCCCCCOC)c1C	160228808	PPDHQIADIIOBHP-UHFFFAOYSA-N	296.415	2.930	70	20	CFID	
CCCCCNC(=O)N(CCOC)Cc1ccc(C)o1	160262743	GOSAITUDKGCTDM-UHFFFAOYSA-N	282.384	2.936	70	20	CFID	
C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)CC(C)(C)O1	160487846	XPIADYKWYZJTNP-ZRQQLDRUSA-N	294.782	2.774	70	20	CFID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1cc(C)no1	160515012	UDZMCBHXLWCWFC-PWSUYJOCSA-N	267.373	2.678	70	20	CFID	
Cc1cccc(CC(=O)NC[C@H]2CCCN2CC(C)C)c1	160559255	HEGOIMQIOSGMGH-QGZVFWFLSA-N	288.435	2.774	70	20	CFID	
CCC[C@H](C(=O)Nc1c(OC)ncnc1N(C)C)C(C)C	160621694	MDBDNEOTDRPRQD-NSHDSACASA-N	294.399	2.562	70	20	CFID	
C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]1O	160825832	PSIJTCVKMPUVGK-BPNCWPANSA-N	281.783	2.548	70	20	CFID	
COc1ncccc1CNC(=O)c1ccc(C(C)C)nc1	160899633	OBJSQBYSCQOKTA-UHFFFAOYSA-N	285.347	2.539	70	20	CFID	
CCCCNc1ccccc1C(=O)N[C@H](C)COC	160956213	CIYNLXRNVSZCAM-GFCCVEGCSA-N	264.369	2.663	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNCC1CC1	159445412	MMANFZWKSDBAMX-GFCCVEGCSA-N	294.826	2.729	70	20	CFID	
C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C[C@H](C)C1	159721012	VPZSJXDZDOJFRN-ZIAGYGMSSA-N	281.421	2.884	70	20	CFID	
CCCSCC(=O)NC[C@H](C[C@H](C)O)c1ccccc1	159571931	NBJPNJODPYBFAA-ZFWWWQNUSA-N	295.448	2.801	70	20	CFID	
CCCn1nccc1CNCc1ccc(OC)c(OC)c1	159976441	NBPANAUJEVBSPP-UHFFFAOYSA-N	289.379	2.600	70	20	CFID	
COC[C@@H](NC(=O)CCCn1cccc1)c1ccc(C)o1	159781599	WNMKRXVSJQSLJW-CQSZACIVSA-N	290.363	2.674	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)Cc1c(F)cccc1Cl	160773736	OPTHNDCXVXKJFV-ZDUSSCGKSA-N	287.762	2.545	70	20	CFID	
CCCCCNC(=O)NCCc1ccc(OC)cc1	217511591	YGFDNUOQLVKJLF-UHFFFAOYSA-N	264.369	2.727	70	20	CFID	
CC(C)CSCCCNC(=O)/C=C/c1cccnc1	160726170	DLAASTPZJWIKTL-VOTSOKGWSA-N	278.421	2.990	70	20	CFID	
COCCC1(CNC(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1	161130642	SYOVZCKIXDROAO-CQSZACIVSA-N	291.395	2.678	70	20	CFID	
COc1ccc([C@@H](NC(=O)c2cc(C)ncn2)C(C)C)cc1	161377274	AGERZUJXUPVPEQ-INIZCTEOSA-N	299.374	2.921	70	20	CFID	
CCc1ccccc1CNC(=O)NCCc1ccncc1C	161459027	SERFNMDNEPICHG-UHFFFAOYSA-N	297.402	2.994	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc2[nH]cnc2c1	160046300	ZQXXFEGPFWFHCW-ZDUSSCGKSA-N	299.374	2.785	70	20	CFID	
COc1ccc(OC)c([C@H](C)NCC2(CO)CCCC2)c1	160108794	ONWLLRYIUHIBCA-ZDUSSCGKSA-N	293.407	2.907	70	20	CFID	
COc1ccc([C@@H](NC(=O)[C@@H]2CCCCO2)C2CC2)cc1	160353055	KALPFOZJCWVXDH-HOTGVXAUSA-N	289.375	2.832	70	20	CFID	
Cc1nc(N)sc1-c1nc([C@H]2CCCS2)no1	160588623	IAEICHCCSPIQGZ-ZCFIWIBFSA-N	268.367	2.652	70	20	CFID	
CCC(CC)c1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)on1	160620378	RMTHCKVJJZKQNF-BETUJISGSA-N	291.395	2.545	70	20	CFID	
CS[C@@H](C)C(=O)N[C@@H](C)CC(=O)c1cccs1	160838965	FCMYJGYXDRXAQD-IUCAKERBSA-N	271.407	2.577	70	20	CFID	
CCOc1cc(NC(=O)NC[C@@H](C)SC)ccc1OC	160956577	MSCCTADGBRGAEX-SNVBAGLBSA-N	298.408	2.967	70	20	CFID	
O=C([C@H]1CCCNC1)N1CC[C@H](c2ccc(Cl)cc2)C1	159812279	VGPJCTIKHFPVKK-KBPBESRZSA-N	292.810	2.656	70	20	CFID	
C[C@@H](CNC(=O)N[C@H]1CCOC(C)(C)C1)c1nccs1	159631697	YUYZGDQEZQEUBG-QWRGUYRKSA-N	297.424	2.503	70	20	CFID	
C[C@H](C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)C1CC1	159883079	VEXLTSMMBKSXNQ-DVOMOZLQSA-N	275.392	2.703	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H](C)CCCC(C)C)CC1	159510582	RGKITKSMTOIPRJ-HNNXBMFYSA-N	283.460	2.938	70	20	CFID	
Cc1nc2c(n1Cc1nccn1C(F)F)CCCC2	160731700	ZZQWFUBTJUJQND-UHFFFAOYSA-N	266.295	2.710	70	20	CFID	
CC(C)(C)C[C@@H](CO)Nc1ncnc2c1CCCC2	161443134	DZNGTSALRYPCEE-NSHDSACASA-N	263.385	2.564	70	20	CFID	
CC(=O)[C@H]1C[C@H](CC(=O)NC2CCCC2)C1(C)C	218439481	GNBHFPDNJSOFCT-DGCLKSJQSA-N	251.370	2.687	70	20	CFID	
CCc1ncnc(NC[C@]2(C)CCCS2)c1F	218067453	JSMFTWBSJQSIPO-LBPRGKRZSA-N	255.362	2.876	70	20	CFID	
COc1ccc(CN2[C@H]3CC[C@H]2CC(=O)C3)cc1F	217795574	BZZIWKNPRXIIEZ-RYUDHWBXSA-N	263.312	2.530	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H]2CCN(C)C[C@@H]2C)C1	161017118	AHHYPUKIXKFRNJ-YESZJQIVSA-N	295.515	2.817	70	20	CFID	
COCCOc1cccc(NC(=O)NC[C@@H](C)SC)c1	161057110	FPQUOKOZHCCXTI-LLVKDONJSA-N	298.408	2.585	70	20	CFID	
Cc1ccc(-n2nc(C(C)C)cc2NC(=O)[C@H](C)N)cc1	161295571	BKFFHUDBNRXFRM-LBPRGKRZSA-N	286.379	2.590	70	20	CFID	
Cc1ccccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1	161409724	AGYHCUCITJGUBI-MRXNPFEDSA-N	296.418	2.912	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)C2CCC2)o1	161484109	GTQRZCLGGXKYPW-CYBMUJFWSA-N	263.337	2.890	70	20	CFID	
CC(C)(F)C(=O)NCc1nnc(-c2ccccc2)s1	160008396	SFMCHJUBNOFRKM-UHFFFAOYSA-N	279.340	2.569	70	20	CFID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)[C@H]1CCOC1	160089133	ZIPRFVNAKRKMHL-LSDHHAIUSA-N	278.396	2.774	70	20	CFID	
Cc1noc(CSCCC(=O)N(C)c2ccccc2)n1	160091676	JMNDZAADNKSRSO-UHFFFAOYSA-N	291.376	2.664	70	20	CFID	
Cc1nc(CCNC(=O)c2cc(F)ccc2O)sc1C	160094176	BPIGNEIXYYLKMM-UHFFFAOYSA-N	294.351	2.577	70	20	CFID	
CCC[C@@H]1CN(c2nc(C(C)(C)C)ns2)CCO1	160146951	VCOJGCBFFUWCBL-SNVBAGLBSA-N	269.414	2.841	70	20	CFID	
N[C@@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1	160295321	SXFOHOSMYIANGQ-QGZVFWFLSA-N	294.398	2.768	70	20	CFID	
CSc1cc(C(=O)NCC2CCN(C)CC2)ccc1F	160366625	UZOALFLGDZPUDF-UHFFFAOYSA-N	296.411	2.619	70	20	CFID	
C[C@H](CO)CNC(=O)CCc1ccc2ccccc2c1	160470030	YEPLXRDDKKAHIM-ZDUSSCGKSA-N	271.360	2.517	70	20	CFID	
CC(=O)N1CCCc2cc(NC(=O)NC(C)C)ccc21	160844738	FHDACMYESIJWRV-UHFFFAOYSA-N	275.352	2.516	70	20	CFID	
COc1cccc(-c2nc(C(=O)N[C@@H](C)C3CC3)c(C)[nH]2)c1	159702877	NHZGZOPUNLNMHD-JTQLQIEISA-N	299.374	2.922	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CNCC1CC1	159527839	SFYWVOXRYLLPCS-DIFFPNOSSA-N	290.382	2.565	70	20	CFID	
CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCCCO2)c1	159993614	XBXLJRZXAKFAGF-HNNXBMFYSA-N	293.363	2.992	70	20	CFID	
O=S(=O)(Cl)c1c[nH]c2cccc(Cl)c12	106958753	WYQDYFXLGOHPEG-UHFFFAOYSA-N	250.106	2.749	70	20	CFID	
CC[C@@H](C)[C@H](O)CNc1nc(C(C)(C)C)ns1	159449098	FVHVYFHXMOFNRT-RKDXNWHRSA-N	257.403	2.655	70	20	CFID	
Cc1ccc(SCC(=O)N[C@H](CCO)C(C)C)cc1	160631615	OGIYBYPEWIGLJS-CQSZACIVSA-N	281.421	2.610	70	20	CFID	
CC(C)C1(CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1	160818994	DYXCPGKMKJBJPT-UKRRQHHQSA-N	274.408	2.875	70	20	CFID	
CC[C@@H]1CCc2ccccc2N1CCS(=O)(=O)F	883954496	PJTWNKGTSHUWCU-GFCCVEGCSA-N	271.357	2.517	70	20	CFID	
C[C@@]1(NC(=O)Nc2ccc(Cl)c(F)c2)CCOC1	161147558	CJAYYUXIGDUTRF-GFCCVEGCSA-N	272.707	2.780	70	20	CFID	
C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161289667	PNJLYTUMVAUBER-WOPDTQHZSA-N	279.767	2.976	70	20	CFID	
CC(C)n1ccnc1CN1CCN(C)C[C@@H]1c1ccccc1	161334079	HTTXCGODEZLDEU-QGZVFWFLSA-N	298.434	2.953	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)C(C1CC1)C1CC1	160159677	TXAPSQPFQVCACX-UHFFFAOYSA-N	296.411	2.548	70	20	CFID	
O=C(C[C@H]1COC(=O)C1)Nc1cccc(C(F)F)c1	160244301	FCGXJXFMIKNFCX-MRVPVSSYSA-N	269.247	2.516	70	20	CFID	
Cc1cccc(C)c1CNCCc1nnc2ccccn12	160412076	IQCBYAVZLGUWDO-UHFFFAOYSA-N	280.375	2.678	70	20	CFID	
CSc1ccc([C@@H](C)NCC(C)(C)O)cc1F	160609767	GNCRRGRWROSHBN-SECBINFHSA-N	257.374	2.969	70	20	CFID	
CCCC[C@H](CC)CNC(=O)NCC[C@H](O)CC	160635028	TZHIZLBRZDHZPB-QWHCGFSZSA-N	258.406	2.663	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCCOc1ccccc1	160840958	HQGMEPSSPLSKDL-UHFFFAOYSA-N	286.375	2.843	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c[nH]c1=O	159424933	UOPJGNLTQCZICM-UONOGXRCSA-N	286.306	2.565	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](C)NC(=O)C1CCCC1	159546105	HRCBPPKOQSFHLS-NFAWXSAZSA-N	294.439	2.766	70	20	CFID	
Cc1nsc(NC(=O)[C@@H](C)c2c(F)cccc2F)n1	159555789	YVOARJXLHAZPHC-LURJTMIESA-N	283.303	2.867	70	20	CFID	
C/C=C/C=C/C(=O)NCCOc1ccccc1Cl	159378997	YZULDXMZLNXGEX-DSXPNFDZSA-N	265.740	2.967	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)Nc1nccs1	159386167	MSFDYANTQLXHAM-UHFFFAOYSA-N	291.376	2.617	70	20	CFID	
CCOc1ccc(CNCc2ccnn2CC)cc1OC	159981837	VMKDJRVKXSIISR-UHFFFAOYSA-N	289.379	2.600	70	20	CFID	
C[C@@H](CN1CCCC1=O)NCc1ccc(Cl)cc1F	160780030	GQZZQTOUYIZMQB-JTQLQIEISA-N	284.762	2.580	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2cc3ccccc3s2)C1	161138035	ZCBKOTBLRUTZDM-RYUDHWBXSA-N	274.389	2.901	70	20	CFID	
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864238110	FBKOZMRHUUUXRY-GWCFXTLKSA-N	299.367	2.653	70	20	CFID	
CC(C)CC1(NC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1337360830	KJNQWOTVGDEWGP-UHFFFAOYSA-N	299.367	2.653	70	20	CFID	
CCSCC[C@H](C)NC(=O)c1ccccc1NC	160361011	YAWIXRZVAFTTRC-NSHDSACASA-N	266.410	2.990	70	20	CFID	
Cc1cccc(OCc2nnc3n2CCCC3)c1C	217323352	GHUVAFDVJJCNHS-UHFFFAOYSA-N	257.337	2.810	70	20	CFID	
Cc1nc(CNC(=O)[C@@H]2CCC[C@H](C)C2)cs1	161008518	VVAVAIQJHYGBQJ-GXSJLCMTSA-N	252.383	2.894	70	20	CFID	
C[C@@H](NC(=O)NO[C@@H]1CCCCO1)c1ccccc1	161120769	HRCNDAUCCUYCDO-DGCLKSJQSA-N	264.325	2.505	70	20	CFID	
O=C(Nc1cccc2[nH]ccc12)[C@H]1CCn2ccnc2C1	161131025	XQIVHAJCRWFCGC-NSHDSACASA-N	280.331	2.566	70	20	CFID	
COc1cccc(OCCCNC(=O)NC2(C)CCC2)c1	161415158	QSJDOEYIXQTELL-UHFFFAOYSA-N	292.379	2.706	70	20	CFID	
CN(C(=O)c1cccc(F)c1F)c1ccc2c(c1)OCO2	160151780	BEFKOZLVYXBOFU-UHFFFAOYSA-N	291.253	2.970	70	20	CFID	
COCCCCCNC(=O)C[C@@H](C)c1ccncc1	160277142	POCKHVSLHBGBJG-CYBMUJFWSA-N	264.369	2.508	70	20	CFID	
CNC(=O)c1ccc(OC)c(NCc2ccsc2)c1	160285290	UIBXOXUKLRITKC-UHFFFAOYSA-N	276.361	2.728	70	20	CFID	
CC[C@H](OC1CCCC1)C(=O)NCCCC(C)(C)CO	160371535	AQNMTMMNQKDNEK-AWEZNQCLSA-N	285.428	2.639	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NC[C@H]1CCCN1CC(C)C	160401789	OUHSNNQRNFVLOP-YCPHGPKFSA-N	266.429	2.659	70	20	CFID	
CCc1nc(CN[C@H](C)c2cc(C)c(F)c(C)c2)n[nH]1	160473097	AFROSMHCXUPNKG-LLVKDONJSA-N	276.359	2.974	70	20	CFID	
Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@](C)(O)C1	159623788	VABYGVLLVHDDKD-CZUORRHYSA-N	276.380	2.612	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C(C)C)n(C)n1	159832169	DDVJOMGOIMDYFO-VXGBXAGGSA-N	263.385	2.852	70	20	CFID	
Cc1cc(C(=O)NCC2(N)CCCCC2)nc2ccccc12	159487826	BOYNSEDQGLRVCZ-UHFFFAOYSA-N	297.402	2.935	70	20	CFID	
C[C@H](C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1)C1CC1	159882862	VEXLTSMMBKSXNQ-WWGRRREGSA-N	275.392	2.703	70	20	CFID	
Cc1noc(C)c1CN1CCN(CCC2CCCC2)CC1	159712513	ZKICIQDYACUGHT-UHFFFAOYSA-N	291.439	2.989	70	20	CFID	
C[C@H](CC(=O)N1CCC[C@H](O)C1)C1CCCCC1	159932428	UIPUZVAQJGYMGA-OCCSQVGLSA-N	253.386	2.576	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2CCS[C@H](C)C2)n1	159763369	HGYWDXGGSXBVBO-GFCCVEGCSA-N	296.440	2.898	70	20	CFID	
COc1cc(NCc2ccc(C(N)=O)cc2)ccc1F	160064988	KQPKPARYWJLKPD-UHFFFAOYSA-N	274.295	2.545	70	20	CFID	
C[C@@H](CS(=O)(=O)Cl)O[Si](C)(C)C(C)(C)C	170016023	SFYKJUGOFLKESJ-QMMMGPOBSA-N	272.870	2.965	70	20	CFID	
CCn1ccnc1CN1CCC[C@H]1c1cccc(C)n1	159722873	KVZWPZVGPIRYBA-HNNXBMFYSA-N	270.380	2.944	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ncccc1Cl	161060449	WWPVRNQTXFTPQR-SFHVURJKSA-N	284.768	2.902	70	20	CFID	
COC(CN1C[C@H](C)C[C@H]1c1cccc(F)c1)OC	161271380	LRHPOJPLFVQBHN-RISCZKNCSA-N	267.344	2.828	70	20	CFID	
CCOCCC1(CNC(=O)C2(CCOC)CCC2)CCC1	161399636	KFVXCRJRWPCIII-UHFFFAOYSA-N	297.439	2.906	70	20	CFID	
Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1	161406693	UZRBWCNFZGRNCR-INIZCTEOSA-N	296.418	2.912	70	20	CFID	
C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2ncn(C)n2)c1	161422575	VNQVTYXYTZUHSV-BXUZGUMPSA-N	299.378	2.792	70	20	CFID	
CC(C)CSCCCN[C@@H](C(N)=O)c1ccc(F)cc1	160012700	OECSPLWSKIOVQQ-CQSZACIVSA-N	298.427	2.721	70	20	CFID	
Cc1nc(COC(=O)c2ccnc(N(C)C)c2)c(C)s1	160233583	WHCBCINAOCZNHU-UHFFFAOYSA-N	291.376	2.578	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)n(C2CC2)c1C	160537591	JFLTYOLVZPCQEG-SNVBAGLBSA-N	292.379	2.511	70	20	CFID	
Cc1ccc(F)c(NC(=O)c2cccc(-n3ccnn3)c2)c1	160630164	ILHSQKSMYPKJEV-UHFFFAOYSA-N	296.305	2.967	70	20	CFID	
c1ccc([C@@H]2C[C@H](Nc3ncnc4nc[nH]c34)CCO2)cc1	160666263	ZYNALWAFXTYGBC-OLZOCXBDSA-N	295.346	2.685	70	20	CFID	
C[C@@H](CCC1CCCCC1)NC(=O)[C@H]1CSCN1	160913668	FWWGWSUTEURFMA-WCQYABFASA-N	270.442	2.514	70	20	CFID	
Cc1cc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1C	159647879	IXXNRVHUARXAKB-QWHCGFSZSA-N	298.390	2.507	70	20	CFID	
CNC[C@H](C)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C	159891194	UXLOKTCATZBXHQ-RRFJBIMHSA-N	274.408	2.555	70	20	CFID	
C[C@@H](CNC(=O)C1CCC(C)(C)CC1)N(C)C1CC1	159917142	CLTDTLDHRIJGAU-LBPRGKRZSA-N	266.429	2.802	70	20	CFID	
CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cn[nH]c1	159774696	YJPZYVBCTPJERB-AWEZNQCLSA-N	257.337	2.863	70	20	CFID	
CCOC(C)(C)CNC(=O)c1cccc2cc[nH]c12	159695837	UNLNRWBFHGSJGJ-UHFFFAOYSA-N	260.337	2.713	70	20	CFID	
CCSCC[C@H](C)NC(=O)[C@](C)(N)c1ccccc1	160209823	KEROTBBKYBRURU-SWLSCSKDSA-N	280.437	2.508	70	20	CFID	
CCOc1ccc(CNC(=O)N(CC)CC)cc1	217300910	ZOXDDKIUIVWOBQ-UHFFFAOYSA-N	250.342	2.637	70	20	CFID	
CCOCCCN(C)Cc1ccc(OC)c(C)c1	160504687	XYQRCFJSOBBIRB-UHFFFAOYSA-N	251.370	2.862	70	20	CFID	
CC(C)(C)[C@H](CCO)NC(=O)NCc1cccc(Cl)c1	161141802	UCDGSKIXTIRTOZ-ZDUSSCGKSA-N	298.814	2.936	70	20	CFID	
Cc1ccc2[nH]c(SCc3ccnn3C)nc2c1	161203001	SSUWQOODDQZJJC-UHFFFAOYSA-N	258.350	2.897	70	20	CFID	
CCC[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	161396070	AJZYBTMNDDODME-QWHCGFSZSA-N	276.380	2.532	70	20	CFID	
CC(C)(C)C[C@@H](CO)Nc1cc(N2CCCCC2)ncn1	161460736	IAMBRIOABPVHNP-ZDUSSCGKSA-N	292.427	2.676	70	20	CFID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)[C@@H]1CCOC1	160088880	ZIPRFVNAKRKMHL-HUUCEWRRSA-N	278.396	2.774	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnc(C(C)(C)C)s1	160442074	SMDBACIXDNDRBH-SECBINFHSA-N	298.408	2.512	70	20	CFID	
Cc1n[nH]c(C)c1NC(=O)Cc1c[nH]c2cc(F)ccc12	160376212	PPUGCPRAWZXYEM-UHFFFAOYSA-N	286.310	2.828	70	20	CFID	
NC1(CC(=O)Nc2ccccc2OCC2CC2)CCC1	160527598	BTKZKTAUUXOPAU-UHFFFAOYSA-N	274.364	2.685	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCC(C)(C)CN(C)C	160703090	ADJLEYARNXZMRY-UHFFFAOYSA-N	294.443	2.562	70	20	CFID	
Cc1ccc(CCC(=O)NOCc2cccnc2)c(C)c1	160752229	HIXLBJUNORNXJE-UHFFFAOYSA-N	284.359	2.879	70	20	CFID	
CCOC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1	160960059	BGXOUOIRZOQQGY-TVQRCGJNSA-N	299.729	2.562	70	20	CFID	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCCN	159695481	QITBJMRDIHXLPF-OAHLLOKOSA-N	262.397	2.937	70	20	CFID	
C[C@@H](OC1CCCCCC1)C(=O)Nc1ncccc1O	159725114	LRLHFNZQDYUDRZ-LLVKDONJSA-N	278.352	2.854	70	20	CFID	
CCC(CC)NC(=O)[C@H](C)Sc1ccncc1	159922791	LSGFEJYKPBNNSR-JTQLQIEISA-N	252.383	2.867	70	20	CFID	
CCc1cccc(C)c1NC(=O)N(C)CCCC(=O)NC	159786896	HINVQKFTPXCNTF-UHFFFAOYSA-N	291.395	2.547	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C(C)(C)C1CCCC1	160756428	WGZOLPNGSXRJIN-ZDUSSCGKSA-N	255.402	2.726	70	20	CFID	
CSCCCNCc1cncc(Br)c1	160577916	LTGAMIGBXNWHKY-UHFFFAOYSA-N	275.215	2.687	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N1C[C@H](C)OC[C@@H]1C	161134126	GTKDOQQWEDYUDV-ZDEQEGDKSA-N	279.405	2.796	70	20	CFID	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C[C@@H]1CCCN1	161424261	UNKFOMKYTPXUER-VNQPRFMTSA-N	272.392	2.533	70	20	CFID	
Cc1ccc(NC(=O)[C@@H]2CCCNC2)cc1OC(F)F	160092058	RCRUGJNZBYGNMT-SNVBAGLBSA-N	284.306	2.535	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2cc(C)ccc2o1	160193103	VLMAZCOCMLLDSY-NSHDSACASA-N	289.331	2.813	70	20	CFID	
CCOc1ccc(OCC(=O)NCC2(C3CC3)CC2)cc1	160234291	ODNCMJWLDAHWQI-UHFFFAOYSA-N	289.375	2.771	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccnc(F)c1	160323020	BBNPATZOYUOWKI-ZDUSSCGKSA-N	292.354	2.832	70	20	CFID	
CCC(N)(CC)CNC(=O)c1ccc(F)c(CSC)c1	160482977	QLVRQPUBBUUEKR-UHFFFAOYSA-N	298.427	2.936	70	20	CFID	
CC[C@@H](OC1CCCC1)C(=O)N(C)Cc1cccn1C	160489304	KDLRUDCAJCKZPL-OAHLLOKOSA-N	278.396	2.721	70	20	CFID	
O=C(NCC1(C2CC2)CC1)N[C@H]1[C@@H]2c3ccccc3C[C@H]21	160588939	WXIJKMNRPDDQCB-BZUAXINKSA-N	282.387	2.814	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1nnc(C(C)(C)C)s1	160761053	YCCWJEFOUJMDJR-ZETCQYMHSA-N	273.427	2.916	70	20	CFID	
CCC1(CNC(=O)NC2C[C@H](C)O[C@@H](C)C2)CCC1	159704916	VIOSQOGYEFLVJV-RYUDHWBXSA-N	268.401	2.822	70	20	CFID	
Cc1ccccc1NC(=O)N1CCC(Cn2ccnn2)CC1	159723743	ZEQDVJCBEKIAER-UHFFFAOYSA-N	299.378	2.531	70	20	CFID	
COCCN(C)C(=O)c1c(C)[nH]c2ccc(Cl)cc12	159957442	WPRZDHGOPAYUIM-UHFFFAOYSA-N	280.755	2.848	70	20	CFID	
CCO[C@H](CC)C(=O)N(C)c1ccc(OC)c(F)c1	159570413	MCYIAWRAHKGISE-GFCCVEGCSA-N	269.316	2.612	70	20	CFID	
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cc(C)n(C)n1	159585349	AWTVHOLUJSTICK-CYBMUJFWSA-N	286.379	2.784	70	20	CFID	
C[C@@H](CN[C@H](C)c1cnn(C)c1)N(C)Cc1ccccc1	160866450	WMGHNYFKUHKADC-LSDHHAIUSA-N	286.423	2.591	70	20	CFID	
O=C(OCCCCCF)c1ccc(S(=O)(=O)F)cc1	838093900	TYLOKDASLGWASX-UHFFFAOYSA-N	292.303	2.641	70	20	CFID	
COc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)C2)c(O)c1	218009998	YIJQXUDQTUVXPY-NWDGAFQWSA-N	277.364	2.957	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc[nH]c2C)n1	161236173	GGRLZHAAEYLADK-UHFFFAOYSA-N	295.346	2.923	70	20	CFID	
C[C@H]1CCc2c(sc(=O)n2Cc2nccs2)C1	161345501	GDGKYEYGVZSCDN-QMMMGPOBSA-N	266.391	2.539	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1Cl	160247441	KMOGUDNTUQGRLK-MDZLAQPJSA-N	295.766	2.879	70	20	CFID	
N=C(N)NCc1ccc(Sc2ccccc2)cc1	160376033	OOPJPDOJXNVYOW-UHFFFAOYSA-N	257.362	2.821	70	20	CFID	
CCCCNC(=O)CCN1CCC[C@@H]1c1cccc(C)n1	160393360	IDMWQAUJDUIPIY-MRXNPFEDSA-N	289.423	2.833	70	20	CFID	
CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1cccs1	160418999	LKCACRNRYNIRRT-NWDGAFQWSA-N	276.409	2.704	70	20	CFID	
CS[C@H](C)CC(=O)NCCCOCCc1ccccc1	160503143	SLHJELJIUUXQRM-CQSZACIVSA-N	295.448	2.894	70	20	CFID	
C[C@H](CC1CCCCC1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160639301	JAUASNXLFBTCNK-BMFZPTHFSA-N	278.440	2.946	70	20	CFID	
Cc1nn(C)c2ncc(NC(=O)N[C@@H](C)C3CCC3)cc12	160911754	FKOZVSAEICIPMX-VIFPVBQESA-N	287.367	2.587	70	20	CFID	
Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCC[C@H](N)C2)cc1	160982217	VKGXYSCHUUWRRL-UONOGXRCSA-N	299.374	2.650	70	20	CFID	
Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)cc1F	159629723	WDBNUIFHFNNSNC-LLVKDONJSA-N	290.342	2.615	70	20	CFID	
CS[C@H](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C	159381047	WOKKLULZZAVVMT-JHJVBQTASA-N	273.442	2.840	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC[C@@H]2CCCCO2)n1	159794144	FDIQPOBGQOCTKL-ZDUSSCGKSA-N	294.399	2.620	70	20	CFID	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H](C)c1nccs1	159797624	OHNUYHOBBXLNLX-IUCAKERBSA-N	292.408	2.506	70	20	CFID	
CC[C@@H](N[C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160928788	YPAJHDWTYKZUIT-CABCVRRESA-N	278.371	2.876	70	20	CFID	
COC(=O)c1ccc(NC[C@@H]2CCC[C@@H](C)C2)nn1	217931261	KLGYRWBAONYUBP-GHMZBOCLSA-N	263.341	2.501	70	20	CFID	
c1cc(CN[C@@H]2CCN3CCCC[C@@H]23)c2cc[nH]c2c1	218109808	PPHKIJKQBNDNEO-SJORKVTESA-N	269.392	2.884	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)CC1CCC1	1518501484	SUJYTKVLIMAFMR-UHFFFAOYSA-N	299.367	2.525	70	20	CFID	
C[C@@H](NCCc1ccc2c(c1)OCO2)c1ccco1	161145056	JSKCJOVJVOOLFO-LLVKDONJSA-N	259.305	2.902	70	20	CFID	
O=C(NCCc1cccnc1)c1nc2ccccc2s1	161160351	IXFTYMHYTXQZJO-UHFFFAOYSA-N	283.356	2.664	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@H]3C)c2C)o1	161405745	IJSKJBUCLUOGAK-XCBNKYQSSA-N	259.309	2.881	70	20	CFID	
COc1cc(CNC2CCC(NC(C)=O)CC2)ccc1C	161422236	LQHGGZLOYCISGZ-UHFFFAOYSA-N	290.407	2.541	70	20	CFID	
Cc1nc(O)ccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1F	161426867	BRKGAHIJFLMLCM-GXTWGEPZSA-N	286.306	2.521	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(F)cc2nccnc12	160015632	COOWJDVSJYGZIA-UHFFFAOYSA-N	285.322	2.689	70	20	CFID	
Cc1nc2ccccn2c1CN(CC(F)F)C1CC1	160215916	WGSOMBVVLZYYNZ-UHFFFAOYSA-N	265.307	2.872	70	20	CFID	
O=C(NCC(F)(F)F)Nc1nc(C2CC2)cs1	160416123	LDALHBWSIXDTDJ-UHFFFAOYSA-N	265.260	2.704	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C/C=C/c1ccccc1F	160759417	DJZAXXCGUVJMIC-HZRUHFOJSA-N	279.355	2.752	70	20	CFID	
CCCCN(C)c1ccc(C(=O)NC[C@@H](C)CCO)cc1	160922230	RGAIHFBDYCAMFA-AWEZNQCLSA-N	292.423	2.671	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)CCOc1ccccc1	159445135	ISDMPHIQTDJQDM-HOCLYGCPSA-N	261.365	2.960	70	20	CFID	
CCO[C@H]1C[C@H](N(C)C(=O)c2ccccc2O)C12CCC2	159479573	YKTQLOLUWRHJST-GJZGRUSLSA-N	289.375	2.812	70	20	CFID	
COC[C@H](NC(=O)c1ccc(Cl)nc1C)c1ccco1	159904066	VFDDJGMXQVGCBS-NSHDSACASA-N	294.738	2.754	70	20	CFID	
CCN1CCCN(C(=O)N[C@H](C)CCC(C)C)CC1	159514554	LAVXDAIMJLUBGY-CQSZACIVSA-N	269.433	2.548	70	20	CFID	
Cc1ccccc1[C@@H](C)NCCOC[C@@H]1CCCO1	159643975	UEGGNUXHICDCSL-CABCVRRESA-N	263.381	2.841	70	20	CFID	
CCOC(=O)c1ccc(N[C@@H]2CCOC(C)(C)C2)nc1	160605710	DSCYIERRTUSKGR-GFCCVEGCSA-N	278.352	2.628	70	20	CFID	
COc1cccc([C@@H](O)CN[C@H](C)c2ccco2)c1	160790889	DUZDQQYBPNTQDK-RISCZKNCSA-N	261.321	2.672	70	20	CFID	
CO[C@@H](C)[C@H](C)Nc1ccc(Cn2cccn2)cc1	161238844	WAMKHQKWFOQIQG-STQMWFEESA-N	259.353	2.767	70	20	CFID	
Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1	217285438	KYQXBBLXCVGGBP-CYBMUJFWSA-N	289.379	2.516	70	20	CFID	
CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(F)c(Cl)cc1F	160040556	IRJGKNLHXCTXAG-KRTXAFLBSA-N	291.725	2.755	70	20	CFID	
CCc1nc(NC(=O)NCC(F)(F)F)sc1C	160413097	JCONUSKWYBRHRZ-UHFFFAOYSA-N	267.276	2.698	70	20	CFID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)N1CCCCC1	160585548	VDJUWNDEOKWSBA-KBPBESRZSA-N	254.418	2.755	70	20	CFID	
COC[C@@H](C)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C	161264141	NLIKNXJEMUFBLL-OLZOCXBDSA-N	288.432	2.550	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@@H](C)Sc1ccccc1	161011985	WBPQFEZUMIAKAJ-CHWSQXEVSA-N	281.421	2.690	70	20	CFID	
CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1	161170099	XFHJOAQDTYYEQO-GXTWGEPZSA-N	299.374	2.792	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)CC3CCCC3)[nH]2)o1	160186791	NBZCFYYDFFXAHD-UHFFFAOYSA-N	274.324	2.892	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1csc(C2CC2)n1	160186904	ISONZIAISSDIPR-UHFFFAOYSA-N	262.378	2.941	70	20	CFID	
COc1ccsc1C(=O)NC[C@H]1CCCN1CC(C)C	160437141	WTJXZCVIKRBPII-GFCCVEGCSA-N	296.436	2.607	70	20	CFID	
COc1cccc(CCCNC(=O)NC2(C)CCC2)c1	160599424	UZQHXNGBTYLSFE-UHFFFAOYSA-N	276.380	2.870	70	20	CFID	
COc1ncccc1C(=O)Nc1cccc(OCCF)c1	160632427	AJMNACLKTRUYRA-UHFFFAOYSA-N	290.294	2.691	70	20	CFID	
CNC[C@@H](C)C(=O)Nc1ccc(COC2CCCC2)cc1	159602149	VRIQYXDJHTUJTK-CYBMUJFWSA-N	290.407	2.940	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccccn2)c1C	159848281	TYDSFEMNLGMAKP-UKRRQHHQSA-N	298.390	2.884	70	20	CFID	
CC(C)NCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159718023	PDCSQWHNDWLGFK-CVEARBPZSA-N	274.408	2.827	70	20	CFID	
CCOC(=O)CSc1cc(COC)nc(C(C)(C)C)n1	159727686	PTKAFKVSWDSHEE-UHFFFAOYSA-N	298.408	2.576	70	20	CFID	
COc1ncc(C)cc1NC(=O)CCCn1cccc1	159778463	OWAWXWYQZCMUNG-UHFFFAOYSA-N	273.336	2.619	70	20	CFID	
CC(C)(CNCc1coc2ccccc12)N1CCOCC1	159795151	PYXDGENQUWBOKR-UHFFFAOYSA-N	288.391	2.633	70	20	CFID	
CC[C@@H](NCCCN1CCCC1=O)c1ccccc1	159492418	PZIHUXVLQOSYFB-OAHLLOKOSA-N	260.381	2.740	70	20	CFID	
C[C@@H]1CCc2sc(C(=O)N[C@H]3CCC[C@H](N)C3)cc2C1	161148447	UFANSCDNUUDVEP-WXHSDQCUSA-N	292.448	2.873	70	20	CFID	
CC(C)C[C@@H](C)OCCCCS(=O)(=O)Cl	114257829	PKWNAUSAEUFPTJ-SNVBAGLBSA-N	256.795	2.786	70	20	CFID	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C(C)(F)F	298020325	UDXUPAPLRQUZFY-ZETCQYMHSA-N	295.282	2.575	70	20	CFID	
C[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241592	YQTZZKYCHWGBNS-LLVKDONJSA-N	299.367	2.607	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H](C)C(=O)OC(C)C)o1	161101620	YMANLTAMHYXCSN-VMPCVLLUSA-N	293.363	2.654	70	20	CFID	
CC(C)n1cc([C@H](C)N[C@@H]2CCC[C@H](N(C)C)C2)cn1	161122909	KMJQNSCDHJOALR-IMJJTQAJSA-N	278.444	2.987	70	20	CFID	
CCc1ccc([C@H](C)C(=O)N2CCC[C@H]2CNC)cc1	161230830	JQONZDOUVSYJIG-BBRMVZONSA-N	274.408	2.563	70	20	CFID	
CCN(CC)CCC[C@H](C)NC(=O)[C@H]1CC1(C)C	160081112	OZGNKFYRGIMDDB-QWHCGFSZSA-N	254.418	2.659	70	20	CFID	
CC[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccc(OC)cc1	160105370	LPVWDYFOSAFLFG-CABCVRRESA-N	277.364	2.832	70	20	CFID	
COc1c(Cl)cccc1NC(=O)N1CCC[C@@](C)(O)C1	160112669	ZEMLGFMJBIGIPG-CQSZACIVSA-N	298.770	2.727	70	20	CFID	
Cc1cc2c(cc1C)O[C@@H](C(=O)NCC1(C3CC3)CC1)C2	160182677	UHLWPYXSJLDEDW-MRXNPFEDSA-N	285.387	2.913	70	20	CFID	
Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CCO)C(C)C	160632937	YRQGXKYNDRBWHF-OAHLLOKOSA-N	288.391	2.542	70	20	CFID	
CC(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCCN1	160876138	NJHVGIWKIBRFBG-UONOGXRCSA-N	252.402	2.556	70	20	CFID	
CC(C)(C)Cc1cc(NC(=O)[C@H]2CCCCO2)[nH]n1	159712595	CPRPOQLVXJZXTN-LLVKDONJSA-N	265.357	2.506	70	20	CFID	
CC(C)C[C@@H]1CCCCCN1C(=O)CNCC1CC1	159917530	CVDMIADMGAKMSG-HNNXBMFYSA-N	266.429	2.803	70	20	CFID	
COCC(C)(C)C(=O)Nc1ccc2oc(N(C)C)nc2c1	159744228	ZMYJMVUEELNWHY-UHFFFAOYSA-N	291.351	2.505	70	20	CFID	
CCCC[C@H](Nc1ncccn1)C(=O)OC(C)(C)C	159979034	XOWJJFVOFMAKBI-NSHDSACASA-N	265.357	2.789	70	20	CFID	
CCc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1	159595687	XXPZYUMOZCROQU-ZNMIVQPWSA-N	261.365	2.889	70	20	CFID	
CC[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1	160786954	RXQDHBRNRVUCBN-LLVKDONJSA-N	292.276	2.545	70	20	CFID	
CCCNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	160944299	DXMXYIORLPTFFJ-GFCCVEGCSA-N	296.411	2.550	70	20	CFID	
CC[C@H](CO[C@@H](C)C(F)(F)F)CS(=O)(=O)Cl	117164881	ZLHLIEHETYDJIL-NKWVEPMBSA-N	282.711	2.549	70	20	CFID	
CN(CCC1CC1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	161213512	OJHDADIHJLQTHD-UHFFFAOYSA-N	299.378	2.746	70	20	CFID	
COc1ccc2c(c1)OC[C@H](C(=O)N1[C@H](C)CC[C@H]1C)C2	161486719	VSZADNXAOOWIJZ-YRGRVCCFSA-N	289.375	2.646	70	20	CFID	
COC[C@H](NCc1ccc(OC(C)C)nc1)C(C)C	160088566	ZNSUQHGQMBYTTE-AWEZNQCLSA-N	266.385	2.629	70	20	CFID	
C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]1CN	160352016	ZHAVJDFJUGCRCE-MNOVXSKESA-N	298.839	2.770	70	20	CFID	
CC(C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	160720226	GPYAPBPGWZHWEE-SNVBAGLBSA-N	299.777	2.765	70	20	CFID	
O=C1C[C@@H](CC(=O)N2CCC3(CCCCC3)CC2)CO1	160748180	QJKOECWUYLGOBB-CYBMUJFWSA-N	279.380	2.513	70	20	CFID	
C[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H](C)S1	160762469	FTCFIWMRAVJYKL-JHJVBQTASA-N	278.421	2.928	70	20	CFID	
COc1ccccc1SCc1nc([C@@H]2CCOC2)no1	160889381	CQWOXRNXPAMSTM-SNVBAGLBSA-N	292.360	2.874	70	20	CFID	
CC[C@H](O)CCNC(=O)NC1CCC(C(F)(F)F)CC1	160889898	CUCJWWDMWDNRLM-ILDUYXDCSA-N	296.333	2.568	70	20	CFID	
COC[C@H](NCCOc1ccc(Cl)cc1)C1CC1	159651020	XECFWWWNSKKDET-AWEZNQCLSA-N	269.772	2.733	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1ccccc1C(C)C	159879282	PZRJWTBYWJSXHK-UHFFFAOYSA-N	291.395	2.800	70	20	CFID	
Cc1ccc(-c2cc(NC(=O)[C@@H]3CC[C@H](C)O3)[nH]n2)s1	159686251	LWSIZMWODFTWLI-KWQFWETISA-N	291.376	2.953	70	20	CFID	
CC[C@@H](CC(=O)Nc1nc(C)no1)c1ccc(OC)cc1	159889137	SZNJQNBLQLLTAA-NSHDSACASA-N	289.335	2.909	70	20	CFID	
CC1CCN(CCCNC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1	159943471	KAWJWKHPHZKLOS-HOTGVXAUSA-N	295.471	2.796	70	20	CFID	
COc1ccc(N(C)C(=O)c2scnc2C)cc1F	159751384	VVAROLQGOFLTAF-UHFFFAOYSA-N	280.324	2.876	70	20	CFID	
CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCO2)cc1	159958807	QUUBFMJLPPCEKS-DOMZBBRYSA-N	261.365	2.995	70	20	CFID	
CC(C)(N)CNC(=O)CCc1ccc(C(C)(C)C)cc1	159977299	VLKGQAVOEUYFDW-UHFFFAOYSA-N	276.424	2.770	70	20	CFID	
Cc1ccc(S(=O)(=O)CCc2c(C)noc2C)cc1C	159989461	CCFGXYIKQMCPKA-UHFFFAOYSA-N	293.388	2.925	70	20	CFID	
OCC1(NCc2ccc(F)c(C(F)(F)F)c2)CCC1	160160275	BESVDYDTJYYBEM-UHFFFAOYSA-N	277.261	2.849	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1	161182722	MBBGGKXSXFJAPO-UWVGGRQHSA-N	287.190	2.993	70	20	CFID	
Cc1cc(Cl)cc(C)c1OCCS(=O)(=O)Cl	108304098	IAXSSEZXGMOTAL-UHFFFAOYSA-N	283.176	2.904	70	20	CFID	
O=S(=O)(Cl)c1cc(F)c(F)c(F)c1CCl	97957427	UMKBFDVMXPCCOH-UHFFFAOYSA-N	279.066	2.770	70	20	CFID	
CC1=C(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1	460092927	NNKPCDHEYNDDTI-UHFFFAOYSA-N	283.324	2.784	70	20	CFID	
O=S(=O)(Cl)[C@H](c1ccccc1)c1ccncc1	88251410	PLWQYORYXMADSS-GFCCVEGCSA-N	267.737	2.740	70	20	CFID	
CCCc1nc(CSCCN2CCOCC2)cs1	159830949	DSZVGTSZUSNPJR-UHFFFAOYSA-N	286.466	2.661	70	20	CFID	
Cn1nccc1CSc1nc2ccccc2n1C	161169565	GZYOMZURMQIUIJ-UHFFFAOYSA-N	258.350	2.599	70	20	CFID	
CCCCN(CC)C(=O)Cn1nc(C2CC2)nc1C1CC1	161487357	HTBAPLJDCCHWNY-UHFFFAOYSA-N	290.411	2.682	70	20	CFID	
CCn1cc(NC(=O)NCCc2cccc(C)c2)ccc1=O	160016535	IDODSKQYNXUMJC-UHFFFAOYSA-N	299.374	2.541	70	20	CFID	
OCC1(CNCc2c[nH]nc2-c2ccccc2)CCCC1	160089368	WAUIBYAUHGDMSY-UHFFFAOYSA-N	285.391	2.719	70	20	CFID	
CC[C@H](NCCN1CCC(N(C)C)CC1)c1ccccc1	160180946	MRHDDVRWCHLRPX-SFHVURJKSA-N	289.467	2.753	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1	160373097	RBXCIQFAHYVFDQ-STQMWFEESA-N	268.401	2.822	70	20	CFID	
COc1cc(OC)c([C@H](C)NCC(C)(C)O)cc1Cl	160642572	NOKIFWDSZIBCGF-VIFPVBQESA-N	287.787	2.779	70	20	CFID	
CCOC(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C	160666932	IMAUJZFIHFVYMJ-NWDGAFQWSA-N	295.404	2.620	70	20	CFID	
Cc1noc(-c2cccnc2N[C@H]2CCOC(C)(C)C2)n1	160698185	SFPLSTFQSRSNQW-NSHDSACASA-N	288.351	2.810	70	20	CFID	
CCNc1nc(C(=O)Nc2cc(OC)ccc2O)cs1	160706221	LZRSWMXTHDNNOT-UHFFFAOYSA-N	293.348	2.541	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)C1CC=CC1	160815738	LTCDVEJQTIZTFT-JTQLQIEISA-N	263.362	2.792	70	20	CFID	
C[C@H]1CCC[C@@H](NC(=O)N(C)CCC(=O)OC(C)(C)C)C1	160914574	OJDPEQHLJAESQM-QWHCGFSZSA-N	298.427	2.938	70	20	CFID	
CCC[C@]1(C)CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1	160932294	KJINLIFFTIIGIT-FUHWJXTLSA-N	288.435	2.985	70	20	CFID	
COCCCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	159543715	HBFYMCUYLOUUBA-ZBFHGGJFSA-N	291.391	2.697	70	20	CFID	
CC[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)OC	159491802	GTNSEWWCJJHCEJ-BXKDBHETSA-N	287.306	2.890	70	20	CFID	
C[C@@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241965	RASKCOSEBIKURW-GHMZBOCLSA-N	299.367	2.511	70	20	CFID	
Cc1cccc(OCCCC(=O)N[C@H]2CCC[C@@H](N)C2)c1	161175392	SSJLMYJSRKAMFP-CABCVRRESA-N	290.407	2.540	70	20	CFID	
CN(C)Cc1ccc(C(=O)NC[C@@H]2CC=CCC2)cc1	161307870	NIBZOQTXBJNTFV-CQSZACIVSA-N	272.392	2.834	70	20	CFID	
CC[C@@H](NC(=O)NCCc1ccncc1C)c1ccncc1	161485410	XPOWPMRISFBBHK-MRXNPFEDSA-N	298.390	2.778	70	20	CFID	
C[C@H]1CN(C(=O)C(C)(C)F)C[C@H](c2ccsc2)O1	160001318	QVTZMFGZDLDLNU-GXSJLCMTSA-N	271.357	2.785	70	20	CFID	
CC[C@@H](NC(=O)c1ccnn1C(C)C)c1c(C)noc1C	160042749	IJHVTIZPCGBOPN-GFCCVEGCSA-N	290.367	2.950	70	20	CFID	
CCCC1(CNC(=O)NCCCc2cn[nH]c2C)CC1	160233735	GLGJMFMMCRPHIY-UHFFFAOYSA-N	278.400	2.530	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)N[C@H]1C=CCCC1	160270948	RLBSURUFCQVCJZ-LSDHHAIUSA-N	279.428	2.515	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)CCC(C)C)[nH]2)o1	160286420	BGGXKIWUYUFWLM-UHFFFAOYSA-N	262.313	2.748	70	20	CFID	
CCN(CCNC(=O)C(C)(C)COC)c1cccc(C)c1	160341090	PTTSPQAPVHJFJD-UHFFFAOYSA-N	292.423	2.610	70	20	CFID	
O=C(NC[C@@H]1Cc2ccccc2O1)N1CCC2(CCC2)C1	160478593	QKEWAYLXQHXLIQ-AWEZNQCLSA-N	286.375	2.576	70	20	CFID	
CC[C@@H](C(=O)N[C@@H](C)[C@@H]1CCOC1)c1ccc(F)cc1	160480328	ZSACHGJEUSTQCQ-NJZAAPMLSA-N	279.355	2.861	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@H](C)COc1cccc(C)c1	160573257	ICOJVRLEFXHBLU-ZIAGYGMSSA-N	279.380	2.694	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)CCCOc1cccc(F)c1	160651813	HZGFYRMWSCRSLP-OAHLLOKOSA-N	297.370	2.508	70	20	CFID	
CCC[C@H]1C[C@@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160904114	LJRCUODIUROGFK-IUCAKERBSA-N	290.289	2.756	70	20	CFID	
CCN(Cc1nncn1C)[C@H](C)c1ccc(F)cc1	160807518	JOOCJIVWEJRFNB-LLVKDONJSA-N	262.332	2.537	70	20	CFID	
COCCC1(C(=O)N(C)Cc2cccn2C)CCCC1	160835316	DTDRQQQCMMUAJU-UHFFFAOYSA-N	278.396	2.580	70	20	CFID	
C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1	160858602	AQXVPZBODNXECA-BFYDXBDKSA-N	276.424	2.522	70	20	CFID	
COC[C@H](N[C@@H](CCCO)c1ccccc1)C1CC1	160916379	SBGSJQOSERMLAM-HOTGVXAUSA-N	263.381	2.515	70	20	CFID	
COc1ncc(N[C@H](C)c2ccccc2C)cc1C(N)=O	159818269	HQOOJWMZXNSMRQ-LLVKDONJSA-N	285.347	2.671	70	20	CFID	
C[C@H](CC(=O)N1CCC[C@@H](O)C1)C1CCCCC1	159932678	UIPUZVAQJGYMGA-TZMCWYRMSA-N	253.386	2.576	70	20	CFID	
CCC(CC)c1nnc(NC(=O)N[C@]2(C)CCOC2)s1	159976648	QFRWWQHDSNTOGO-CYBMUJFWSA-N	298.412	2.742	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@@H](C)c2cccs2)C[C@H](C)O1	159782414	AIEDWXPWSPZWDF-SDDRHHMPSA-N	267.394	2.878	70	20	CFID	
CCCn1nccc1CNc1cccc(-c2nnco2)c1	159988580	IJQXTQOBAPXEBS-UHFFFAOYSA-N	283.335	2.955	70	20	CFID	
C[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1O	159438572	GQQWCNQBVWKMLG-GWCFXTLKSA-N	289.297	2.788	70	20	CFID	
C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O	159403802	NBDPUOWZONHXKE-MFKMUULPSA-N	273.298	2.908	70	20	CFID	
Cc1cccc([C@@H](C)NCC(=O)NC2CCCC2)c1	160221498	NZWAJBJYSMOLJX-CYBMUJFWSA-N	260.381	2.704	70	20	CFID	
CCN(CCCO)C(=O)c1ccccc1C(C)(C)C	160569305	BKTVKPKHODZYQL-UHFFFAOYSA-N	263.381	2.829	70	20	CFID	
CC(C)CSCCCNC(=O)CCCn1ccnc1	160743248	GONXWCSAMVQXFN-UHFFFAOYSA-N	283.441	2.559	70	20	CFID	
CC[C@H](CCO)CNc1ccncc1Br	159865202	VNNHMAVJEWOSND-SECBINFHSA-N	273.174	2.665	70	20	CFID	
CC(C(=O)Nc1ccc(S(=O)(=O)F)cc1)=C1CCC1	460089412	FHMCRONKOXVBMJ-UHFFFAOYSA-N	283.324	2.784	70	20	CFID	
COc1cc(N[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc(OC)c1	217913594	OLXQGLJKTVSAPQ-MQIPJXDCSA-N	278.396	2.844	70	20	CFID	
Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1C(N)=O	161026102	UJVSMOOPNQFUJB-PWSUYJOCSA-N	289.379	2.604	70	20	CFID	
CCCN(Cc1ccccc1)C(=O)c1cc(C)ncn1	161399089	WBYIURGHIZGMGP-UHFFFAOYSA-N	269.348	2.837	70	20	CFID	
CCCNC(=O)[C@@H](C)SCc1c(CC)noc1C	160089132	NSZVOYQBXMGKKT-SNVBAGLBSA-N	270.398	2.693	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1cccc(OC)c1	160340897	CXSVKMQSKSZOFM-UHFFFAOYSA-N	295.360	2.528	70	20	CFID	
CC[C@H](C)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160424536	KPNLBAOHOUCUDY-FZMZJTMJSA-N	278.352	2.774	70	20	CFID	
CS[C@H](C)CNC(=O)NCc1nc(C2CC2)cs1	160639069	NIWUMDXJTPBCHI-MRVPVSSYSA-N	285.438	2.571	70	20	CFID	
CC(C)c1ccc(C(=O)NCCCC(C)(C)CO)cn1	160766558	QRLHRYHQWCAIOI-UHFFFAOYSA-N	278.396	2.734	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@@H]1CCc2cc(F)ccc21	160843813	SVGPIVDBEAPLCT-IINYFYTJSA-N	265.328	2.744	70	20	CFID	
CCS[C@H](C(=O)N(C)Cc1cccn1C)C(C)C	160994331	TWDLGIRFZZTXKO-ZDUSSCGKSA-N	268.426	2.761	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(C)cc1Cl	159851825	NDAZYYUWKKRNDH-UHFFFAOYSA-N	297.786	2.638	70	20	CFID	
CCOCCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	159537075	RWNQZCRBISLJTO-ZBFHGGJFSA-N	291.391	2.697	70	20	CFID	
CO[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159946829	PKSAJTFRUDHUSB-CYBMUJFWSA-N	253.386	2.840	70	20	CFID	
CC[C@@H](CC(=O)N(C)CCOC)c1ccc(OC)cc1	159958015	YAJWNXLPQOJJLQ-ZDUSSCGKSA-N	279.380	2.684	70	20	CFID	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H](C)c1nccs1	159797489	OHNUYHOBBXLNLX-DTWKUNHWSA-N	292.408	2.506	70	20	CFID	
Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)cc1C(N)=O	161025696	UJVSMOOPNQFUJB-CMPLNLGQSA-N	289.379	2.604	70	20	CFID	
O=C(N[C@H]1CCC[C@@H]1O)C1(c2cccc(F)c2)CCCC1	161264550	ULMNVKDJBXQYMS-GJZGRUSLSA-N	291.366	2.667	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N1CC[C@H](N2CCCC2)C1	161332917	MDKXYMDIGQEYPV-AWEZNQCLSA-N	292.810	2.959	70	20	CFID	
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](N)C1	161385898	GQTSWSGHOQJIQX-ZIAGYGMSSA-N	299.374	2.650	70	20	CFID	
COc1ccc2c(c1)C=C(C(=O)N1[C@@H](C)CC[C@@H]1C)CO2	161476769	HIDTXSUHUUCKSD-RYUDHWBXSA-N	287.359	2.870	70	20	CFID	
CCN(C(=O)Nc1cccc(-c2ncn(C)n2)c1)C(C)C	161501610	SQEAHJFBECHIAA-UHFFFAOYSA-N	287.367	2.744	70	20	CFID	
CC(C)c1ccc(C[C@@H](C)NC(=O)NC[C@H](C)CO)cc1	160070135	BJPJXMOZMKRSHT-UONOGXRCSA-N	292.423	2.669	70	20	CFID	
CN(Cc1nccn1C)C(=O)C1(Cc2ccccc2)CCC1	160147697	GRWOISSVDSXIEH-UHFFFAOYSA-N	297.402	2.792	70	20	CFID	
Cn1ccnc1[C@H](NC(=O)C1=CCCC1)c1cccc(F)c1	160208914	IHSYAYHFZWOJGN-OAHLLOKOSA-N	299.349	2.875	70	20	CFID	
COCC(C)(C)C(=O)NCCCO[C@@H](C)c1ccccc1	160409285	XRIHUYABANSUAZ-AWEZNQCLSA-N	293.407	2.943	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@H]1Cc1ccccc1	160605347	VMQKUSAGIYGEQA-HOTGVXAUSA-N	273.376	2.789	70	20	CFID	
CC1(C)C[C@H](NCc2cc3ccccc3nc2O)CCO1	160635579	SFBOENDZTRWYNY-CQSZACIVSA-N	286.375	2.988	70	20	CFID	
O=C(NC1CC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	160718155	DXYHNGAEPBIKCE-SNVBAGLBSA-N	297.761	2.519	70	20	CFID	
CCC(=O)c1cccc(NC(=O)CN(C)C(C)C)c1	160720060	CFPNAMSDHMDFAR-UHFFFAOYSA-N	262.353	2.558	70	20	CFID	
C[C@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)[C@H](C)CN1C	160773688	LDQRCWZABSOUOI-FZCLSBEQSA-N	290.451	2.819	70	20	CFID	
Cn1cnnc1CN[C@H](c1ccccc1)C(C)(C)C	160827494	BBIXEJPFJHECDO-CQSZACIVSA-N	258.369	2.692	70	20	CFID	
Cn1cnnc1CSc1nc2cc(Cl)ccc2o1	160957326	NLYIAPSSUDVHSQ-UHFFFAOYSA-N	280.740	2.902	70	20	CFID	
CCC[C@](C)(O)C(=O)Nc1cc(C2CCCCC2)nn1C	159452344	SVLLGCVBKOYLAZ-INIZCTEOSA-N	293.411	2.957	70	20	CFID	
Cn1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)n1	159452678	KKNDQZCABPWEDB-ASNHAOSHSA-N	277.343	2.667	70	20	CFID	
COc1ccc(C)c2c1N(CC(=O)N(C)C(C)C)CCC2	159659630	BTLXXMMPGXZKEQ-UHFFFAOYSA-N	290.407	2.623	70	20	CFID	
CCOC(C)(C)CNc1ccc(C(F)(F)F)nn1	159525044	GGJYJUIKIDTNDU-UHFFFAOYSA-N	263.263	2.722	70	20	CFID	
CC1=C(C(=O)NCCc2ccccc2F)CCCO1	159525401	IHXGPDNPVJNWKC-UHFFFAOYSA-N	263.312	2.569	70	20	CFID	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NC2(C)CCC2)C1	159937677	ZCXXEGULBGDVSK-HZSPNIEDSA-N	281.444	2.595	70	20	CFID	
CC1(C)CC[C@H](COC(=O)c2cc(F)c(F)cc2N)O1	160787131	BFDUNGDRGOWBAD-MRVPVSSYSA-N	285.290	2.661	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3s2)C1	161138135	ZCBKOTBLRUTZDM-VXGBXAGGSA-N	274.389	2.901	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H](N(C)C)C1	161491613	IIAWEDPWXUIRFK-VXGBXAGGSA-N	295.814	2.646	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cncc(F)c1	161057048	RFBUODKTPWXJJE-CQSZACIVSA-N	292.354	2.832	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)on1	161247032	WKWQETOYGICPNT-VIFPVBQESA-N	290.294	2.513	70	20	CFID	
CN(CCCN1CCCCC1)C(C1CC1)C1CC1	161303200	IHKVCULMCIKLJX-UHFFFAOYSA-N	250.430	2.983	70	20	CFID	
Cc1ccc(NC(=O)NC(C)(C)c2nccs2)cn1	161456108	KTQUWAJDJCOUOJ-UHFFFAOYSA-N	276.365	2.903	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N(C)CC(C)(C)O	161466642	NDBBYZWROZBJOG-LBPRGKRZSA-N	258.406	2.615	70	20	CFID	
COCCN(CC(C)C)c1nc(C(C)(C)C)ns1	160038570	IIVRFBLSFXEGEH-UHFFFAOYSA-N	271.430	2.944	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)C1CCCCC1	160173650	HFUHKYDRYAYWBX-UHFFFAOYSA-N	284.400	2.692	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCCc3sccc32)ncn1	160420519	KWXPSRWGKKNUHK-LLVKDONJSA-N	273.361	2.654	70	20	CFID	
CCOc1ccccc1CCNC(=O)NC1(C)CCC1	160624249	KIDKPDUVUFKQPI-UHFFFAOYSA-N	276.380	2.870	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1CC[C@H](N)C1)C(C)(C)c1ccccc1	160761196	SMWVATUGSWCXSS-CWRNSKLLSA-N	288.435	2.986	70	20	CFID	
Cc1cccc([C@H]2CCCCCN2C(=O)[C@H](C)N)c1	160983502	SMCCYTNIFZPSIR-DZGCQCFKSA-N	260.381	2.786	70	20	CFID	
CC(C)(C)n1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1	159465598	FKGMFHRLDGKMHN-ZNMIVQPWSA-N	289.423	2.685	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](N)C2)cc1	159942506	IYHZJZNIODILES-AEGPPILISA-N	260.381	2.690	70	20	CFID	
C[C@H](Cc1ccc(O)cc1)NCC1(N(C)C)CCCC1	160673676	WESPCSLFQNHIOG-CQSZACIVSA-N	276.424	2.787	70	20	CFID	
CC(C)(C)OC(=O)[C@H]1CCCN1C[C@@H]1CCC(C)(C)O1	160829909	DRHRNBWOYXWZRX-QWHCGFSZSA-N	283.412	2.750	70	20	CFID	
CN(Cc1cccc(N(C)C)c1)Cc1ccccn1	159823867	FWNOJKQYRCVLHF-UHFFFAOYSA-N	255.365	2.780	70	20	CFID	
C[C@@H](CC(F)F)C(=O)Nc1cccc(S(=O)(=O)F)c1	460093132	NNOVTJFIQCJQQD-ZETCQYMHSA-N	295.282	2.575	70	20	CFID	
C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H]1C	1337519983	LYSQQDQGASIETA-QWRGUYRKSA-N	299.367	2.605	70	20	CFID	
CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	161054951	TYMSFHKSOZJNNX-PMPSAXMXSA-N	274.408	2.641	70	20	CFID	
COc1ccc(NC2CCC(NC(C)=O)CC2)c(OC)c1	161077239	HWXMMXABZOWWDL-UHFFFAOYSA-N	292.379	2.563	70	20	CFID	
CN1CC[C@@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1	160101218	UAENLXUOGYQNPS-UONOGXRCSA-N	266.429	2.661	70	20	CFID	
COc1ccc(C[C@H](C)C(=O)NC[C@H]2CCCCO2)cc1	160111637	CHYXYAJCNKUCMF-XJKSGUPXSA-N	291.391	2.559	70	20	CFID	
CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCOC1)c1ccc(F)cc1	160480207	ZSACHGJEUSTQCQ-LNSITVRQSA-N	279.355	2.861	70	20	CFID	
CNC[C@@H](C)C(=O)NCC1(c2cccs2)CCCCC1	160496754	QXVBJAOUXGCEQY-CYBMUJFWSA-N	294.464	2.922	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1	160777672	UZHWYGPDGNDEKL-UMVBOHGHSA-N	286.485	2.755	70	20	CFID	
CCc1nnc(COc2ccnc3cc(OC)ccc23)o1	160899846	HGNKAQVQLQBBMN-UHFFFAOYSA-N	285.303	2.768	70	20	CFID	
C[C@H](CCn1cccn1)Nc1ccc2c(c1)CCC(=O)N2C	159452235	AFCYSQDBPIMNJJ-CYBMUJFWSA-N	298.390	2.683	70	20	CFID	
CCCCOc1ccc(C(=O)NC(C)(C)CCO)cc1	161493451	GRRHCTIMOQJUCK-UHFFFAOYSA-N	279.380	2.756	70	20	CFID	
CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)C1CCCC1	864240487	XUHCSSIMZMUWSJ-UHFFFAOYSA-N	299.367	2.750	70	20	CFID	
Cc1cc(Cl)c2c(c1)CCCN2CCS(=O)(=O)F	883954727	XPNNYHDASIOCAF-UHFFFAOYSA-N	291.775	2.700	70	20	CFID	
C[C@@H]1CCC[C@H](N[C@@H](C(N)=O)c2ccccc2)[C@@H]1C	217774265	HECZMCPGRURAFJ-RJZRQDKASA-N	260.381	2.627	70	20	CFID	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCCNC2)C1	161044435	SBNBYAHSAZVPSV-IOASZLSFSA-N	290.382	2.735	70	20	CFID	
CC(C)(C)c1ccc(CNC(=O)[C@]2(C)CCCNC2)cc1	161337439	GVCHFFUWDBUBKJ-GOSISDBHSA-N	288.435	2.990	70	20	CFID	
Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)ncn1	161378181	HZSCDTUGHSLJSG-OAHLLOKOSA-N	269.348	2.912	70	20	CFID	
CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(C)c1F	161404616	CORGVWNSJRTQHF-NWDGAFQWSA-N	265.328	2.774	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1ccncc1	161490916	HREHFWNSGJIFRG-SNVBAGLBSA-N	293.754	2.794	70	20	CFID	
COCCn1cc(NC(=O)C(C)(C)C2CCCC2)cn1	160161976	VZJSIODKRWDWBY-UHFFFAOYSA-N	279.384	2.684	70	20	CFID	
CC(C)(C)c1ccc(SCC(=O)N2CC[C@@H](N)C2)cc1	160246816	BTEXWTOIITWFDB-CYBMUJFWSA-N	292.448	2.636	70	20	CFID	
CCCn1c(C)nnc1CN(C)Cc1ncc(CC)s1	160484244	WGJURPIXOTXZBQ-UHFFFAOYSA-N	293.440	2.647	70	20	CFID	
Cc1ccc(CN(C)Cc2cc(C(N)=O)cs2)cc1	160640748	NHVBLBJMLFNNRE-UHFFFAOYSA-N	274.389	2.787	70	20	CFID	
CCCC[C@@H](COC)NC(=O)C[C@@H](C)c1ccncc1	160703796	QASKOBFIXMMQED-HIFRSBDPSA-N	278.396	2.897	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NC[C@]1(C)CCCC[C@@H]1O	160759868	IKQKRPSJDIYYLB-WFASDCNBSA-N	296.798	2.714	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)C[C@H]2CCCO2)c1C	159815729	BPGCZWGIIJWREP-CYBMUJFWSA-N	294.399	2.634	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NC2CCN(C3CC3)CC2)on1	159373270	TYQWWLUNESIZDP-NSHDSACASA-N	291.395	2.545	70	20	CFID	
CCOC(C)(C)CNC(=O)c1ccc2[nH]ccc2c1	159696668	NRJGZSCBVRQPRT-UHFFFAOYSA-N	260.337	2.713	70	20	CFID	
CSCC[C@@H](C)N(C)C(=O)c1ccc2c(c1)CNCC2	161251660	UWLMMIPJTWMLFL-GFCCVEGCSA-N	292.448	2.546	70	20	CFID	
O=C(C[C@H]1C=CCC1)Nc1ccc(S(=O)(=O)F)cc1	185103546	RVIXYMAHZSDHIL-JTQLQIEISA-N	283.324	2.640	70	20	CFID	
CC(C)(C)C(=O)NC[C@H]1CCCN(c2nccs2)C1	218111431	RJYPNBRHCHXGQW-LLVKDONJSA-N	281.425	2.522	70	20	CFID	
CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1	1336952518	KBTCZONCSNEUGU-LLVKDONJSA-N	299.367	2.607	70	20	CFID	
C[C@@H]1CCC[C@H](N[C@H](C)c2nnc3ccccn23)C1	217641725	YBXCQDZYHAHGGO-UPJWGTAASA-N	258.369	2.959	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)CO[C@H]1CCCC[C@H]1C	161502276	MOFISHQHXOGZEU-MQYQWHSLSA-N	253.386	2.981	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)[nH]n1	160083078	VVQNOLZQIDVTKI-NXEZZACHSA-N	261.350	2.830	70	20	CFID	
CCCCN(C)c1ccc(C(=O)Nc2nc(C)no2)cc1	160104326	OYSCDWAVZDIXLC-UHFFFAOYSA-N	288.351	2.867	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)[C@H]1C[C@@H]2CC[C@@H]1O2	160118469	CLMLVTDLDZYGAJ-BQUFFADESA-N	277.389	2.809	70	20	CFID	
CCc1nc(CN[C@@H](C)C(C)(C)c2ccccc2)n[nH]1	160401981	KLTLDBALTOFHHX-LBPRGKRZSA-N	272.396	2.823	70	20	CFID	
CCc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)s1	160559345	XGBVGMAGNYDWBC-ZYHUDNBSSA-N	290.436	2.876	70	20	CFID	
CC[C@H]1CCCCN1C(=O)c1cc(OC)c(O)c(OC)c1	160661213	FPXBXXHNDFIMFI-LBPRGKRZSA-N	293.363	2.814	70	20	CFID	
CN(C)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCCC1	160676481	CAUZWELPDLZSON-YESZJQIVSA-N	293.499	2.761	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H](COC)c2ccco2)o1	160687769	HKCOBWLEPGIWSD-MYSGNRETSA-N	289.331	2.952	70	20	CFID	
Cn1cc(CC(=O)NC2CC=CC2)c2ccccc21	160776463	VBNMUZMQCZVEJG-UHFFFAOYSA-N	254.333	2.556	70	20	CFID	
Cc1cccc(C)c1NC(=O)CN(C)CC1=CCCOC1	160931736	QKLYOSOOIMXTBU-UHFFFAOYSA-N	288.391	2.520	70	20	CFID	
CS[C@@H](C)CC(=O)NCCOc1cc(C)cc(C)c1	160949554	CSAHWAVXHHNZIS-ZDUSSCGKSA-N	281.421	2.940	70	20	CFID	
Cc1cnc([C@@H](NCCC(C)(C)O)C2CC2)s1	159703902	MOTGSRVODBYYTN-NSHDSACASA-N	254.399	2.653	70	20	CFID	
COCCCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159543435	HBFYMCUYLOUUBA-HOCLYGCPSA-N	291.391	2.697	70	20	CFID	
CCCOCC(=O)NCCc1cc(Cl)ccc1OCC	159368572	KZUAYJNPOBRAEZ-UHFFFAOYSA-N	299.798	2.824	70	20	CFID	
O=C(Nc1ccc(F)cc1Cl)N[C@H]1CC[C@H](O)CC1	159905089	QORANKNIDWIFMR-AOOOYVTPSA-N	286.734	2.904	70	20	CFID	
COc1ccccc1C[C@H](C)NCC1(CO)CCCC1	160101416	MLIJRIXJHWLGIF-AWEZNQCLSA-N	277.408	2.769	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1occc1Br	160191420	BZNJLIBWMPMVFT-UHFFFAOYSA-N	284.153	2.962	70	20	CFID	
CCO[C@@H](C)C(=O)N[C@H]1CCCc2sccc21	160141195	OARHZMKQJDGOSP-ONGXEEELSA-N	253.367	2.667	70	20	CFID	
COC[C@H](Cc1ccccc1)N[C@H](CCO)c1ccccc1	161027838	WXTSOAKELPQGMU-RBUKOAKNSA-N	299.414	2.957	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC(=O)NOCc1cccnc1	161102044	HGKCRCBBPTZRHS-ZIAGYGMSSA-N	277.368	2.781	70	20	CFID	
Cc1ccc([C@H]2COCCN2CCCN2CCCCC2)o1	161149371	NKOBEYVCZMXMST-MRXNPFEDSA-N	292.423	2.837	70	20	CFID	
CCN(CC)C(=O)N1CC=C(C(F)(F)F)CC1	160258718	LWDXMLZDRCAEGB-UHFFFAOYSA-N	250.264	2.643	70	20	CFID	
COCCN(Cc1ccc(C)o1)C(=O)NCc1ccco1	160264275	LMRNJTCEPSNFET-UHFFFAOYSA-N	292.335	2.539	70	20	CFID	
CN(CCC1CCOCC1)c1ncccc1Cl	160542188	ZGDHLIDDBCOLSE-UHFFFAOYSA-N	254.761	2.988	70	20	CFID	
Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCC[C@H](N)C2)cc1	160982348	VKGXYSCHUUWRRL-KBPBESRZSA-N	299.374	2.650	70	20	CFID	
Cc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2)nn1C	159628697	YVIWCVODVSPGIZ-SNVBAGLBSA-N	292.770	2.821	70	20	CFID	
COCC1CCN(c2nc(C(C)(C)C)ns2)CC1	159446913	PDJNPJQONWVHSQ-UHFFFAOYSA-N	269.414	2.698	70	20	CFID	
CC(C)C[C@H](N)C(=O)NCC(C)(C)Cc1ccccc1	159489758	PRVVZOWDEKVCPE-HNNXBMFYSA-N	276.424	2.745	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCc1nnc(C(C)C)o1	159703110	UQHBYEHAAIRVAP-NEPJUHHUSA-N	279.384	2.821	70	20	CFID	
CC[C@H](C)NC(=O)C(=O)Nc1cccnc1-c1ccccc1	159941091	ZQCVMFVTTXRCRK-LBPRGKRZSA-N	297.358	2.602	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@H](CC(N)=O)C1	159950361	UGHBKGXTDUGHJA-ZIAGYGMSSA-N	294.439	2.707	70	20	CFID	
Cc1n[nH]c(C)c1CN[C@H](C)c1ccc([S@](C)=O)cc1	159589148	LZWMNITWLGYTJZ-CFMSYZGJSA-N	291.420	2.615	70	20	CFID	
CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F	159427623	PHBIRICUBFMJOG-GHMZBOCLSA-N	284.350	2.776	70	20	CFID	
CC(C)(CCO)NC(=O)c1ccc2ccccc2c1	161496173	UBPJIPBPSHLSOU-UHFFFAOYSA-N	257.333	2.731	70	20	CFID	
COc1c(CNC[C@H]2CCC[C@H](C)C2)c(C)nn1C	218238252	TWZKONKHZPJMSC-AAEUAGOBSA-N	265.401	2.653	70	20	CFID	
C1CC(CCNC2C3CC4CC(C3)CC2C4)CCN1	216841566	YHQUCSYVYTYFBL-UHFFFAOYSA-N	262.441	2.790	70	20	CFID	
COC(=O)c1occc1CN[C@@H]1CCC[C@H](C)[C@@H]1C	217796059	XIVDECVQWQOJJQ-GMXVVIOVSA-N	265.353	2.981	70	20	CFID	
Cn1cnnc1CSc1ncc(-c2ccc(F)cc2)[nH]1	161002376	ILONLANCCRUYQA-UHFFFAOYSA-N	289.339	2.637	70	20	CFID	
Cc1noc(C)c1[C@@H](C)NC(=O)NC1(C)CCC1	161234308	OBNNLRCITDGVQG-MRVPVSSYSA-N	251.330	2.594	70	20	CFID	
COc1ccc(NC(=O)C2[C@@H]3[C@@H]2[C@@H]2CC[C@@H]3C2)cc1N	161249816	FMCQOIUKFAYREN-ZHMYYEFOSA-N	272.348	2.508	70	20	CFID	
Cc1nc(CSCCC(=O)N(C)c2ccccc2)no1	160100255	YHUCVFYAHIUYOE-UHFFFAOYSA-N	291.376	2.664	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)n1C	160315406	ZPBHHIYJPRFOEU-AWEZNQCLSA-N	290.407	2.945	70	20	CFID	
CCC(N)(CC)CNC(=O)COc1ccc(C(C)C)cc1	160509223	AOUXLJFYWZXUAT-UHFFFAOYSA-N	292.423	2.823	70	20	CFID	
Cc1cccc(O[C@H](C)C(=O)N(C)Cc2cccn2C)c1	160677673	REQGWZMSVHSVQT-CQSZACIVSA-N	286.375	2.759	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccccn1	160699749	UXWGJUBHXHZFNK-JTQLQIEISA-N	274.345	2.534	70	20	CFID	
Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1cccnc1)CO2	160779801	FXCWGPLXLFULGO-DOMZBBRYSA-N	297.358	2.884	70	20	CFID	
CS[C@@H](C)C(=O)N[C@H](C)CC(=O)c1cccs1	160839098	FCMYJGYXDRXAQD-BDAKNGLRSA-N	271.407	2.577	70	20	CFID	
CC(C)=CC(=O)NCCOc1ccccc1Cl	159412801	RMNIYISOEWYOQK-UHFFFAOYSA-N	253.729	2.801	70	20	CFID	
CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1cnn(C)c1	159673420	WEEIYVLEIDRPAM-QGZVFWFLSA-N	299.418	2.893	70	20	CFID	
CCCN1CCCN(C(=O)[C@@H](C)c2cccs2)CC1	159930168	OZNZFQVCWYJSGS-ZDUSSCGKSA-N	280.437	2.796	70	20	CFID	
CN(CCNc1nnc(C(F)(F)F)s1)C1CCCC1	160332579	HWWIBVPYJMBKOU-UHFFFAOYSA-N	294.346	2.843	70	20	CFID	
CC(C)(CO)CCCNC(=O)C(C)(C)c1ccccc1	160379316	DOMAMJBFHIIFED-UHFFFAOYSA-N	277.408	2.879	70	20	CFID	
CC(C)S(=O)(=O)CCCN1c2ccccc2C[C@H]1C	160458090	MGALONMIVFGVNI-CYBMUJFWSA-N	281.421	2.651	70	20	CFID	
CCN(CCCO)C(=O)c1cccc(C(F)(F)F)c1	160535773	OVWAGHTYPAHCKT-UHFFFAOYSA-N	275.270	2.550	70	20	CFID	
Cc1csc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	864238246	HIGMGAMDWWLJSF-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC[C@@H](C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318683	WGKUYPPQFQDFCK-MRVPVSSYSA-N	291.319	2.610	70	20	CFID	
O=C(Oc1cccc(F)c1)c1cccc(S(=O)(=O)F)c1	1262673584	UQCBBZOMHGGAKE-UHFFFAOYSA-N	298.266	2.703	70	20	CFID	
CN(C)S(=O)(=O)c1cccc(CSCCCF)c1	161072571	LLUXEGFBSXOUFH-UHFFFAOYSA-N	291.413	2.530	70	20	CFID	
CCn1c(SCc2ccnn2C)nnc1-c1ccco1	161166083	UUTUGTRRPLZVBS-UHFFFAOYSA-N	289.364	2.584	70	20	CFID	
CCCN(CCO)Cc1ccc(OC)cc1OC(F)F	161203145	PXDZWQHFJAJTAQ-UHFFFAOYSA-N	289.322	2.501	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](N2CCCC2)C1	161333036	MDKXYMDIGQEYPV-CQSZACIVSA-N	292.810	2.959	70	20	CFID	
CCC1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)CC1	161414744	AWCJIMXZRWDIET-UHFFFAOYSA-N	284.363	2.734	70	20	CFID	
CC(C)C(=O)NCCCNc1nc2cc(F)ccc2o1	161429257	IIEXLAGTNURYHK-UHFFFAOYSA-N	279.315	2.541	70	20	CFID	
CC(C)Oc1ccc(CNC(=O)[C@H]2CCCCO2)cc1	161441070	HXCXDPCSNZMXPK-OAHLLOKOSA-N	277.364	2.659	70	20	CFID	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C1CCCC1	161474458	XUDCCANLLDSGRW-NEPJUHHUSA-N	282.428	2.622	70	20	CFID	
O=C(COc1ccc2[nH]ccc2c1)NCc1cccs1	160054988	TZOHNVIUTXMKTK-UHFFFAOYSA-N	286.356	2.925	70	20	CFID	
CCN(CC)[C@H](CNC(=O)NC1(C)CCC1)c1ccco1	160216279	BBKCPAORLULWSB-CYBMUJFWSA-N	293.411	2.904	70	20	CFID	
CCC[C@H](CC)NC(=O)NCCc1ccncc1C	160251860	FSDKWPBCNIDXCH-AWEZNQCLSA-N	263.385	2.810	70	20	CFID	
CC1(NC(=O)NCc2cc3ccccc3[nH]2)CCC1	160299584	VUEWDESJJQUUIE-UHFFFAOYSA-N	257.337	2.910	70	20	CFID	
CC(C)n1cccc1C(=O)NCCOc1ccccc1	160322424	ZJJWCFJWLIQJRM-UHFFFAOYSA-N	272.348	2.878	70	20	CFID	
Cc1noc(C)c1CCNC(=O)C[C@@H](C)c1ccncc1	160479198	PDCYAUKJVIULHU-LLVKDONJSA-N	287.363	2.539	70	20	CFID	
C[C@]1(CNC(=O)Cc2ccc(O)cc2Cl)CCCS1	160508439	BFEVESATEOPCFV-CQSZACIVSA-N	299.823	2.990	70	20	CFID	
CCOC(=O)c1csc(N2C[C@H]3CCC[C@H]3C2)n1	160577724	IDSUABIKBUZFSJ-AOOOYVTPSA-N	266.366	2.556	70	20	CFID	
C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160592011	QLAKNSPAAHCRLX-NSHDSACASA-N	299.378	2.744	70	20	CFID	
Cc1ncccc1C(=O)Nc1cccc(OCCF)c1	160657462	KXYPWTDCGFPYLU-UHFFFAOYSA-N	274.295	2.991	70	20	CFID	
CC(C)C[C@@H](CO)Nc1ccncc1Br	159826811	RPZPLCLDMMWCSS-VIFPVBQESA-N	273.174	2.663	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@H]1CCCN1	159446054	HPGXZKHFFMBUMQ-SWLSCSKDSA-N	294.826	2.872	70	20	CFID	
CCc1ccc(CNC(=O)N2CCCN(CC)CC2)s1	159662850	NXGNXKBGMCKWCM-UHFFFAOYSA-N	295.452	2.548	70	20	CFID	
Cc1ccccc1[C@H](C)NCC(=O)N(C)CC(F)(F)F	159679201	STDZZSFGXSGXHG-NSHDSACASA-N	288.313	2.666	70	20	CFID	
CC[C@H](C)C[C@@H](C)NC(=O)N(C)CC1CCOCC1	159501018	UXDNKOALXSNDPM-QWHCGFSZSA-N	270.417	2.879	70	20	CFID	
C[C@@H](NC[C@@H](C)N1CCc2ccccc21)c1cnn(C)c1	159921131	OZFNHOQQWRUWDT-ZIAGYGMSSA-N	284.407	2.522	70	20	CFID	
C[C@H](O)CN(C)[C@@H](C)c1ncc(-c2ccccc2)o1	159371897	FNZZRHVIFCORFC-RYUDHWBXSA-N	260.337	2.715	70	20	CFID	
COC[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)C1CC1	159778633	SQYHLKYIOZBVBV-CQSZACIVSA-N	273.336	2.714	70	20	CFID	
Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@@H]2CCCN2)c1	159970352	RTDKPMWLGXVSBI-GJZGRUSLSA-N	274.408	2.965	70	20	CFID	
Cc1ccccc1CCC(=O)Nc1c[nH]c(=O)c(C)c1	159797274	UGTZATARMQPHGC-UHFFFAOYSA-N	270.332	2.563	70	20	CFID	
CN(Cc1cc(-c2ccccc2)no1)[C@H](CN)C1CC1	160158598	JMVSHUVAZGAEOV-MRXNPFEDSA-N	271.364	2.511	70	20	CFID	
Cc1nc2c(n1Cc1nc(C(C)C)no1)CCCC2	160728828	ODBTYOVIYWDFAR-UHFFFAOYSA-N	260.341	2.625	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)c1cccc(C(F)(F)F)c1	160731200	CLQYXTNWYAUWTA-LBPRGKRZSA-N	289.297	2.842	70	20	CFID	
CCCCOCCCCCCS(=O)(=O)Cl	112155469	KUFFDTZBHMPHFO-UHFFFAOYSA-N	256.795	2.932	70	20	CFID	
O=C(NCc1ccc(Cl)cc1)N1CCCC[C@H]1CCO	217315353	OXTYHOUJZSYHQJ-AWEZNQCLSA-N	296.798	2.787	70	20	CFID	
N#CCCCCCC(=O)Nc1cccc(S(=O)(=O)F)c1	808739788	CREINTYNWWNSLV-UHFFFAOYSA-N	298.339	2.757	70	20	CFID	
CCOP(=O)(OCC)OCCBr	114445790	YCQVNMKLANFADW-UHFFFAOYSA-N	261.052	2.579	70	20	CFID	
CC[C@H](COCCC(C)C)CS(=O)(=O)Cl	114472617	BZDRPFALLRMUTF-SNVBAGLBSA-N	256.795	2.644	70	20	CFID	
CCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1	865205819	RUWMCAIJQAZLEX-SNVBAGLBSA-N	287.356	2.605	70	20	CFID	
CCc1noc(C)c1CS[C@H]1CCN(C2CC2)C1=O	159960975	ZRUAOYPORFDGGP-ZDUSSCGKSA-N	280.393	2.542	70	20	CFID	
O=C(/C=C/C1CCCCC1)N[C@H]1CCN(c2ccccn2)C1	161241225	PSDSNTJDZQKDRR-SCOAYWHSSA-N	299.418	2.913	70	20	CFID	
CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](CC(C)C)C1	161475350	MTDGSVGVFGHMTQ-BFHYXJOUSA-N	254.418	2.645	70	20	CFID	
CCN(CC)[C@H](C)CNC(=O)[C@@H](C)c1cccs1	160070764	FHGBWIRABUPSGO-NEPJUHHUSA-N	268.426	2.698	70	20	CFID	
COCCn1c(-c2ccn(C)c2)nc2ccccc21	160268558	QVOCTYUJEYLXRO-UHFFFAOYSA-N	255.321	2.688	70	20	CFID	
Cc1cccc(C)c1CCN[C@H](C(N)=O)c1ccccc1	160615528	BTQVEWLUHUKDOO-KRWDZBQOSA-N	282.387	2.662	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)CC1CCCC1	160709049	KRPOHBAIIXDYCK-NWDGAFQWSA-N	269.385	2.661	70	20	CFID	
CN(C(=O)Cc1ccc2ccccc2c1)[C@H](CN)C1CC1	159809497	SQUNKQGWAITHJH-QGZVFWFLSA-N	282.387	2.578	70	20	CFID	
Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c1	159621359	AXBGBFFOXCNMQT-CYBMUJFWSA-N	286.379	2.784	70	20	CFID	
CCC(C)(CC)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1	159470024	JOBNEKKWFRCSEY-CQSZACIVSA-N	297.439	2.857	70	20	CFID	
CCCN(CCC)C(=O)Nc1ccnn1C[C@@H]1CCOC1	159719188	OCQYXICCYJCIFL-ZDUSSCGKSA-N	294.399	2.574	70	20	CFID	
NC1(CNC(=O)C[C@@H]2CCc3ccccc32)CCCCC1	159723061	MGCFBMYUOCYLQF-HNNXBMFYSA-N	286.419	2.884	70	20	CFID	
Cc1ccccc1[C@@H](C)NCCCNC(=O)C1CCC1	159760223	VNOFIPDBKIQHOA-CQSZACIVSA-N	274.408	2.952	70	20	CFID	
O=C(CCC(=O)c1ccccc1)NCC1(C2CC2)CC1	159768288	CIVROAGOGRUSJA-UHFFFAOYSA-N	271.360	2.956	70	20	CFID	
Cn1c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccc21	159571457	UETVFZYZLOFARS-JLZZUVOBSA-N	297.402	2.621	70	20	CFID	
O=C(c1ccccc1C(F)(F)F)N1CC[C@]2(CCNC2)C1	159395373	OJSADLQTVRCKIM-AWEZNQCLSA-N	298.308	2.531	70	20	CFID	
Cn1c(NC[C@H]2CSCCS2)nc2ccccc21	161089368	FTFVFDXUSIHPFK-JTQLQIEISA-N	279.434	2.834	70	20	CFID	
Cc1ccc(OC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)c1	1337726981	WIPUTEULIVPARC-UHFFFAOYSA-N	297.307	2.509	70	20	CFID	
Cc1cc(F)cc(NCc2nnc3n2CCCC3)c1	217319471	CCHVCOJRFOKFQL-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	161054828	TYMSFHKSOZJNNX-BZUAXINKSA-N	274.408	2.641	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)NCc1ncccc1F	160234952	PFHUWQYPRYYDKK-JQWIXIFHSA-N	265.332	2.599	70	20	CFID	
CC[C@H](C)NCc1ccccc1CN1CCN(CC)CC1	160355564	OFFKJUQYHHYLKH-INIZCTEOSA-N	289.467	2.712	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)C[C@@H]3C=CCC3)[nH]2)o1	160436059	WVBJLFPFZYRPHG-SNVBAGLBSA-N	272.308	2.668	70	20	CFID	
CC(C)c1cc(=O)n(Cc2cc(F)ccc2F)cn1	160700363	TYJCGVAFKWZKQU-UHFFFAOYSA-N	264.275	2.693	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccnn2C)C1	159633109	PRFMDJXKESHPMT-LLVKDONJSA-N	287.388	2.809	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccc2c(c1)OCCO2	159446294	BGDMSNRQPPKVJJ-GUYCJALGSA-N	289.375	2.553	70	20	CFID	
CC1(C)CCCC[C@H]1NC(=O)c1ncn(-c2ccccc2)n1	159860571	HMFWSJVSVGPWCF-CQSZACIVSA-N	298.390	2.966	70	20	CFID	
Cc1ncccc1C(=O)N[C@H]1CCCc2cc(N)ccc21	159373960	HVDUJHYVFNWQNU-INIZCTEOSA-N	281.359	2.780	70	20	CFID	
CC[C@](C)(CCO)NC(=O)Nc1ccnc(C)c1Cl	159760640	XJBRLBSKYJTLNQ-CYBMUJFWSA-N	285.775	2.716	70	20	CFID	
CCCn1nccc1CN[C@H](C)c1c(C)noc1C	160173731	VLZKBJDXSMUVLZ-SNVBAGLBSA-N	262.357	2.749	70	20	CFID	
Cc1cccc(C)c1CNc1ccc(CC(N)=O)cc1	160418662	AXHXZDGTJFDFFV-UHFFFAOYSA-N	268.360	2.943	70	20	CFID	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864244134	MDBDUDFMSWMZJQ-GXTWGEPZSA-N	299.367	2.509	70	20	CFID	
CCc1ncnc(NCC2(CO)CCCCC2)c1F	218060607	COLWKXRMMGSWSL-UHFFFAOYSA-N	267.348	2.533	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C(=O)OC)c1ccccc1	161072029	SBWODSVRMRHIDT-MRXNPFEDSA-N	284.359	2.818	70	20	CFID	
O=C(N[C@H]1CCC[C@@H]1O)C1(c2ccc(F)cc2)CCCC1	161215006	NIPCJNSMEGNAIN-GJZGRUSLSA-N	291.366	2.667	70	20	CFID	
c1nc(CSCc2nc(C3CC3)no2)cs1	161268499	VKKBJFANAZGPHX-UHFFFAOYSA-N	253.352	2.837	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)OC)o1	161298675	WUVYXMFDRCDGIW-YPMHNXCESA-N	281.352	2.515	70	20	CFID	
CCNC(=O)C(C)(C)CNc1ccnc2ccccc12	161374206	ALKXOHLBENCSLS-UHFFFAOYSA-N	271.364	2.809	70	20	CFID	
Cc1cc(C(=O)N2CCCC[C@H]2c2ncon2)oc1C	161402080	MUALOKRZYOEEJD-NSHDSACASA-N	275.308	2.647	70	20	CFID	
Cc1nc(COC(=O)c2ccncc2F)c(C)s1	161498714	YYWBPCBJJNZEOX-UHFFFAOYSA-N	266.297	2.651	70	20	CFID	
C[C@@H]1C[C@H](NCCOc2cccc(Cl)c2)CCN1C	160250962	IDSVQEDFPVHUIS-TZMCWYRMSA-N	282.815	2.791	70	20	CFID	
CC(C)CONC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160471527	XCPQSYFOISFHGO-CQSZACIVSA-N	294.351	2.563	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](C)[C@@H](C)C1	160531492	CZCCHXSKMWOMNU-JQWIXIFHSA-N	289.379	2.604	70	20	CFID	
c1ccc(-c2nccc(N3CCOC[C@H]3C3CC3)n2)cc1	159660238	MGWOKXBIEYVJDY-HNNXBMFYSA-N	281.359	2.759	70	20	CFID	
CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(F)c2F)C1=O	159443162	DJFISYJOFBCHET-GXFFZTMASA-N	282.334	2.625	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@H]1CCC[C@H](C)C1	160795203	JWLSDGDIUFPGND-KBPBESRZSA-N	275.458	2.710	70	20	CFID	
CSCC[C@H](C)N(C)C(=O)c1cccc2c1CCNC2	161258576	MAWKTVSWHYRMEB-LBPRGKRZSA-N	292.448	2.546	70	20	CFID	
CC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)F)cc1	191950357	LHXQMURTJICOFQ-VIFPVBQESA-N	273.329	2.720	70	20	CFID	
OC1(CNCc2cccc3cc[nH]c23)CCCCC1	218171789	BARBFKMAQPPKSY-UHFFFAOYSA-N	258.365	2.953	70	20	CFID	
CCC[C@@H](CC)NC(=O)NCCc1ccncc1C	160251745	FSDKWPBCNIDXCH-CQSZACIVSA-N	263.385	2.810	70	20	CFID	
CCc1cccc(OCc2nnc3n2CCCC3)c1	217323332	VBIWYEFGXXJSFY-UHFFFAOYSA-N	257.337	2.756	70	20	CFID	
CCNCC1CCN(C(=O)C[C@@H](CC)C(C)C)CC1	161003260	OZEAGVPNUONABV-OAHLLOKOSA-N	268.445	2.907	70	20	CFID	
Cc1ccc(S(=O)(=O)Cc2nccs2)cc1C	161145612	FCGSEGIITABLCG-UHFFFAOYSA-N	267.375	2.734	70	20	CFID	
CC1(NC(=O)NCCc2ccc(F)cc2F)CCC1	161192174	JWKRCHSXIFHXDZ-UHFFFAOYSA-N	268.307	2.749	70	20	CFID	
OC[C@H]1CC[C@@H](Nc2nc3cc(F)ccc3o2)CC1	161327709	UAOYYBBGOOKEKP-HOMQSWHASA-N	264.300	2.930	70	20	CFID	
COC(=O)[C@@H](NCCCSCC(C)C)c1cccnc1	160032330	SWWMPBQGVKUXBJ-AWEZNQCLSA-N	296.436	2.665	70	20	CFID	
CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCCCO1	160135392	RBIHFRZSCFXSLQ-AWEZNQCLSA-N	265.328	2.743	70	20	CFID	
CCC[C@@H](C)[C@H](CC)NCCN1CCC(N(C)C)CC1	160236566	IFEDJIRXNDNDDB-WBVHZDCISA-N	283.504	2.817	70	20	CFID	
CCc1nc(CN[C@@H](C)c2cccc(OC(F)F)c2)n[nH]1	160308937	VKKQBRJKWGXQNI-VIFPVBQESA-N	296.321	2.819	70	20	CFID	
C[C@@H](C(=O)Nc1ccc2c(c1)CC(=O)N2)c1cccs1	160321128	ZUCXRFQEOJEQJI-SECBINFHSA-N	286.356	2.985	70	20	CFID	
Cc1cc2c(=O)[nH]c(-c3ccc4c(c3)CCO4)nc2s1	160344474	QJKFTCNWJUNKAX-UHFFFAOYSA-N	284.340	2.895	70	20	CFID	
COCCNCc1cccc(Br)c1Cl	160397500	ZNUHRGNDKVMCQY-UHFFFAOYSA-N	278.577	2.839	70	20	CFID	
C[C@@H](C1CC1)N(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CC1	160452072	GJYGZRAPPKUMLY-PJODQICGSA-N	292.423	2.917	70	20	CFID	
CN(C[C@@H](O)C1CC1)[C@@H]1CCCc2ccc(F)cc21	160762293	QXXASVXDLIPSKO-HZPDHXFCSA-N	263.356	2.906	70	20	CFID	
CN[C@@H]1CCN(C(=O)c2oc3c(C)ccc(C)c3c2C)C1	160798775	FJQODIQIDIRTGA-CYBMUJFWSA-N	286.375	2.792	70	20	CFID	
Cc1nc2ccccn2c1CN1C[C@H](C)S[C@H](C)C1	160815133	NNZBKZKAGJBPPE-TXEJJXNPSA-N	275.421	2.969	70	20	CFID	
Cc1nc2ccccn2c1CN(C)Cc1nccs1	160925638	RWCITCKWSGAMDB-UHFFFAOYSA-N	272.377	2.731	70	20	CFID	
CCCN(Cc1nncn1C)[C@H]1CCc2ccccc2C1	160842294	HBRKTUSZRAYMOP-INIZCTEOSA-N	284.407	2.585	70	20	CFID	
CN(Cc1nc(C(F)(F)F)cs1)C[C@H]1CCC[C@@H]1O	159821508	VNCPXZLRCORYQX-BDAKNGLRSA-N	294.342	2.755	70	20	CFID	
Cc1cc(C)cc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c1	159672159	NFTCTNSIXNKPDH-CYBMUJFWSA-N	286.379	2.784	70	20	CFID	
CCO[C@H]1C[C@H](NC(=O)c2ccc(N)cc2)C12CCCC2	159551922	QLCQBHFVWAWDFK-GJZGRUSLSA-N	288.391	2.736	70	20	CFID	
CC(C)c1ccc(C(=O)N(C)[C@@H](CN)C2CC2)cc1	159859875	RSIDJMLRPBNRBC-HNNXBMFYSA-N	260.381	2.619	70	20	CFID	
CC(=O)C[C@@H](C)NC(=O)CCc1nc2ccccc2s1	159968950	TUNNEBCLGXUBNF-SNVBAGLBSA-N	290.388	2.713	70	20	CFID	
CCNc1nc(C(=O)NC[C@@]2(C)CCCS2)cs1	160510163	WRZMZJNEXAKFBU-GFCCVEGCSA-N	285.438	2.590	70	20	CFID	
CC(C)(C)c1nsc(N(CCCCO)C2CC2)n1	159821271	OLEMHOSNVITDSM-UHFFFAOYSA-N	269.414	2.577	70	20	CFID	
Cc1ncsc1CN(C)C(=O)N1CCCCCC1	160588507	OCOPEFNTSZEWKU-UHFFFAOYSA-N	267.398	2.879	70	20	CFID	
CCC(CC)(CO)CNc1ccc(C(F)(F)F)nn1	218080846	DFGHFDLXSCRUSN-UHFFFAOYSA-N	277.290	2.706	70	20	CFID	
CCOc1cccc(-c2cc(S(=O)(=O)Cl)on2)c1	521400160	CPVDWVKFPVBWAN-UHFFFAOYSA-N	287.724	2.668	70	20	CFID	
Cc1cnccc1CCNC(=O)N[C@H](C)c1cccc(O)c1	161197816	HVHJZAHYJTVQAC-CYBMUJFWSA-N	299.374	2.699	70	20	CFID	
CS[C@@H](C)CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C	161378190	HLDNGRBEEZUZJQ-DZGCQCFKSA-N	294.464	2.856	70	20	CFID	
CC[C@@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1	160137393	FLUGNNWRICZIAR-DZGCQCFKSA-N	261.365	2.866	70	20	CFID	
O=C([C@@H]1CCn2ccnc2C1)N1CCC[C@@H]1C1CCCC1	160260944	LYSPVEPXQUGGDR-HUUCEWRRSA-N	287.407	2.627	70	20	CFID	
CCc1nc(CN[C@@H](c2ccc(OC)cc2)C(C)C)n[nH]1	160281888	YDJGCDOLNVESFH-MRXNPFEDSA-N	288.395	2.863	70	20	CFID	
C[C@H](C(=O)Nc1ccc2c(c1)CC(=O)N2)c1cccs1	160320993	ZUCXRFQEOJEQJI-VIFPVBQESA-N	286.356	2.985	70	20	CFID	
Cc1cc(C[C@H](C)NC(=O)NCC2(C3CC3)CCC2)n[nH]1	160749824	BJDOCYHBZVXAGJ-NSHDSACASA-N	290.411	2.529	70	20	CFID	
CC(C)Oc1cc(CNC(=O)Nc2cccnc2)ccn1	160813821	QODVFRHQXFGTPX-UHFFFAOYSA-N	286.335	2.586	70	20	CFID	
COC(=O)c1csc(NC(=O)N[C@@H]2CCC[C@H]2C)c1	160900484	PNHYLRQGZIHDST-PSASIEDQSA-N	282.365	2.845	70	20	CFID	
CSCCNC(=O)CCCc1sccc1C	159653768	RYWFSGXFJAQOHD-UHFFFAOYSA-N	257.424	2.858	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	159656214	BSZCNBYJAYNSES-MLGOLLRUSA-N	297.358	2.816	70	20	CFID	
O=C(CCc1ccccn1)N[C@H]1CCOC2(CCCC2)C1	159866770	KXGCWKMNDWZFTC-HNNXBMFYSA-N	288.391	2.622	70	20	CFID	
C[C@H](OC1CCCCCC1)C(=O)NCC(C)(C)CN(C)C	159580768	PBEDZTFVXYPLCG-AWEZNQCLSA-N	298.471	2.818	70	20	CFID	
COc1cc(CNCc2ccc(C)o2)cc2c1OCO2	159900215	KCVFHFMMPYHHGI-UHFFFAOYSA-N	275.304	2.615	70	20	CFID	
CCCn1nccc1CNC[C@H](C)CN1CCCCC1	160109073	PLFGGPXCAKDKEN-HNNXBMFYSA-N	278.444	2.505	70	20	CFID	
CCOC[C@H](C)Nc1cncc(Br)c1	159430876	UEKWVYWGZHBVLQ-QMMMGPOBSA-N	259.147	2.681	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)N(CCN(C)C)C(C)C	161182848	GRYKUPKWOBMYOD-LBPRGKRZSA-N	295.427	2.584	70	20	CFID	
Cc1ccc2[nH]c(C(=O)N[C@H](CO)CC(C)C)cc2c1C	161236991	TUPZOCSGIQHDSC-ZDUSSCGKSA-N	288.391	2.922	70	20	CFID	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1CCNCC1	161244686	XAEZPPXQMHQEBI-IUODEOHRSA-N	290.382	2.530	70	20	CFID	
Cn1nccc1CSc1nccc(C(F)(F)F)n1	161329499	YQPMIRHFHRQJKL-UHFFFAOYSA-N	274.271	2.521	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2CCn3ccnc3C2)ccc1F	161379716	LEPFKFJUVMLDKL-LLVKDONJSA-N	273.311	2.532	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1C[C@H]2CCCC[C@H]2C1	160045777	UHHBMBXFNWJJND-OKILXGFUSA-N	296.411	2.550	70	20	CFID	
CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1	160066585	RXNJOXKLLQIAKX-ZIAGYGMSSA-N	294.439	2.576	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)C(CC)CC	160370770	DZWMRXIEIOQQCJ-UHFFFAOYSA-N	259.371	2.649	70	20	CFID	
CCC(CC)(C(=O)N1CC[C@@H](NC)C1)c1ccccc1	160588817	YDNTZLXMFZHZJT-OAHLLOKOSA-N	274.408	2.565	70	20	CFID	
COc1cccc([C@H](C)CC(=O)N[C@H]2CCC[C@H](N)C2)c1	160785175	XXUJXOIRJHQAMO-SNPRPXQTSA-N	290.407	2.575	70	20	CFID	
CCN(CC)[C@@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1	160824690	LHSXUSYXTYTXBS-GOEBONIOSA-N	289.423	2.518	70	20	CFID	
CCCC1(CNC(=O)Nc2ccn(CCCOC)n2)CC1	160964033	BGYSGQGVOCAPTQ-UHFFFAOYSA-N	294.399	2.621	70	20	CFID	
Cc1cc(NC(=O)CC(C)(C)c2ccccc2)c[nH]c1=O	159644180	PQLYEVZBSGMZFQ-UHFFFAOYSA-N	284.359	2.990	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCO1	159874483	UNRQPDIEJXSUGN-RAIGVLPGSA-N	295.329	2.706	70	20	CFID	
Cn1c(SCCc2ccncc2)nnc1-c1ccccn1	159533762	BQRRLOCQVTWHEW-UHFFFAOYSA-N	297.387	2.607	70	20	CFID	
C[C@@H]1CCCC[C@H]1OCCCCS(=O)(=O)Cl	114257697	IXJQWKGHNVQZKK-GHMZBOCLSA-N	268.806	2.931	70	20	CFID	
COC(=O)c1cc(C)ccc1OCc1nccs1	161323553	VLCHCWZMVNRCNI-UHFFFAOYSA-N	263.318	2.817	70	20	CFID	
CC(C)(C)c1ccc2c(c1)CCN2CCS(=O)(=O)F	883954450	NZVALODHWFPEOT-UHFFFAOYSA-N	285.384	2.646	70	20	CFID	
Cc1cc(Cl)cc(C(=O)NC[C@H]2CCC[C@@H](O)C2)c1	217831111	YKIHIVJIJYRZEU-SMDDNHRTSA-N	281.783	2.929	70	20	CFID	
Cc1ccc(OC[C@@H](C)CS(=O)(=O)Cl)cc1	108304649	VMPRVGFKINYYOC-SNVBAGLBSA-N	262.758	2.579	70	20	CFID	
CCCCn1ncc(Nc2nccc(OC)n2)c1C	161116152	AMLKAXRFHXEKRY-UHFFFAOYSA-N	261.329	2.534	70	20	CFID	
O=C(CCOc1ccc(F)cc1)NCC1(C2CC2)CC1	160223111	POUNIFRVUKWHGG-UHFFFAOYSA-N	277.339	2.901	70	20	CFID	
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccco1	160223239	XKPGSONTIPYUOF-VHSXEESVSA-N	262.275	2.567	70	20	CFID	
Cc1ccccc1[C@@H](C)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	160615100	QRPMCSOGPJSJLG-HRCADAONSA-N	286.419	2.842	70	20	CFID	
Cc1ccc(C)c([C@H](C)NCCNC(=O)c2ccco2)c1	160712351	SYVZSYZYCGUMBI-AWEZNQCLSA-N	286.375	2.977	70	20	CFID	
CC(C)NCCC(=O)Nc1ccc2c(c1)C(=O)CCC2	159602415	AHNXGFFLLBLOEY-UHFFFAOYSA-N	274.364	2.532	70	20	CFID	
CCC1(CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1	159485412	YWBXCKZJLMUCQL-CYBMUJFWSA-N	290.411	2.629	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)CC2CCCCCC2)C1	160890260	QQEUOVGZPVHXNS-UONOGXRCSA-N	252.402	2.733	70	20	CFID	
Cc1ccc(OS(=O)(=O)C[C@H]2CCCCO2)cc1C	217072750	VAIWCTWTQVTKBG-CQSZACIVSA-N	284.377	2.581	70	20	CFID	
COC(CN(C)CC(C)(C)c1ccc(C)cc1)OC	161275301	UZQVGYLIJJKPGW-UHFFFAOYSA-N	265.397	2.823	70	20	CFID	
CC1=C(C(=O)NCc2ccccc2OC(F)F)CCCO1	161299524	MFUOCBPOEDMRKM-UHFFFAOYSA-N	297.301	2.989	70	20	CFID	
CN1CCN(CCCN2CCCCC2)C2(CCCCC2)C1	161397798	AEAHFIGJGJTCGQ-UHFFFAOYSA-N	293.499	2.813	70	20	CFID	
C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ccco1	160198694	JUNQQDFPKUFGIV-LBPRGKRZSA-N	288.347	2.828	70	20	CFID	
CS[C@H](C)CNC(=O)Nc1cc(NC(C)=O)ccc1C	160374168	LAFXBPXHZIBVQS-SNVBAGLBSA-N	295.408	2.826	70	20	CFID	
CCCCN(CCCC)C(=O)C(=O)Nc1ccc(C)nc1	160457800	WZLHMHYNSNSCBO-UHFFFAOYSA-N	291.395	2.757	70	20	CFID	
CCc1ccc(CC(=O)N[C@H]2COc3ccccc3C2)cc1	160515121	COPZBWQBRYLHIH-QGZVFWFLSA-N	295.382	2.911	70	20	CFID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N(C)C(C)C	160940848	ZMKOFRFUIAPQCX-CQSZACIVSA-N	269.433	2.547	70	20	CFID	
COc1cccc(CC(=O)N2CCc3c(F)cccc3C2)c1	160941438	NMHKZCMDRURZTC-UHFFFAOYSA-N	299.345	2.962	70	20	CFID	
Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)cc1C	159632327	LCJHJZZGGFTTRK-CYBMUJFWSA-N	286.379	2.784	70	20	CFID	
CNC(=O)c1ccc(CSc2ccncc2)cc1	159876899	PKEXHFMSCAOUFX-UHFFFAOYSA-N	258.346	2.734	70	20	CFID	
CCN1CC[C@H]2CC[C@@H](C1)N2c1nc(C(C)(C)C)ns1	159883805	GPICYCUGNNRCJM-NEPJUHHUSA-N	294.468	2.899	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](CO)CC(C)C)c1C	159961867	WAOISBVLBORZDW-ZDUSSCGKSA-N	296.415	2.520	70	20	CFID	
CCCn1nccc1CNC[C@H](c1cccs1)N(C)C	159987289	KICGSUQXGOEJSE-CQSZACIVSA-N	292.452	2.747	70	20	CFID	
CCCn1nccc1CNc1ccc2c(c1)OCO2	159972138	MALKCJYQTQEPMD-UHFFFAOYSA-N	259.309	2.634	70	20	CFID	
CCCCNC(=O)c1snc(Cl)c1Cl	216667546	VZVMGGKDPUZUNR-UHFFFAOYSA-N	253.154	2.980	70	20	CFID	
Cc1cccc([C@H](O)Cn2cnc3c2CCCC3)c1	216906861	VYKNXPJRLPBJSJ-MRXNPFEDSA-N	256.349	2.804	70	20	CFID	
O=S(=O)(Cl)c1ccc(OCc2ccccc2)nc1	128792607	GCVXGJULOOCYGE-UHFFFAOYSA-N	283.736	2.588	70	20	CFID	
O=S(=O)(Cl)Cc1ccc(N2CCCCC2)cc1	258458880	JYVODJJWQQXLNJ-UHFFFAOYSA-N	273.785	2.746	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(N)=O)s1	161267038	RUVPOYNMJJTNDD-GHMZBOCLSA-N	294.420	2.888	70	20	CFID	
CCOCCC1(CNC(=O)N2C[C@H]3CCC[C@H]3C2)CC1	161501840	GBXQSJNWWMFBNI-OKILXGFUSA-N	280.412	2.635	70	20	CFID	
CC[C@@H](N[C@@H](CCO)CSC)c1ccccc1OC	160375267	JRBRVYYUXKVODF-GXTWGEPZSA-N	283.437	2.850	70	20	CFID	
O=C(CCC1CCCC1)CSc1ncnc2[nH]cnc12	160411685	OOOAZZRRPJVORB-UHFFFAOYSA-N	290.392	2.985	70	20	CFID	
COC(C)(C)C[C@@H](C)NC(=O)C[C@H](C)c1ccncc1	160846125	MOLFVCMEAKMLGP-QWHCGFSZSA-N	278.396	2.895	70	20	CFID	
COC[C@H]1CCCN1C(=O)Nc1ccn(CCC(C)C)n1	160972482	ORRPNCWDEJTLET-CYBMUJFWSA-N	294.399	2.572	70	20	CFID	
COc1cc(C)nc(N[C@H]2CCCc3cc(N)ccc32)n1	159503761	NJKQLGYIUKRSAV-AWEZNQCLSA-N	284.363	2.865	70	20	CFID	
C[C@@H](Cc1ccc(O)cc1)NC(=O)NC1(C)CCC1	159916411	CVDAOPFCDVOBHO-NSHDSACASA-N	262.353	2.565	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CCCc2occc21	159741780	UIBJKZHPCJUVLZ-ZKYQVNSYSA-N	275.348	2.779	70	20	CFID	
CC(=O)Nc1cc(N[C@H](C)CCn2cccn2)ccc1F	159366185	GYVMTENMKBRPSO-LLVKDONJSA-N	290.342	2.871	70	20	CFID	
COC(CN(C)Cc1cccc(C(F)(F)F)c1)OC	160614447	LAUDWWXLKPZLDI-UHFFFAOYSA-N	277.286	2.756	70	20	CFID	
CC[C@H](C)[C@@H](C)NCc1ccccc1CS(C)(=O)=O	160929158	KKKZPGDBPQWLEA-QWHCGFSZSA-N	283.437	2.755	70	20	CFID	
Nc1nc(NCc2cccc3ccccc23)c2[nH]cnc2n1	217661535	TUHMPGUGZHKJNU-UHFFFAOYSA-N	290.330	2.700	70	20	CFID	
CCc1ccsc1C(=O)NCC1(N)CCCCC1	159758600	MIQCYTYXUQXKEJ-UHFFFAOYSA-N	266.410	2.702	70	20	CFID	
Cc1cccc([C@H](C)NCCCNC(=O)C(C)C)c1	159979723	QNDCESWFJDIUII-AWEZNQCLSA-N	262.397	2.808	70	20	CFID	
CN(C(=O)NCCc1cscn1)C1CCCCC1	159392658	VOKMPANCYYADKF-UHFFFAOYSA-N	267.398	2.660	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cncc(F)c1	161057165	RFBUODKTPWXJJE-AWEZNQCLSA-N	292.354	2.832	70	20	CFID	
Cc1ccc(SCC(F)(F)F)c(NC(=O)CCN)c1	161132094	VQLAIQJGQIZRLF-UHFFFAOYSA-N	292.326	2.937	70	20	CFID	
CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1CNC	161238830	ADIOPAGAZJGAAN-KGLIPLIRSA-N	254.418	2.803	70	20	CFID	
CC(=O)NC1CCC(N[C@@H]2CCCc3occc32)CC1	161277119	VOCKGSIZDOMQGA-SSDMNJCBSA-N	276.380	2.694	70	20	CFID	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CCCCO1	160359235	DVBBBMDLPGHUGG-OAHLLOKOSA-N	299.374	2.997	70	20	CFID	
CCC[C@@H](C(=O)NCCCN1CCCCCC1=O)C(C)C	160536583	OUVGSMZOMFBPNL-OAHLLOKOSA-N	296.455	2.968	70	20	CFID	
C[C@H](c1ccc(F)cc1F)N(C)C[C@H](O)C1CC1	160868443	FSTUZWGBKGMRJY-OTYXRUKQSA-N	255.308	2.729	70	20	CFID	
COc1ccc(C(C)(C)C(=O)N[C@H](C)[C@H]2CCOC2)cc1	160961387	ORNBVTDSBRQZFX-OLZOCXBDSA-N	291.391	2.514	70	20	CFID	
CCc1nc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)co1	159821472	KIDCVOAABXPJHH-HBNTYKKESA-N	250.342	2.792	70	20	CFID	
CCOCCC1(CNC(=O)c2cccnc2C)CCC1	159677273	ZEGYTTWOCWNCOW-UHFFFAOYSA-N	276.380	2.717	70	20	CFID	
Cc1cccc([C@H](NC(=O)c2ccon2)c2ccccn2)c1	159788303	VWUCOMFHMKFKEZ-INIZCTEOSA-N	293.326	2.897	70	20	CFID	
CN(C)C[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1	160366145	SNHDMSOYECPJNN-JTQLQIEISA-N	284.762	2.503	70	20	CFID	
C[C@H](CC(F)F)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460095164	RJSMMOSCRZOLRS-SSDOTTSWSA-N	295.282	2.575	70	20	CFID	
Cc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)F	857676541	QNRXFBMDAMTOLU-UHFFFAOYSA-N	285.340	2.782	70	20	CFID	
CS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](C)C2)C1	218003249	DWFBVAAPQLRUMR-IJLUTSLNSA-N	256.415	2.712	70	20	CFID	
C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1337519982	LYSQQDQGASIETA-MNOVXSKESA-N	299.367	2.605	70	20	CFID	
COc1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)cc1N	161396277	HYPBJJFGWNWDSX-RISCZKNCSA-N	292.379	2.811	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NC1CCC(NC(C)=O)CC1	161421593	LDEYWDGHBRYSOG-LBDPXKHJSA-N	266.429	2.992	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1cccnc1	161494709	HAPIOEQMGJLBPN-JTQLQIEISA-N	293.754	2.794	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1cccnc1	161494831	HAPIOEQMGJLBPN-SNVBAGLBSA-N	293.754	2.794	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)c1cc[nH]c1C	160069146	HDVASHWHFPYXJJ-CQSZACIVSA-N	270.332	2.749	70	20	CFID	
C[C@H](Cc1ccccc1F)C(=O)NCCCC(C)(C)CO	160363167	JGHVRIBEYFCFPD-CYBMUJFWSA-N	295.398	2.919	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cccc(F)c1F	160511216	NQSJMSFXXZVGKS-GFCCVEGCSA-N	296.361	2.815	70	20	CFID	
NC(=O)c1cnccc1N[C@H]1CCO[C@H](c2ccccc2)C1	160550370	NJBHLVLQAGHWIN-BBRMVZONSA-N	297.358	2.513	70	20	CFID	
CCN(CC)[C@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1	160824822	LHSXUSYXTYTXBS-HOCLYGCPSA-N	289.423	2.518	70	20	CFID	
CCOCCNC(=O)c1cc(C)ccc1N(C)C(C)C	160902856	MYIMZSMWVZEJNP-UHFFFAOYSA-N	278.396	2.606	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)N(C)[C@@H]2CCSC2)c1	159818331	XQWMSEOWNNKZBJ-CYBMUJFWSA-N	293.392	2.614	70	20	CFID	
O=C(c1ccc2c(c1)CCC2)N1CCC(NCC2CC2)CC1	159872708	XMCLMMVFEFUUDD-UHFFFAOYSA-N	298.430	2.780	70	20	CFID	
Cc1cc(NC(=O)c2cccc(Cl)c2F)c[nH]c1=O	159489152	PBSOHUZJBOPXGI-UHFFFAOYSA-N	280.686	2.728	70	20	CFID	
COC[C@H](NC[C@H](C)N1CCc2ccccc21)C(C)C	159931897	WVFFZWWFFHBMQC-HOCLYGCPSA-N	276.424	2.698	70	20	CFID	
CCCC[C@@H](COC)NCCc1ccc2c(c1)OCO2	161134812	NOZGLUHYGVYEMQ-AWEZNQCLSA-N	279.380	2.753	70	20	CFID	
CCC(CC)(C(=O)N[C@@H]1CCC[C@H]1O)c1ccccc1	161158236	DFEVIHDAJYIDQO-HUUCEWRRSA-N	275.392	2.774	70	20	CFID	
CCc1ncc(NC(=O)Nc2ccc(C)cc2)cn1	161191176	HXGSCITTYBHANJ-UHFFFAOYSA-N	256.309	2.991	70	20	CFID	
CCCCOc1ncccc1CNC(=O)CO[C@H](C)CC	161314377	RFILJLWUFNRRCG-CYBMUJFWSA-N	294.395	2.692	70	20	CFID	
CC[C@H](Cc1ccccc1)N(CC)C(=O)C[C@@H]1CCCN1	161436881	ZKLBCSDNXTVLGI-DLBZAZTESA-N	288.435	2.998	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccncc1O	161503534	GNQGLOXFTJSEOJ-ZJUUUORDSA-N	274.345	2.899	70	20	CFID	
COCCN(CC(F)(F)F)C(=O)c1cc(C)c(C)o1	160046260	BNAOHHBYPYTJEP-UHFFFAOYSA-N	279.258	2.547	70	20	CFID	
NC[C@@H]1CCCN1C(=O)/C=C/c1c(Cl)cccc1Cl	160222921	GXXKRSKJYZOMEO-FGEFZZPRSA-N	299.201	2.956	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cccc(OC(F)F)c1	160351348	BNCKHDDISWAEKR-UHFFFAOYSA-N	294.301	2.899	70	20	CFID	
C[C@@H]1CCC[C@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160480956	KUSUOJJWPDZEMX-RKDXNWHRSA-N	290.289	2.756	70	20	CFID	
CCCC1(CNC(=O)CCOCC(F)(F)F)CC1	160513982	UTONGBVYURXQKP-UHFFFAOYSA-N	267.291	2.652	70	20	CFID	
O=S(=O)(CCN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	160548365	NKDBVXJTZHHRJV-HOCLYGCPSA-N	293.432	2.725	70	20	CFID	
CC(C)[C@@H]1CN(Cc2cnc3ccccn23)CCS1	160878269	MESRONZPXOUOJJ-AWEZNQCLSA-N	275.421	2.908	70	20	CFID	
C[C@H](CCC1CCCCC1)NC(=O)[C@@H]1CCCN1	160915493	FZYPVJBEYIUPSN-OCCSQVGLSA-N	252.402	2.604	70	20	CFID	
Cc1nccc(N(CCN(C)C)CC2CCCCC2)n1	160936672	LQTHZFXWXDIJTG-UHFFFAOYSA-N	276.428	2.733	70	20	CFID	
COc1ccc(N(C)C(=O)c2cscn2)cc1F	159611059	ZGKMPNVIKSOEMK-UHFFFAOYSA-N	266.297	2.567	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CN(C)C(=O)OC(C)(C)C	159840899	JZSKHBXTGHCRLN-VXGBXAGGSA-N	284.400	2.548	70	20	CFID	
CC[C@H](NC[C@@H](C)N1CCc2ccccc21)[C@@H]1CCOC1	159932023	JQARSRYYFURQFO-OIISXLGYSA-N	288.435	2.842	70	20	CFID	
Cc1noc(Cl)c1CC(=O)Nc1ccc2[nH]ncc2c1	159547675	JGWMXTVCMICWSB-UHFFFAOYSA-N	290.710	2.694	70	20	CFID	
CC[C@@H]1COCCN1C[C@@H](O)c1cc2ccccc2o1	216936408	MOFMTFWRMRDQSU-ZIAGYGMSSA-N	275.348	2.577	70	20	CFID	
CC[C@@H](C)CCNC(=O)c1cccc(S(=O)(=O)F)c1	1517955956	KYIULZIVHACTJJ-SNVBAGLBSA-N	287.356	2.511	70	20	CFID	
CC(C)CNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161045930	PUSGBOCCPGMGLW-SOUVJXGZSA-N	258.365	2.670	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(OC)nn1	161077908	LOWHFAZPXVUGGR-YPMHNXCESA-N	277.368	2.526	70	20	CFID	
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1CCCNC1	161097802	RHFUAWCNLNCULX-HWWQOWPSSA-N	290.382	2.565	70	20	CFID	
Cc1nc2ccccc2cc1C(=O)N[C@@H](CO)CC(C)C	161180879	RVILMGRPGFULBL-CQSZACIVSA-N	286.375	2.680	70	20	CFID	
C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1cnn(C)c1	161361206	MYVJZVIYPJVROM-GFCCVEGCSA-N	273.355	2.942	70	20	CFID	
CC[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161361558	HGUSGQMIXKEQEG-NEPJUHHUSA-N	284.400	2.548	70	20	CFID	
COC(=O)Nc1ccccc1OCc1nccs1	161384477	WJPHNASVDHWIRD-UHFFFAOYSA-N	264.306	2.900	70	20	CFID	
CCCN(CCC)C(=O)Cn1ccnc1[C@@H](C)OCC	161473372	XBGAVTXKVLKCCH-CYBMUJFWSA-N	281.400	2.629	70	20	CFID	
CCSCc1cccc(NC(=O)[C@@H]2CCCNC2)c1	161481059	VNVCSXKHRYJHBI-CYBMUJFWSA-N	278.421	2.878	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC[C@@H]1C[C@@H]2C=C[C@H]1C2	160008160	IABQCSOQTOJTIW-DYEKYZERSA-N	256.349	2.718	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H](C)c1cnn(C(C)C)c1	160142203	NTFFRXQFZYPFPT-KBPBESRZSA-N	266.433	2.845	70	20	CFID	
CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCO1	160352943	XFQXVTZMTNNEEW-NWDGAFQWSA-N	295.329	2.706	70	20	CFID	
CC[C@H](NC(=O)c1cccnc1C)c1c(C)noc1C	160413205	PSUAFXJUPNESEL-ZDUSSCGKSA-N	273.336	2.876	70	20	CFID	
COCCN(Cc1ccccc1)Cc1c(C)n[nH]c1C	160454751	HURAKMNMEJGYRR-UHFFFAOYSA-N	273.380	2.675	70	20	CFID	
Cc1nc2ccccn2c1CN1CCS[C@H](C)[C@@H]1C	160501768	GGZKXPZOXLXOPQ-QWHCGFSZSA-N	275.421	2.969	70	20	CFID	
Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc[nH]c(=O)c2)c1	160669097	NTOSKEXQUMUFDB-MRXNPFEDSA-N	296.370	2.969	70	20	CFID	
Cc1[nH]c(SCc2nncn2C)nc1Cc1ccccc1	160935366	HGOAZNZKXQOHOK-UHFFFAOYSA-N	299.403	2.730	70	20	CFID	
COc1cc(Cl)c(C(=O)Nc2nocc2C)cc1OC	160951486	OXHNLYIHLLPZFJ-UHFFFAOYSA-N	296.710	2.906	70	20	CFID	
Cc1cccc(-n2ccnc2SCc2nncn2C)c1C	160992882	DJCBDFZNGCSIFJ-UHFFFAOYSA-N	299.403	2.910	70	20	CFID	
O=C(Nc1cc(F)ccc1OC(F)F)C1CCOCC1	159392468	XZEDFGUVEGSIRQ-UHFFFAOYSA-N	289.253	2.792	70	20	CFID	
CCN(CC)C[C@@H](C)NCc1cccc2c1NCCC2	159402794	LXZCQMIILXCEQA-CQSZACIVSA-N	275.440	2.865	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)C[C@H]1CCC[C@@H]1O	159562851	LTGYXKZHSMAOAI-DOMZBBRYSA-N	283.799	2.812	70	20	CFID	
CCCCN(C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1	160758517	UCUOUQZMFDNOCQ-HUUCEWRRSA-N	285.453	2.632	70	20	CFID	
CCC[C@H](C)NC(=O)[C@H](C)N(CC)Cc1ccccn1	161080963	KMINYZHSDWPGEN-KBPBESRZSA-N	277.412	2.597	70	20	CFID	
COC[C@H](C)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C	161264016	NLIKNXJEMUFBLL-QWHCGFSZSA-N	288.432	2.550	70	20	CFID	
O=C(Oc1ccccc1F)c1ccc(S(=O)(=O)F)cc1	865205705	JRFPGJHKEJDOBZ-UHFFFAOYSA-N	298.266	2.703	70	20	CFID	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CCNCC1	217821555	GYTVFSDEKLXHHG-YUELXQCFSA-N	266.429	2.563	70	20	CFID	
CSC[C@@](C)(O)CNCc1ccccc1C(F)(F)F	217867403	GIBOFKJKCZJCRQ-LBPRGKRZSA-N	293.354	2.909	70	20	CFID	
CCCN(CCc1cccc(F)c1)CC(OC)OC	161110637	MMYFIHIIXMBQQN-UHFFFAOYSA-N	269.360	2.699	70	20	CFID	
CCNC(=O)C(C)(C)CNc1ccnc2cc(F)ccc12	161329009	STNOQQYSTZWSFZ-UHFFFAOYSA-N	289.354	2.948	70	20	CFID	
CCOCCC(=O)N1CCc2c(Cl)cccc21	161491886	XYAUOXAILDYYPR-UHFFFAOYSA-N	253.729	2.656	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)CC(C)C	160002562	PDZYQQABFUIARZ-VIFPVBQESA-N	271.792	2.800	70	20	CFID	
COC(=O)c1cccc(NC(=O)NCC2(C3CC3)CC2)c1	160014737	RRNCCKZOVRBQNO-UHFFFAOYSA-N	288.347	2.785	70	20	CFID	
O=C(Cc1ccc(F)c(F)c1)NCC1(C2CC2)CC1	160103544	XUKTZNRGEMNZRI-UHFFFAOYSA-N	265.303	2.814	70	20	CFID	
CCc1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1	160210226	DVSSHQDDIZWJHR-UHFFFAOYSA-N	279.405	2.718	70	20	CFID	
CC(C)c1ccc(C(=O)NC[C@]2(C)CCCC[C@H]2O)cn1	160221984	ZINATKPQJCWQQI-WBVHZDCISA-N	290.407	2.876	70	20	CFID	
CC[C@@H](CN[C@H](COC)C1CC1)Oc1ccccc1F	160342437	ZCGSHYWUJKXKFZ-DZGCQCFKSA-N	281.371	2.998	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NC[C@@H](C1CCCCC1)N(C)C	160402080	ZAYRNOFDPJYZBX-LMSBXDPUSA-N	295.515	2.815	70	20	CFID	
CC1(C)C[C@H](Nc2cc(N3CCCCC3)ncn2)CCO1	160646439	WHNAVKGYJCNQTA-CYBMUJFWSA-N	290.411	2.836	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C(CC)CC)no1	160764096	TYJZPQNAPOKQRS-JTQLQIEISA-N	296.367	2.650	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)[C@@H]1CCCOC1	159842716	MXGNRRAKSNBQSR-PWSUYJOCSA-N	265.378	2.668	70	20	CFID	
CC[C@H](C)CN(C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C	159657910	JDFABBGKHSKPDH-VIFPVBQESA-N	280.368	2.536	70	20	CFID	
Cc1nc2cc(N[C@@H](C)CCn3cccn3)ccc2n1C	159473489	VPITXZIDEAAARC-LBPRGKRZSA-N	283.379	2.969	70	20	CFID	
CCC(C)(CC)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	159493034	IMQGRQCGMNNGPX-OLZOCXBDSA-N	253.386	2.887	70	20	CFID	
CCN(CC)Cc1ccccc1CNC(=O)C1(C)CC1	159727681	DSORGXQNLHJDDS-UHFFFAOYSA-N	274.408	2.945	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)N(C)CC1CCOCC1	159926797	MORGBDWIBCFGTR-ZIAGYGMSSA-N	268.401	2.633	70	20	CFID	
COc1cccc(CCNCc2cn3ccccc3n2)c1	218209795	WDRIRXVUXQDMNS-UHFFFAOYSA-N	281.359	2.675	70	20	CFID	
CCC(CC)OC(=O)CC1CN(C(=O)OC(C)(C)C)C1	159873071	SNHRJFZMPVTORE-UHFFFAOYSA-N	285.384	2.975	70	20	CFID	
CC(C)OC(=O)c1ccn(CCC2CCCC2)c(=O)c1	161039640	HCYCDQHAUMUGEY-UHFFFAOYSA-N	277.364	2.994	70	20	CFID	
CC[C@H](SC)C(=O)N1CCc2c(F)cccc2C1	161040849	RDTZCBVSHCZWFE-ZDUSSCGKSA-N	267.369	2.852	70	20	CFID	
CC1(C)CN(Cc2cnc3ccccn23)CCS1	161309706	YJIKYJWTQJYXJI-UHFFFAOYSA-N	261.394	2.662	70	20	CFID	
CC(C)C[C@H]1CCCN(C(=O)C2(CN)CCCC2)C1	161472606	RIKMEKDNALUSJV-CQSZACIVSA-N	266.429	2.790	70	20	CFID	
C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(CN(C)C)cc1	161489324	UWBYGHBJCOMFFS-AWEZNQCLSA-N	297.402	2.976	70	20	CFID	
COC[C@H](NC(=O)Nc1ccc(F)c(C)c1)C1CC1	160044991	YHCCKYTYYWUSLO-ZDUSSCGKSA-N	266.316	2.681	70	20	CFID	
Cc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)[nH]n1	160082964	VVQNOLZQIDVTKI-UWVGGRQHSA-N	261.350	2.830	70	20	CFID	
CC(C)OCCCNC(=O)c1cc(F)cc(Cl)c1O	160330333	DEXJSVNRYXETLU-UHFFFAOYSA-N	289.734	2.730	70	20	CFID	
CC[C@H](C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160424294	KPNLBAOHOUCUDY-SMDDNHRTSA-N	278.352	2.774	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCc2c(C)nn(C)c2C)o1	160581091	WOZFMJNDCLDOIR-CMDGGOBGSA-N	287.363	2.522	70	20	CFID	
CCCCN(C)S(=O)(=O)N1CCC2(CCCC2)CC1	160603343	MJEPYMIWKUOUFL-UHFFFAOYSA-N	288.457	2.619	70	20	CFID	
C[C@@H](NCC(C)(C)O)c1ccc(F)cc1OC(F)F	160650779	GOVPIJSXJWAQOC-MRVPVSSYSA-N	277.286	2.849	70	20	CFID	
CCCCN(Cc1ccccc1F)Cc1nncn1C	160872364	ZQZRBWNGIIOOMY-UHFFFAOYSA-N	276.359	2.757	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NC(=O)N1CCCN(CC)CC1	159683884	AZYBOBZZGIEEOF-GJZGRUSLSA-N	281.444	2.692	70	20	CFID	
CCN1CCCN(C(=O)NCc2cccc(Cl)c2)CC1	159510907	ZCAYILLGUWKAOU-UHFFFAOYSA-N	295.814	2.577	70	20	CFID	
CCCCC[C@@H](C)NC(=O)N1CCCN(CC)CC1	159512468	GWJUHVBWXRJAEY-CQSZACIVSA-N	269.433	2.692	70	20	CFID	
C[C@H]1CCN(S(=O)(=O)c2cccs2)C[C@H](C)C1	159721975	HMKRQWJOPWLSJJ-WDEREUQCSA-N	273.423	2.805	70	20	CFID	
CC[C@@H]1CCCN(C(=O)c2ccnc(-n3cccn3)c2)C1	159722583	BTHSKYKOONVKRB-CYBMUJFWSA-N	284.363	2.530	70	20	CFID	
Cc1nc(NC(=O)[C@H]2CC=CCC2)cc(C2CC2)n1	159924228	LPPFMIIBPJQXEM-LBPRGKRZSA-N	257.337	2.957	70	20	CFID	
CCC(C)(CC)C(=O)N(C)CC(C)(C)CN1CCOCC1	159363202	RJSGZVFDBXUPBV-UHFFFAOYSA-N	298.471	2.630	70	20	CFID	
CC(C)c1nc(CN(C)C[C@@H]2CCC[C@@H]2O)cs1	159482042	YYFQFTFWIWBFNJ-AAEUAGOBSA-N	268.426	2.859	70	20	CFID	
CC[C@H](CCO)NC(=O)c1cc(C(F)(F)F)ccc1F	160058243	LOLPSGFPLSNGRX-SECBINFHSA-N	293.260	2.735	70	20	CFID	
CCCn1nccc1CNCCc1cc(F)cc(F)c1	160136735	FXHNNBNMANNLGT-UHFFFAOYSA-N	279.334	2.904	70	20	CFID	
Cc1cccc(C(=O)N2CCN(CC(C)C)CC2)c1F	161419239	RGWMSDZHNVKVCD-UHFFFAOYSA-N	278.371	2.548	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cccc2cc[nH]c12	218184699	URWIUSCOULPDRB-CYBMUJFWSA-N	259.397	2.988	70	20	CFID	
COC[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C	161043631	YAUZIIIYKIHCEK-BLLLJJGKSA-N	279.380	2.779	70	20	CFID	
O=C(NOCc1ccccc1)c1ccc(C(F)(F)F)cn1	161099246	MBJRNBPXTAPVCU-UHFFFAOYSA-N	296.248	2.962	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1ccccn1	161467387	LZACHVHMMFPNJW-JTQLQIEISA-N	293.754	2.794	70	20	CFID	
CS[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C)o1	161500962	DAOWLBOTXGCKCV-ZDUSSCGKSA-N	298.452	2.620	70	20	CFID	
CCCCCNC(=O)COc1ccc2[nH]ccc2c1	160076811	DHYXECOUZNYIHW-UHFFFAOYSA-N	260.337	2.853	70	20	CFID	
CC1(NC(=O)NCc2ccc(OCC3CC3)nc2)CCC1	160367529	PRVNMGKMIUKSBG-UHFFFAOYSA-N	289.379	2.612	70	20	CFID	
Cc1nc(Cl)cc(N2CCC[C@H]2CN2CCCCC2)n1	160445422	UZQYBOSOJDCOBF-ZDUSSCGKSA-N	294.830	2.893	70	20	CFID	
CN[C@H]1CCN(C(=O)CCc2ccc3ccccc3c2)C1	160755532	WMQHYFWGGXMGRP-KRWDZBQOSA-N	282.387	2.593	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N1CCc2cc(C(=O)OC)ccc21	160768035	TYUHXALXZQJYPZ-SUMWQHHRSA-N	287.359	2.799	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccco2)n1	160895088	JTYHWFPMOPJKHF-UHFFFAOYSA-N	282.303	2.879	70	20	CFID	
O=C(CC[C@H]1CCOC1)N[C@@H]1CCOC2(CCCCC2)C1	160934332	YVROJERHMKTFBL-LSDHHAIUSA-N	295.423	2.801	70	20	CFID	
Cc1ccccc1[C@H](NC(=O)CN)[C@H]1CCC[C@H](C)C1	159687209	MUNNBBIPPSJSMX-RVSPLBMKSA-N	274.408	2.937	70	20	CFID	
COCCCCC(=O)N(C)c1ccc(OC)c(F)c1	159365526	GWMYQTQTOUJZLM-UHFFFAOYSA-N	269.316	2.614	70	20	CFID	
CCCn1nccc1CNCCCN1CCCC[C@H]1C	159962150	HINSGKPYCSMEJV-OAHLLOKOSA-N	278.444	2.647	70	20	CFID	
Cc1ccc(SCC(=O)NCC2(CO)CCCC2)cc1	160304736	QLEIGYKSUGKUTO-UHFFFAOYSA-N	293.432	2.756	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H](C)SC	159991745	VMXHNGRUWPEDBQ-BXKDBHETSA-N	265.378	2.550	70	20	CFID	
C[C@@H]1Sc2ccccc2N(CCS(=O)(=O)F)[C@@H]1C	883954771	YWMAWKKCHGVWEQ-ZJUUUORDSA-N	289.397	2.675	70	20	CFID	
Cc1cc(NC[C@H]2CCC[C@H](C)C2)n2ncnc2n1	217926930	FSMXPMXTTOQLHC-JQWIXIFHSA-N	259.357	2.671	70	20	CFID	
C[C@@H]1CCC[C@H](CNC(=O)c2ccc(O)cc2O)C1	218211265	YQAVIKUMKFKSCW-MNOVXSKESA-N	263.337	2.654	70	20	CFID	
Cn1nccc1CSc1ccc2c(c1)OCCCO2	161193086	ZBZUCTLOUOTKEW-UHFFFAOYSA-N	276.361	2.874	70	20	CFID	
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@H](C)N)cc1	161233960	AURGJYPCEQUJAM-VNHYZAJKSA-N	260.381	2.642	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CCSC2)o1	161402153	FOCQAKITNMLKLT-XUIVZRPNSA-N	265.378	2.819	70	20	CFID	
C[C@H]1CCN(C(=O)NCc2ccc(O)cc2)C[C@H]1C	160129377	AIHDRVLMPDAAQT-NWDGAFQWSA-N	262.353	2.580	70	20	CFID	
CCCCN(CCCO)c1nc(C(C)(C)C)ns1	160273716	YJDGXVXKVISXPZ-UHFFFAOYSA-N	271.430	2.825	70	20	CFID	
CO[C@]1(C)C[C@H](NCc2ccccc2NC(C)=O)C1(C)C	160511777	CODOOPPEMDYLKN-DOTOQJQBSA-N	290.407	2.938	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)CC1CCCC1	160709177	KRPOHBAIIXDYCK-RYUDHWBXSA-N	269.385	2.661	70	20	CFID	
CCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@@H](C)C(C)C	160758125	MPMATAHIOSAYOW-DZGCQCFKSA-N	281.444	2.547	70	20	CFID	
Cc1c(CN[C@H]2CCCOc3ccc(F)cc32)cnn1C	160790303	TUBDFZHOJBINSN-HNNXBMFYSA-N	289.354	2.871	70	20	CFID	
CCCCS[C@H](C)C(=O)N(C)Cc1cccn1C	160982929	NRANKRKEUWAUPG-GFCCVEGCSA-N	268.426	2.905	70	20	CFID	
Cc1cc(C(=O)N2CCN(C)c3ccccc32)oc1C	159878277	ZLHXGDOZFIDFFG-UHFFFAOYSA-N	270.332	2.993	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)C2CC2)c1C	159685515	YTHJUNSFRSAFEW-UHFFFAOYSA-N	250.346	2.618	70	20	CFID	
CCOc1ccccc1CSCCN1CCOCC1	159966554	GNPHHWZMVUOVBM-UHFFFAOYSA-N	281.421	2.651	70	20	CFID	
COC(=O)c1ccc(CN[C@H]2CCOC(C)(C)C2)cc1	159985922	UGHJHQQIUBPLJR-AWEZNQCLSA-N	277.364	2.520	70	20	CFID	
C[C@H](NCC1(CO)CCCC1)c1ccc2c(c1)OCO2	160094761	QNTRAIVHHNGAOR-LBPRGKRZSA-N	277.364	2.619	70	20	CFID	
CCN(CCCO)C(=O)c1cccc(C(F)(F)F)c1F	160553995	WORNPDHFCWXKCH-UHFFFAOYSA-N	293.260	2.689	70	20	CFID	
CC(C)C1(O)CN(C(=O)c2cc3ccc(F)cc3s2)C1	161193644	PABRVGVAVGIAGC-UHFFFAOYSA-N	293.363	2.883	70	20	CFID	
C[C@H](COc1ccccc1Cl)CS(=O)(=O)Cl	108304584	WCOLVXRIGIJEGA-MRVPVSSYSA-N	283.176	2.924	70	20	CFID	
CCCC[C@H](CN)NC(=O)c1cccn1Cc1ccccc1	159788666	TWWIKJQCJHFRRJ-MRXNPFEDSA-N	299.418	2.784	70	20	CFID	
COC[C@@H](NC[C@@H](C)COCc1ccccc1)C1CC1	161316352	UXMNLZOTNJQMQX-RHSMWYFYSA-N	277.408	2.854	70	20	CFID	
CC1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCCCC1	864240303	RUZRICFLQWKEDK-UHFFFAOYSA-N	299.367	2.797	70	20	CFID	
CC(C)NCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C	161097021	LKZZTEQMUPYTQG-PXAZEXFGSA-N	292.398	2.953	70	20	CFID	
CC(C)c1nc(Cn2nc(C3CC3)nc2C2CC2)no1	161492008	GMPGQZLRRDCXJC-UHFFFAOYSA-N	273.340	2.588	70	20	CFID	
CCSCc1cccc(NC(=O)[C@@H](N)CC)c1	161480766	AXQDKNONGXWLDI-LBPRGKRZSA-N	252.383	2.616	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@@H]1c1cccs1	160014499	GBFMYPAALYNOQL-NEPJUHHUSA-N	265.378	2.981	70	20	CFID	
CC[C@@H](C(=O)N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1	160409967	NRDMXBDARHIEGF-IAQYHMDHSA-N	289.354	2.930	70	20	CFID	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160613186	SIJKZYDZHVKSAP-LYBCRJIPSA-N	298.430	2.702	70	20	CFID	
CC1CCC(CNC(=O)c2cccc3[nH]c(=O)oc23)CC1	160786353	LGQMNOTUBGXJHS-UHFFFAOYSA-N	288.347	2.677	70	20	CFID	
CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CCCNC1	160945915	KYIXHUYDMDTUQU-LBPRGKRZSA-N	276.380	2.802	70	20	CFID	
CC[C@H](COC)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1	159612326	HRABSWQEOAQVOY-GXTWGEPZSA-N	299.436	2.556	70	20	CFID	
O=C(NCc1cc(F)ccc1F)c1cccc2[nH]cnc12	159420010	FLEYBQXFGLSCOS-UHFFFAOYSA-N	287.269	2.771	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)NCc1ccccc1	159437856	UBHINTYFRONXIL-UHFFFAOYSA-N	298.386	2.838	70	20	CFID	
C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)C1CC1	159702741	GPEFKBVLZXXUCL-LDYMZIIASA-N	266.366	2.523	70	20	CFID	
CC[C@H](NCCN(C)CCOC)c1ccc(F)cc1F	159376124	IGAIOCUFQMCWHS-HNNXBMFYSA-N	286.366	2.584	70	20	CFID	
O=S(=O)(Cl)Cc1cc(Br)ccc1F	105841319	XFBVXYCQPMNGNR-UHFFFAOYSA-N	287.537	2.657	70	20	CFID	
C[C@H]1CCN(CCS(=O)(=O)F)c2ccccc2S1	883953862	NWLUQGOOMBYWAS-JTQLQIEISA-N	289.397	2.677	70	20	CFID	
CCCC1(CNC(=O)c2cc(C(C)=O)cn2C)CC1	160576845	YWTVEVKFMLDWCM-UHFFFAOYSA-N	262.353	2.538	70	20	CFID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2	161127611	CQHIRTHDGCOYKD-QEJZJMRPSA-N	290.407	2.939	70	20	CFID	
CCc1ccc([C@@H](C)C(=O)N[C@H](CO)CC(C)C)cc1	161161045	NXODAWQVDCECMK-CJNGLKHVSA-N	277.408	2.876	70	20	CFID	
Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CCC[C@H](N)C1	161208480	FOMGANHMLDAMEF-STQMWFEESA-N	299.374	2.650	70	20	CFID	
COCCCCC(=O)N1CCC[C@H]1c1ccc(COC)o1	161297791	UBILGDYBEZSFER-AWEZNQCLSA-N	295.379	2.906	70	20	CFID	
C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(-c2ncn(C)n2)c1	161484913	MLJDADWYCZQRPL-NSHDSACASA-N	299.378	2.744	70	20	CFID	
CCO[C@@H](C)c1nccn1Cc1ccc(C(=O)OC)s1	161490721	KDOMTQUPVROODR-JTQLQIEISA-N	294.376	2.877	70	20	CFID	
C/C=C(\C=C\C(=O)NC[C@@H](O)c1ccccc1)CC	160042010	WUBMAXQNSDVSNM-UIQJKSHNSA-N	259.349	2.749	70	20	CFID	
FC(F)(F)c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nn1	160356215	LMXOSSFWZQIZAT-VHSXEESVSA-N	287.285	2.865	70	20	CFID	
COc1cc(CCC(=O)N(C)CC[C@H](C)O)ccc1Cl	160613751	OCFABUZIFHYDNE-NSHDSACASA-N	299.798	2.511	70	20	CFID	
Cc1c(/C=C/C(=O)N2CCC[C@@H]2C2CCCC2)cnn1C	160710022	XAIAKHAMFVGENX-ZNFPLGDCSA-N	287.407	2.923	70	20	CFID	
Cc1cc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1C	159648015	IXXNRVHUARXAKB-OLZOCXBDSA-N	298.390	2.507	70	20	CFID	
C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCCO1	159451784	SBXQGUDGTRKSBA-UKRRQHHQSA-N	261.365	2.693	70	20	CFID	
COCC1CCN(C(=O)[C@@H](C)c2ccsc2)CC1	159958388	LPJAECVOQJBDIY-NSHDSACASA-N	267.394	2.737	70	20	CFID	
CCN1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccs1	159769793	PRMAULQQNISJRA-STQMWFEESA-N	280.437	2.842	70	20	CFID	
CCOCCN(CC)c1nc(C(C)(C)C)ns1	159384401	OEJALTQJRGVVEN-UHFFFAOYSA-N	257.403	2.698	70	20	CFID	
CCOc1ccccc1N(C)Cc1nc([C@@H](C)OC)no1	159397671	NMVWOUDWEFKVOD-LLVKDONJSA-N	291.351	2.812	70	20	CFID	
CC(C)OCCN1CCO[C@]2(CCc3ccccc32)C1	159604796	QFNSECCYPRAZAM-QGZVFWFLSA-N	275.392	2.585	70	20	CFID	
C[C@H](CCC(C)(C)C)NC(=O)c1ccc(CN)o1	159771108	NOWSXEYKPZECSF-SNVBAGLBSA-N	252.358	2.683	70	20	CFID	
c1coc(CN(CCOCC2CC2)C[C@@H]2CCCO2)c1	159583851	JLNDAQAYPWRTRH-INIZCTEOSA-N	279.380	2.687	70	20	CFID	
c1cc(CNCCCCn2ccnc2)c2[nH]ccc2c1	218125034	WYKWVWAKOWAAGC-UHFFFAOYSA-N	268.364	2.934	70	20	CFID	
CC(C)CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1	218115984	WALHBIAKKVYUBB-LBPRGKRZSA-N	256.390	2.535	70	20	CFID	
O=S(=O)(Cl)c1c[nH]c2c(F)c(F)c(F)c(F)c12	139604884	WFTOJKWCOOVPHK-UHFFFAOYSA-N	287.621	2.652	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CCCNC1	161055634	LRDURIHEFAGJLE-BRWVUGGUSA-N	286.419	2.514	70	20	CFID	
CCCN(Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1	161097636	FGNUCAGRVBKLPT-MRXNPFEDSA-N	295.448	2.703	70	20	CFID	
CCO[C@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1	161150873	HQXAWTZUAXYQOA-AWEZNQCLSA-N	297.345	2.925	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCOC1CCOCC1	161205980	SOMZWURMAYUTGV-HOCLYGCPSA-N	297.439	2.999	70	20	CFID	
CN(CC1CCOCC1)c1cnc2cc(F)c(F)cc2n1	161252243	OBKFIVRSXRFAOD-UHFFFAOYSA-N	293.317	2.771	70	20	CFID	
O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)C1=CCCC1	161473819	IBSGAPMCUOKSGB-ARFHVFGLSA-N	253.345	2.799	70	20	CFID	
C[C@H]1CC[C@@H](CCC(=O)NCC2(C3CC3)CC2)O1	160019027	GTRSOKNCBUWMQY-AAEUAGOBSA-N	251.370	2.641	70	20	CFID	
CCOCCC1(CNC(=O)Cc2ccc(C)nc2)CCC1	160069015	YOERMZXFNFQBMD-UHFFFAOYSA-N	290.407	2.646	70	20	CFID	
CC[C@H](CC(=O)N(C)CC[C@H](C)O)c1ccc(OC)cc1	160134018	ZDASINKHOHNGAI-UONOGXRCSA-N	293.407	2.808	70	20	CFID	
c1nc(NCC2CC2)cc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160405560	CDDUUQMLGBOLJW-ZIAGYGMSSA-N	288.395	2.668	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3sccc31)CC2	160493224	PUEWRNHZNFWYFO-WCQYABFASA-N	288.420	2.630	70	20	CFID	
O=C(C[C@H]1CCCN1)NC1(c2cccc(Cl)c2)CC1	160523297	IJJUQXPLVVOQLZ-CYBMUJFWSA-N	278.783	2.587	70	20	CFID	
CCc1nc(CN[C@@H](Cc2ccc(F)cc2)C(C)C)n[nH]1	160636611	WBSMBLMPEKDVBH-AWEZNQCLSA-N	290.386	2.863	70	20	CFID	
CN(C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CCCCC1	160909996	GEBSJZQDZGCJAG-AWEZNQCLSA-N	293.455	2.977	70	20	CFID	
Cc1ccccc1-n1ccnc1SCc1nncn1C	160992739	UMOWAIPDURVDNY-UHFFFAOYSA-N	285.376	2.602	70	20	CFID	
CC(C)CONC(=O)Nc1nnc(C(C)(C)C)s1	159425120	WYXVWRUFJDZFGB-UHFFFAOYSA-N	272.374	2.545	70	20	CFID	
CCC(C)(CC)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21	159495034	XQJIEEXZKPVZFY-ZIAGYGMSSA-N	266.429	2.755	70	20	CFID	
COc1ccc([C@H](CCO)N[C@@H](C)c2ccccn2)cc1	159391764	ZZECISNDHDJTDR-GUYCJALGSA-N	286.375	2.865	70	20	CFID	
C[C@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cnn(C)c1	160866323	WMGHNYFKUHKADC-CABCVRRESA-N	286.423	2.591	70	20	CFID	
O=C(C=C1CCC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857673997	AQAXJHJBZDHBLY-UHFFFAOYSA-N	287.287	2.533	70	20	CFID	
CO[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)nn2)C1(C)C	218061984	ZTMNRRRIJLYCRJ-BDAKNGLRSA-N	275.274	2.721	70	20	CFID	
COC[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](N(C)C)C1	161077029	NTKFXLKPODLINV-BZSNNMDCSA-N	290.451	2.707	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cccnc1Cl	161272852	RDYYQWQZQAZRNT-UHFFFAOYSA-N	285.775	2.655	70	20	CFID	
CC1(C)C[C@@H](NC(=O)NCCc2cccc(F)c2)CCO1	161273759	JDSVEHOSRAVWIJ-AWEZNQCLSA-N	294.370	2.625	70	20	CFID	
CC(C)C[C@H]1CCCCCN1C(=O)[C@H]1CCCNC1	161298904	SKSNOFATZIMHTA-LSDHHAIUSA-N	266.429	2.803	70	20	CFID	
CCOCCC1(CNC(=O)NC[C@H]2CC=CCC2)CC1	161434286	SZIQNQIZJYBCLX-AWEZNQCLSA-N	280.412	2.849	70	20	CFID	
NCCCNC(=O)c1cc2c(s1)-c1ccccc1CC2	160053366	ODYABAFQUFICMR-UHFFFAOYSA-N	286.400	2.592	70	20	CFID	
C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2)C1CCC1	160395575	FPCHMXVQNQRYBY-JTQLQIEISA-N	287.363	2.881	70	20	CFID	
CC(C)CSCCCNC(=O)[C@@H](C)OCC1CC1	160752932	ZOYZWSSERFXPTH-GFCCVEGCSA-N	273.442	2.697	70	20	CFID	
CC(C)n1ccnc1CN(C)CC(=O)Nc1ccccc1	160780435	ZYYJEKSDKAQUQU-UHFFFAOYSA-N	286.379	2.535	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cncnc1C	160932260	VRTPLVDRDUWLDK-TZMCWYRMSA-N	261.369	2.826	70	20	CFID	
Cc1noc(C)c1N(C)C(=O)C[C@@H](C)c1ccncc1	160944116	HLMDXJFHLKKSEJ-SNVBAGLBSA-N	273.336	2.843	70	20	CFID	
COc1ccc(Cl)cc1C(=O)Nc1c[nH]c(=O)c(C)c1	159407282	WJOWAXZJNJOILG-UHFFFAOYSA-N	292.722	2.598	70	20	CFID	
CCc1noc(C)c1CNc1cccc2c1OCCO2	159412749	FKPZLQJAZQOETJ-UHFFFAOYSA-N	274.320	2.929	70	20	CFID	
C[C@@H](C(=O)N(C)C[C@@H]1CCCOC1)c1ccsc1	159449843	ANYSRWPBGHYVAP-NEPJUHHUSA-N	267.394	2.737	70	20	CFID	
CCc1nc(CN2CCC(C)(c3ccccc3)CC2)n[nH]1	159487385	DCDYFOXTQWVMCV-UHFFFAOYSA-N	284.407	2.921	70	20	CFID	
Cc1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)[nH]n1	159494369	ZSBUITVAFBBEHS-DZGCQCFKSA-N	299.374	2.616	70	20	CFID	
Cc1cc(NC(=O)[C@H]2CSc3ccccc32)c[nH]c1=O	159566639	HKTQFERCLCIZRF-LBPRGKRZSA-N	286.356	2.511	70	20	CFID	
CC[C@H](CCO)NC(=O)c1cccc(OCC(C)C)c1	160063858	YDLBXLMDNJAMQU-CQSZACIVSA-N	279.380	2.612	70	20	CFID	
Cc1ccsc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460090825	INZKUZFEMKIRFY-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC1=C(C(=O)N[C@H]2CCc3ccccc32)CCCO1	161048255	BEXZDHBQWQYNPM-HNNXBMFYSA-N	257.333	2.875	70	20	CFID	
Cc1ccc(C(=O)CCC(=O)N[C@@H](CO)CC(C)C)s1	161062145	HUADNHJNPGIYIB-GFCCVEGCSA-N	297.420	2.543	70	20	CFID	
CC(C)COc1ccc(C(=O)N2CCC(C)(O)CC2)cc1	161236569	NQQAAWPHUMDISF-UHFFFAOYSA-N	291.391	2.708	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1	161346103	QTGDERMONREMLB-SWLSCSKDSA-N	298.390	2.636	70	20	CFID	
CSC[C@@H](CCO)NC1C2CC3CC(C2)CC1C3	160146316	VEISNCRRWRKHRZ-DUTNFGBUSA-N	269.454	2.515	70	20	CFID	
CC[C@H](NC(=O)CCc1ccccn1)c1c(C)noc1C	160248936	BLWLBRZFLHUEPO-AWEZNQCLSA-N	287.363	2.887	70	20	CFID	
CCn1cc(Nc2nnc(C(F)(F)F)s2)cn1	160320952	AJRJRQVMDKAFRG-UHFFFAOYSA-N	263.248	2.517	70	20	CFID	
Cc1ccc(F)c(OCC(=O)N(C)C[C@@H]2CCCCO2)c1	160372919	MUBXQQRJLJLMLC-ZDUSSCGKSA-N	295.354	2.540	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C)C2)CCO1	160391617	QOQLHSVPXUPRHA-BFHYXJOUSA-N	268.401	2.776	70	20	CFID	
c1ccc2c(c1)CCN2Cc1noc(C2CCOCC2)n1	160677089	IZOLTQFQPOABMX-UHFFFAOYSA-N	285.347	2.526	70	20	CFID	
CNC[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C	160722256	SXFYJTIDWSUZOH-CJNGLKHVSA-N	274.408	2.822	70	20	CFID	
CCN(C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H](C)C(C)C	160758507	MPMATAHIOSAYOW-HIFRSBDPSA-N	281.444	2.547	70	20	CFID	
Cc1cccc2c(CCC(=O)N3CCSCC3)c[nH]c12	160817317	AVHHYPIZSZGNTG-UHFFFAOYSA-N	288.416	2.984	70	20	CFID	
Cc1csc(CNC(=O)NC[C@@]2(C)CCCS2)n1	159634949	WBBVJKCWIUVXKA-GFCCVEGCSA-N	285.438	2.536	70	20	CFID	
COCc1ccccc1NC(=O)N(C)CC1(O)CCCC1	159872332	KNUKMSKMAKMFRZ-UHFFFAOYSA-N	292.379	2.602	70	20	CFID	
Cc1nccc(NC(=O)N2CCO[C@@H](C)[C@@H]2C)c1Cl	159948237	ZPACCBPDHJDFHA-UWVGGRQHSA-N	283.759	2.685	70	20	CFID	
CC(C)(C)CCN[C@@H](CC(N)=O)C1CCCCC1	159752843	QFCVGZYAGZFHKA-ZDUSSCGKSA-N	254.418	2.837	70	20	CFID	
CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H](CN)C1CC1	159856127	BLAZZJNMWYKESI-GFCCVEGCSA-N	286.297	2.515	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)c1ccccc1C(F)(F)F	160764050	DTIKACOITFPGMP-GFCCVEGCSA-N	289.297	2.842	70	20	CFID	
c1coc([C@H]2CN(CCCN3CCCCC3)CCO2)c1	161499501	ULQJMEKYEHRBBY-MRXNPFEDSA-N	278.396	2.529	70	20	CFID	
CC(C)[C@@H](CCc1ccc(Cl)cc1)NCCO	159710315	DKQRWEXAHCHRNR-CQSZACIVSA-N	255.789	2.879	70	20	CFID	
CSC[C@](C)(O)CNCc1cccc2c1OC(C)(C)C2	217859527	YRYUYHUKTMLOCK-MRXNPFEDSA-N	295.448	2.604	70	20	CFID	
C[C@H]1CCC[C@@H](CNC(=O)c2ccc(O)cc2O)C1	218211203	YQAVIKUMKFKSCW-WDEREUQCSA-N	263.337	2.654	70	20	CFID	
CC(C)NC(=O)c1ccc(C(=O)N[C@@H](C)C2CCC2)cc1	161423401	SVPZMXXYPLYSNF-LBPRGKRZSA-N	288.391	2.743	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccsc1	160081493	UYFUMDGLEACTRB-GFCCVEGCSA-N	265.378	2.970	70	20	CFID	
CC[C@@H](N[C@H](CCO)CSC)c1ccc(OC)cc1	160250476	DGMBZNAJZZEWIC-UKRRQHHQSA-N	283.437	2.850	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H]1CCc2ccccc21	160555254	XNYWCTIOWSSMTI-JSGCOSHPSA-N	289.375	2.564	70	20	CFID	
Cc1cnc(CNC(=O)C[C@H](C)c2ccncc2)s1	160732493	MLEUTHKUYBLKEW-JTQLQIEISA-N	275.377	2.657	70	20	CFID	
CC(C)N(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160749425	KDMNHXQHFHEVAV-CABCVRRESA-N	276.380	2.957	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCOCC1	160934210	BWFVAQUTJGHMRE-TZMCWYRMSA-N	253.386	2.840	70	20	CFID	
CC(=O)Nc1ccc(NC(=O)N[C@@H](C)C2CCC2)cc1	159811999	JOETYGZDJPXUQN-JTQLQIEISA-N	275.352	2.955	70	20	CFID	
COCc1ccc(C(=O)NC2CCCCCC2)o1	159854170	YGRDPTLVBGADNI-UHFFFAOYSA-N	251.326	2.879	70	20	CFID	
CC(C)C[C@H](CCO)CNC(=O)c1ccc(C(C)C)nc1	159855102	GEEXHEBYNPUYFU-AWEZNQCLSA-N	292.423	2.980	70	20	CFID	
CCOCCC1(CNC(=O)c2cc(C)c(C)o2)CC1	159469798	MOBADRVCDJHQII-UHFFFAOYSA-N	265.353	2.833	70	20	CFID	
Cc1cc(NC(=O)C2(Cc3ccccc3)CC2)c[nH]c1=O	159486261	JKXATRGYDBZHBI-UHFFFAOYSA-N	282.343	2.645	70	20	CFID	
O=C(/C=C/C1CCOCC1)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	159940792	DXWWQFCYXFVFTA-DATOGJLVSA-N	297.398	2.671	70	20	CFID	
Cc1cc(N[C@@H](C)C(=O)N2CCCc3ccccc32)nn1C	159561515	GUTBKQBWPTWDDD-ZDUSSCGKSA-N	298.390	2.508	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@@H]1CCC[C@@H](C)C1	160795355	JWLSDGDIUFPGND-ZIAGYGMSSA-N	275.458	2.710	70	20	CFID	
C[C@H](NCc1cccc2cc[nH]c12)C(=O)NC(C)(C)C	218157501	FLTLOLIMMWSREN-NSHDSACASA-N	273.380	2.561	70	20	CFID	
CCC(CC)(CN)C(=O)Nc1nnc(C(C)(C)C)s1	161171178	QLZLSIDFEUTQGS-UHFFFAOYSA-N	284.429	2.539	70	20	CFID	
CCCN1CCC(NC(=O)c2ccc(C(C)C)nc2)CC1	161187736	VTSZWYWPYYVGRV-UHFFFAOYSA-N	289.423	2.809	70	20	CFID	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc[nH]1	161270867	GKWSRDXPJVZONE-SNVBAGLBSA-N	274.295	2.545	70	20	CFID	
CCOc1cccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)c1	161303911	AAFQNIFSONSXQF-JSGCOSHPSA-N	292.379	2.853	70	20	CFID	
NCCCNC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2CC[C@@H]1C2	160065192	XBKJLJBNJHYHLP-NUJGCVRESA-N	286.419	2.501	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccnc1	160657919	LZNXKHOAUZDMCT-CQSZACIVSA-N	274.364	2.693	70	20	CFID	
Cn1cnnc1CN[C@@H](c1ccccc1)C(C)(C)C	160827617	BBIXEJPFJHECDO-AWEZNQCLSA-N	258.369	2.692	70	20	CFID	
COC(=O)c1csc(NC(=O)N(C)Cc2ccco2)c1	160854266	KZORCJFIVXSDSK-UHFFFAOYSA-N	294.332	2.792	70	20	CFID	
CC(=O)NC(C)(C)c1noc(-c2cc(C)c(F)c(C)c2)n1	160871957	WJDKJMHSZBXCEN-UHFFFAOYSA-N	291.326	2.864	70	20	CFID	
CC(C)C[C@@H](C)OCCC(=O)N(C)Cc1cccn1C	160916061	ASLLFGZIQNRCCH-CQSZACIVSA-N	280.412	2.825	70	20	CFID	
CCCCN(CC)C(=O)Nc1ccnn1C[C@@H]1CCOC1	159604582	PLDNFEUSLCTXRK-ZDUSSCGKSA-N	294.399	2.574	70	20	CFID	
C[C@H]1CC[C@@H](CC(=O)N2CCC(NCC3CC3)CC2)C1	159827028	RTFZOLJOBDJJTO-DZGCQCFKSA-N	278.440	2.803	70	20	CFID	
Cc1cnc(C(=O)Nc2cc(F)ccc2OC(F)F)cn1	159455539	HDFDZQFCFJVHOF-UHFFFAOYSA-N	297.236	2.778	70	20	CFID	
Cc1ccc(Cl)cc1NC(=O)N[C@@]1(C)CCOC1	159483396	GUHQCWKCANUMNH-ZDUSSCGKSA-N	268.744	2.949	70	20	CFID	
COCCn1cnnc1SCC(=O)CCC1CCCC1	159888570	AVWPIAMIHOQZEC-UHFFFAOYSA-N	297.424	2.556	70	20	CFID	
COc1ccc(N(C)C(=O)c2cocn2)cc1Cl	159906157	UULLBPWFALODOS-UHFFFAOYSA-N	266.684	2.613	70	20	CFID	
CCOC(=O)CN(C)CCc1c(F)cccc1Cl	159515750	YWWNGMYKQZVCEC-UHFFFAOYSA-N	273.735	2.517	70	20	CFID	
COc1ccccc1S(=O)(=O)N1CC[C@@H](C)C[C@@H](C)C1	159739854	VYPPZIJOSLVVMF-CHWSQXEVSA-N	297.420	2.752	70	20	CFID	
C[C@@H](COc1ccc(F)cc1F)NC(=O)NC1(C)CCC1	159935287	OVNOTLABKZNNBG-JTQLQIEISA-N	298.333	2.974	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)[C@H](O)C(C)C	159775885	LPNRVACMVJRXLI-HZSPNIEDSA-N	284.444	2.907	70	20	CFID	
CCCN(CC)CCNc1nc(C(C)(C)C)ns1	159799544	RCFHUBMWSOSATM-UHFFFAOYSA-N	270.446	2.979	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1occc1-c1ccccc1	160120833	KVYUSTRGDUVQLY-ZDUSSCGKSA-N	273.332	2.837	70	20	CFID	
CCCOc1cccc(CNCc2cnn(C)c2C)c1	160282362	DNBRHVRXPKRGTI-UHFFFAOYSA-N	273.380	2.807	70	20	CFID	
CCCC(CCC)C(=O)N1CCc2ncncc2C1	218065714	JUXZRPKTBHPCGS-UHFFFAOYSA-N	261.369	2.578	70	20	CFID	
CC(C)c1nccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	160050644	ZCKYFNQVHKKJTH-YUTCNCBUSA-N	273.380	2.970	70	20	CFID	
CCC(CC)n1nc(C)c(S(=O)(=O)Cl)c1C	108746189	BIEQUIUBEPPZSI-UHFFFAOYSA-N	264.778	2.789	70	20	CFID	
CCC1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	864242927	UINUZAYPDBHIJQ-UHFFFAOYSA-N	299.367	2.655	70	20	CFID	
CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1	864238434	KDRVGQFQAITGKP-LLVKDONJSA-N	299.367	2.607	70	20	CFID	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)F)c1)C1CC1	1336414422	WVURJPFHUFDFJY-UHFFFAOYSA-N	299.367	2.605	70	20	CFID	
CCS[C@H]1CCCCN(C(=O)C(CC)(CC)CN)C1	161223979	HYBFBEAUDLOCHL-ZDUSSCGKSA-N	286.485	2.886	70	20	CFID	
C[C@@]1(O)CCCN(C(=O)NCc2cccc3ccccc23)C1	161267652	YPHDOZAEESRQCO-GOSISDBHSA-N	298.386	2.896	70	20	CFID	
CSc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)ccc1F	161312388	RIYDWHQXCFUKGL-SNVBAGLBSA-N	296.411	2.760	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2cc3cccc(F)c3o2)C1	161444733	IBEIRQRGUFUODV-WDEREUQCSA-N	276.311	2.572	70	20	CFID	
CC[C@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160086518	HOWWWVXGQMETPR-ZDUSSCGKSA-N	284.400	2.550	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccccc1Cn1cccn1	160334707	RSNOPBZFZSZSOX-FUHWJXTLSA-N	297.402	2.984	70	20	CFID	
C[C@@H](Cc1ccccc1Cl)C(=O)NCCCF	160456549	ILAZSRDCJZFBFZ-JTQLQIEISA-N	257.736	2.994	70	20	CFID	
C[C@H]1CC[C@H](CC(=O)NCC2(N)CCCCC2)C1	159646965	OFZUCWQUXRYDDO-STQMWFEESA-N	252.402	2.591	70	20	CFID	
Cc1ccc(C)c(OCCSCCN2CCOCC2)c1	159843890	TUHOCJBSWBTZPO-UHFFFAOYSA-N	295.448	2.748	70	20	CFID	
CC[C@H](NC(=O)C[C@H]1CCCN1)c1ccc(F)cc1F	159731219	WASTTWYBFCEUFP-RISCZKNCSA-N	282.334	2.674	70	20	CFID	
Cc1ccc(CCNC(=O)[C@@H](C)c2ccsc2)cn1	159791765	YLSSEROPLKZFTJ-LBPRGKRZSA-N	274.389	2.914	70	20	CFID	
C[C@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)C1CCCCC1	159991606	ISHUIAIMYADYFU-BMFZPTHFSA-N	278.440	2.946	70	20	CFID	
C[C@H]1CC[C@@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)O1	159894059	CQEJZVWLGMQLQO-CPCISQLKSA-N	289.253	2.917	70	20	CFID	
CCCn1nccc1CNc1ccc(C(=O)OC)cc1	159997155	UNNBJQBRGMXILF-UHFFFAOYSA-N	273.336	2.692	70	20	CFID	
CC(C)C[C@H](C)OCCCCS(=O)(=O)Cl	114257833	PKWNAUSAEUFPTJ-JTQLQIEISA-N	256.795	2.786	70	20	CFID	
O=S(=O)(Cl)C[C@H](F)c1c(F)cccc1F	1537958780	KGOUPVUHHXYMHS-ZETCQYMHSA-N	258.648	2.544	70	20	CFID	
Cc1sccc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864243563	NPTLOANOPODXBE-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC(C)(C)[C@H]1CCN1C(=O)c1cccc(S(=O)(=O)F)c1	1121187027	KYXLNPLLSITWSB-GFCCVEGCSA-N	299.367	2.605	70	20	CFID	
Cn1nccc1CSc1nnc(-c2cccs2)o1	161244519	URDOBRCWICZNTR-UHFFFAOYSA-N	278.362	2.824	70	20	CFID	
Cc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cn1	161301488	YJVLTURCLCIURB-RNODOKPDSA-N	288.416	2.978	70	20	CFID	
FC(F)(F)c1nnc(NCCc2cccnc2)s1	160154872	RHBPQQRJPKWAPD-UHFFFAOYSA-N	274.271	2.607	70	20	CFID	
CSc1ccccc1N(C)C(=O)[C@@H]1CCCO1	160185577	YXKNULYEMQWNDC-NSHDSACASA-N	251.351	2.550	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCc1ccc(Cl)cc1	160269661	IZKUUMSHDYNRHF-NSHDSACASA-N	297.782	2.731	70	20	CFID	
COC(=O)c1csc(NC(=O)N(C)CCC2CC2)c1	160317088	LNZJIDNXWMGALD-UHFFFAOYSA-N	282.365	2.799	70	20	CFID	
CCSCC[C@@H](C)NC(=O)c1ccccc1NC	160360909	YAWIXRZVAFTTRC-LLVKDONJSA-N	266.410	2.990	70	20	CFID	
CC[C@H](NC(=O)C[C@H]1CCCN1)c1cc(F)ccc1F	160659392	BMCVYRPRCHAINV-RISCZKNCSA-N	282.334	2.674	70	20	CFID	
Cc1cccc([C@H]2CCCN2C(=O)c2cccc(=O)n2C)c1	160693355	YJAFELACKRNFMY-OAHLLOKOSA-N	296.370	2.671	70	20	CFID	
CSC[C@@H](C)C(=O)NCCCSCC(C)C	160736660	XGEQZCVHXMTTQQ-LLVKDONJSA-N	263.472	2.881	70	20	CFID	
O=C([C@H]1CCCCN1)N1CC[C@@H](c2ccc(Cl)cc2)C1	159805951	JCUCUVITYKVDOO-UKRRQHHQSA-N	292.810	2.798	70	20	CFID	
CC(=O)Nc1cc(C(=O)NCC2(C3CC3)CC2)ccc1C	159677233	RHXBWVPDXCCLHU-UHFFFAOYSA-N	286.375	2.873	70	20	CFID	
C/C=C/C=C/C(=O)NC[C@@H]1[C@H]2c3ccccc3C[C@@H]12	159899646	YGVNNKNKEMKYOF-GFTCHACQSA-N	253.345	2.821	70	20	CFID	
COc1ccc(CCCN(C)CCOCC2CC2)cc1	159532611	KGFQAPFPHFEMLS-UHFFFAOYSA-N	277.408	2.986	70	20	CFID	
CC[C@H](Nc1cccc(NC(=O)C(C)C)c1)C(=O)OC	159515997	MGEDUZSWEKWOEZ-ZDUSSCGKSA-N	278.352	2.645	70	20	CFID	
CC1(C)CC[C@@H](COC(=O)c2cc(F)c(F)cc2N)O1	160787241	BFDUNGDRGOWBAD-QMMMGPOBSA-N	285.290	2.661	70	20	CFID	
CSc1cc(C(=O)NC[C@H](C)N(C)C2CC2)ccc1F	161312266	RIYDWHQXCFUKGL-JTQLQIEISA-N	296.411	2.760	70	20	CFID	
C[C@H](OCCCNC(=O)[C@H]1CCCCO1)c1ccccc1	161335928	YLMVVYQDLIOTBI-GOEBONIOSA-N	291.391	2.840	70	20	CFID	
COc1ccc(CNC(=O)N2[C@H](C)CC[C@H]2C)cc1	161425202	GMGKUSLYDOLHLW-VXGBXAGGSA-N	262.353	2.778	70	20	CFID	
CC(C)(N)CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12	160123875	GMNSHFLYFZODJV-HOTGVXAUSA-N	282.387	2.797	70	20	CFID	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3[nH]cnc3c1)CO2	160131933	DEWCTPFDLXMHME-OAHLLOKOSA-N	293.326	2.735	70	20	CFID	
OCC1(CNCc2cn3cc(Cl)ccc3n2)CCCC1	160152348	SWKDSXIOYMOLRZ-UHFFFAOYSA-N	293.798	2.630	70	20	CFID	
CC[C@@H](C)C(=O)Nc1ccccc1N1CCC(CO)CC1	160256759	DLXHBWMLFSISFC-CYBMUJFWSA-N	290.407	2.880	70	20	CFID	
CCCc1ccccc1NC(=O)N[C@]1(C)CCOC1	160387434	GUGIKDXRUZFAFB-OAHLLOKOSA-N	262.353	2.940	70	20	CFID	
CC[C@H](C)CN(CC)C(=O)NCC1(CCOC)CC1	160968859	VEBLSTIFZXYNEZ-ZDUSSCGKSA-N	270.417	2.881	70	20	CFID	
CCn1cc(C(=O)Nc2cc(F)ccc2OC(F)F)cn1	159465650	BLTRSBDZVZIEPQ-UHFFFAOYSA-N	299.252	2.896	70	20	CFID	
Cc1ccc(C(=O)N[C@@H](C)C2CC2)c(Br)n1	159704229	QDQSUEOGGLPFTF-QMMMGPOBSA-N	283.169	2.681	70	20	CFID	
Cc1cnc([C@@H](C)CNC(=O)NCCc2ccco2)s1	159563286	ZYCRDNJDBVVUAZ-JTQLQIEISA-N	293.392	2.690	70	20	CFID	
CCSCC[C@@H](C)NC(=O)N(C)CC1CCOCC1	159592632	NOPMIDOCMVEOBN-GFCCVEGCSA-N	288.457	2.586	70	20	CFID	
C[C@H](NCc1cc(F)cc(Cl)c1)C(=O)NC(C)(C)C	160980459	JWLVQMZJLYQGTR-VIFPVBQESA-N	286.778	2.872	70	20	CFID	
Cc1cccc(CCNC(=O)NCCOc2ccccc2)c1	217303699	DGQXAXCQICTGAU-UHFFFAOYSA-N	298.386	2.916	70	20	CFID	
CC(C)=C(C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675417	MRBULJWPJGKBQS-UHFFFAOYSA-N	285.340	2.948	70	20	CFID	
CSC[C@@H](CCO)N[C@@H](Cc1ccccc1)C1CC1	160171889	RXIOINMBNDAGNL-CVEARBPZSA-N	279.449	2.711	70	20	CFID	
O=C(NO[C@@H]1CCCCO1)N[C@@H]1CCCc2ccccc21	161149854	UNFBEZIMAFYQHC-HUUCEWRRSA-N	290.363	2.821	70	20	CFID	
CCOc1cccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)c1	161303517	AAFQNIFSONSXQF-TZMCWYRMSA-N	292.379	2.853	70	20	CFID	
CCC[C@@H](C(=O)N[C@@H]1CCc2ccccc21)N(C)C	161346068	SOAOSLCAZKTZQQ-CABCVRRESA-N	260.381	2.520	70	20	CFID	
COc1ccc(OC)c([C@@H](C)NCC2(CO)CCCC2)c1	160108931	ONWLLRYIUHIBCA-CYBMUJFWSA-N	293.407	2.907	70	20	CFID	
O=C(/C=C/C1CCCCC1)NS(=O)(=O)c1ccsc1	160056618	NCYXYNNAYRCKPP-VOTSOKGWSA-N	299.417	2.690	70	20	CFID	
CC(C)(CNC(=O)c1ccc2nncn2c1)C1CCCC1	160071859	VNFLZYRIRIABEZ-UHFFFAOYSA-N	286.379	2.676	70	20	CFID	
C[C@H](NCC1(CO)CCCC1)c1ccc2c(c1)OCCO2	160079932	DJJHUTTVVVDYKG-ZDUSSCGKSA-N	291.391	2.661	70	20	CFID	
NCCCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1	160089193	RJXAKHYGDNJLQF-UHFFFAOYSA-N	294.826	2.908	70	20	CFID	
COC[C@H]1CCCN(C(=O)[C@@H](C)c2ccsc2)C1	160207865	SZPOWBUPHBCORL-RYUDHWBXSA-N	267.394	2.737	70	20	CFID	
NC[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1	160264710	KDMXASFJOFBRTA-LBPRGKRZSA-N	286.331	2.635	70	20	CFID	
Cc1nc(NC(=O)CCC2CCOCC2)cc(C2CC2)n1	160319684	UUMOJEHJZIOEDE-UHFFFAOYSA-N	289.379	2.808	70	20	CFID	
CC[C@H](C)CN(CC)C(=O)c1cccc2[nH]c(=O)oc12	160598288	AOUHYMYMSHZGGJ-JTQLQIEISA-N	276.336	2.629	70	20	CFID	
Cc1csc(CCCCN[C@H](C)[C@@H]2CCOC2)n1	160651608	RUZIJQAOQBLWFQ-CHWSQXEVSA-N	268.426	2.789	70	20	CFID	
CCc1ccc([C@H](CO)NCc2nc(C)cs2)cc1	160805057	JUUSCPITGKMDKB-AWEZNQCLSA-N	276.405	2.837	70	20	CFID	
C[C@@H](O)CN(C)[C@H](C)CCSc1ccccc1	159456147	IYCVFSJWIWCNCJ-CHWSQXEVSA-N	253.411	2.870	70	20	CFID	
COCC[C@H](C)NC(=O)Nc1ccnc(C)c1Cl	159467604	DIJFLKDSFISIQH-QMMMGPOBSA-N	271.748	2.590	70	20	CFID	
O=C(Cc1ccc(-n2cccn2)cc1)NCC1(C2CC2)CC1	159664622	FNMAMWAAJQLUSB-UHFFFAOYSA-N	295.386	2.721	70	20	CFID	
CCOC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21	159546458	RPNJOCBPCAJTGL-OAHLLOKOSA-N	259.349	2.701	70	20	CFID	
CCOC(=O)CNc1cc(F)ccc1Br	159611201	WWROQOWUFXYTMU-UHFFFAOYSA-N	276.105	2.563	70	20	CFID	
CC[C@@H](NC(=O)C[C@@H]1COC(=O)C1)c1ccc(Cl)cc1	161099864	DKGGDIHHHKSOOK-GXFFZTMASA-N	295.766	2.861	70	20	CFID	
O=C(NCC1(C2CC2)CC1)Nc1ccc(-n2cccn2)nc1	160134549	ASOFZDOGALSIRK-UHFFFAOYSA-N	297.362	2.579	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccccc1OCCCOC	160589999	LOPHBKCPNBGWJC-ZDUSSCGKSA-N	295.379	2.856	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc(Br)cn1	160639895	HWRPZFKCFPOIGB-ZETCQYMHSA-N	289.198	2.924	70	20	CFID	
CCSCC[C@H](C)Nc1ncc(C(=O)OC)s1	160872006	MSZKLISTAXLMLW-QMMMGPOBSA-N	274.411	2.873	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)CCc1ccoc1	159444262	QBXWFRBVYIFXQH-UHFFFAOYSA-N	287.359	2.887	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Cl)nc1	159666285	JRPWGJMOKNHPTE-KWQFWETISA-N	266.728	2.679	70	20	CFID	
O=C(Nc1cn[nH]c1)[C@H]1C[C@@H]1c1ccccc1OC(F)F	159773345	MLNJRPWRQMXOSG-MNOVXSKESA-N	293.273	2.753	70	20	CFID	
Cc1ccc(C(=O)CCN(C)C[C@@H]2CCOC2)cc1	160026299	BRGLELLQJAPUCA-AWEZNQCLSA-N	261.365	2.536	70	20	CFID	
CCCn1nccc1CNC[C@@H](C)CN1CCCCC1	160108930	PLFGGPXCAKDKEN-OAHLLOKOSA-N	278.444	2.505	70	20	CFID	
Cc1c(CNCc2ccccc2OC(C)C)cnn1C	160677353	GDCGREBELYZBBY-UHFFFAOYSA-N	273.380	2.806	70	20	CFID	
O=S(=O)(Cl)C[C@@H](F)c1ccccc1Cl	257875165	DZPFLMQWDMLWJD-MRVPVSSYSA-N	257.113	2.919	70	20	CFID	
CCOc1ccccc1CN(CC)Cc1cnn(C)c1	161090544	LOBNVCYOUACXFZ-UHFFFAOYSA-N	273.380	2.841	70	20	CFID	
C[C@@H](SCCN1CCOCC1)c1ccccc1	159840239	HCEJHWFXSRHAPV-CYBMUJFWSA-N	251.395	2.813	70	20	CFID	
COC(CN(C)CCCOc1ccc(Cl)cc1)OC	160640922	BTPXHSHGWDNMHB-UHFFFAOYSA-N	287.787	2.660	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)N[C@@H](CO)CC(C)C	160838814	XNGWQBQOMGQGSC-HIFRSBDPSA-N	285.428	2.638	70	20	CFID	
CCCN(CC)CCNCc1ccc(O)c(OCC)c1	217716922	OPCPNXMDDNDETE-UHFFFAOYSA-N	280.412	2.612	70	20	CFID	
CC[C@@H](CSc1ccc(C)c(C)c1)NS(C)(=O)=O	161113518	ZTOHYGMHYRXVNL-LBPRGKRZSA-N	287.450	2.723	70	20	CFID	
C[C@@H]1Sc2ccccc2N(Cc2nncn2C)[C@H]1C	161157060	JBODBEJWRDUMDA-QWRGUYRKSA-N	274.393	2.704	70	20	CFID	
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161289918	PNJLYTUMVAUBER-GRYCIOLGSA-N	279.767	2.976	70	20	CFID	
CC[C@@H](SCc1nc(N)nc(N)n1)c1ccc(F)cc1	161305749	FIVPKSJUGFVJDE-SNVBAGLBSA-N	293.371	2.560	70	20	CFID	
COC(=O)c1ccc(F)c(NC(=O)C2=C(C)OCCC2)c1	161502653	VNZNNCUCHUUNEG-UHFFFAOYSA-N	293.294	2.635	70	20	CFID	
CC[C@@H](C)OCC(=O)NCCCN(C)c1ccccc1F	160051118	JQDDMVNTVVXDAD-CYBMUJFWSA-N	296.386	2.583	70	20	CFID	
CCCCn1ncc(C(=O)Nc2cccc(C)n2)c1C	160088278	RKDUANKASYKNML-UHFFFAOYSA-N	272.352	2.947	70	20	CFID	
CC1(C)CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CCO1	160353059	XFQXVTZMTNNEEW-RYUDHWBXSA-N	295.329	2.706	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NCCOc1ccc(Cl)cn1	160395393	ZIFBSQGBHZAPHZ-NSHDSACASA-N	299.802	2.848	70	20	CFID	
CC[C@H](C)NC(=O)NC[C@@H](C)COc1ccccc1OC	160569034	HVUGJJVFFHWYQM-OLZOCXBDSA-N	294.395	2.808	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CC[C@@H]3CC[C@@H](C2)N3C)o1	160639559	IXUSQOVTQXEAHC-CFYKVZDHSA-N	288.391	2.550	70	20	CFID	
C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CCN(CC2CC2)C1	160665224	GFEJOBGQNPVTCM-BBRMVZONSA-N	299.418	2.632	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCCc1cnn(-c2ccccc2)c1	160810942	YCQBMCVKOYFROK-WMZOPIPTSA-N	297.402	2.967	70	20	CFID	
COC(=O)CN(CCCc1cccc(OC)c1)C(C)C	159600762	MYGCBNXJEPUGFX-UHFFFAOYSA-N	279.380	2.511	70	20	CFID	
O=C(Cc1ccc(O)cc1Cl)N1C[C@H]2CCC[C@@H]2C1	159419908	POJZCCSNOMUQBX-VXGBXAGGSA-N	279.767	2.847	70	20	CFID	
O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccccn1	159443640	HDVDMXORVNFGQW-UHFFFAOYSA-N	269.279	2.883	70	20	CFID	
CC1(C)CCC[C@@H]1NC(=O)NCc1ncccc1F	159465702	UVPOBESPJJLMDA-LBPRGKRZSA-N	265.332	2.599	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1ccc(F)cc1	159669231	CHGJMUQRSSFDAU-HOCLYGCPSA-N	290.382	2.706	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CC1	159392135	HHYUABBEMPUVJU-JKSUJKDBSA-N	273.376	2.708	70	20	CFID	
c1cc2cn[nH]c2cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159586958	LEUBWPOXSTUWPG-IMJJTQAJSA-N	283.375	2.610	70	20	CFID	
CCSCC[C@H](C)NC[C@@H](O)COc1ccccc1C	160147339	UJJJNQLFGREYHH-LSDHHAIUSA-N	297.464	2.856	70	20	CFID	
CC1(O)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1	161303168	MECVJKYMJJNSHL-UHFFFAOYSA-N	287.281	2.692	70	20	CFID	
O=C(CCl)N[C@@H](c1ccccc1)C(F)(F)F	34395996	YJIDBVMDKNWZKX-VIFPVBQESA-N	251.635	2.645	70	20	CFID	
CNC(=O)c1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)ccn1	217725929	QGGLPTNJLSYQOL-GMXVVIOVSA-N	261.369	2.678	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H]1CCOC1	161108437	SVYZTDYCXYMZSR-JTQLQIEISA-N	292.766	2.896	70	20	CFID	
CN(CC1CCOCC1)c1nc2cc(F)ccc2o1	161261956	VOCUZJKQIINLMK-UHFFFAOYSA-N	264.300	2.830	70	20	CFID	
COc1ccc([C@H](C)[C@H](C)NC2CCN(C)CC2)cc1	161492818	GCHUCWTYHYSYKO-KGLIPLIRSA-N	276.424	2.871	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@@H]1CCOC1	160351371	HMWUXOIIDRTXNY-GHMZBOCLSA-N	267.756	2.803	70	20	CFID	
COc1cc(C(=O)N[C@H]2CCCc3sccc32)on1	160398090	VQTGPSQMVUETKL-VIFPVBQESA-N	278.333	2.552	70	20	CFID	
COC(=O)[C@H](CC(C)C)NC(=O)c1cc(F)c(C)cc1F	160446980	ILAMFAHNTZBLAL-ZDUSSCGKSA-N	299.317	2.591	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cc3ccccc3o1)CC2	160551017	RCLIFPCFYGOKSR-SMDDNHRTSA-N	296.374	2.998	70	20	CFID	
CCn1nc(C)c(NC(=O)c2cc(C)c(C)o2)c1C	160739783	NEQBIRQZISGAJO-UHFFFAOYSA-N	261.325	2.982	70	20	CFID	
COCCCN(C)C(=O)c1cc(C2CCCCC2)n[nH]1	160767163	LIGDSWJCAUJDCD-UHFFFAOYSA-N	279.384	2.566	70	20	CFID	
C[C@@H](c1ccc(F)cc1F)N(C)C[C@H](O)C1CC1	160868304	FSTUZWGBKGMRJY-XPTSAGLGSA-N	255.308	2.729	70	20	CFID	
C[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1cccnc1	159473113	SFZHJRWSYNKSTM-UKRRQHHQSA-N	288.391	2.793	70	20	CFID	
c1cc(N2CCC(NCCCC3CC3)CC2)ccn1	161488737	UXGUCIMWIGFKTR-UHFFFAOYSA-N	259.397	2.830	70	20	CFID	
CCN(CC(=O)NCc1ccc(F)cc1)CC(C)(C)C	160238017	RCFRBUXZXKTONT-UHFFFAOYSA-N	280.387	2.810	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1262732856	WZYWFLOJKANVFM-VHSXEESVSA-N	287.356	2.509	70	20	CFID	
CCCC[C@H](COC)NCCc1ccc2c(c1)OCO2	161134949	NOZGLUHYGVYEMQ-CQSZACIVSA-N	279.380	2.753	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)C[C@H](C)OC)o1	161298381	WUVYXMFDRCDGIW-WCQYABFASA-N	281.352	2.515	70	20	CFID	
CC(C)N(C(=O)c1cc2c(cc1F)NC(=O)CC2)C1CC1	160012317	SOECUMIOWLREAF-UHFFFAOYSA-N	290.338	2.723	70	20	CFID	
Cc1cc(C[C@@H](C)Nc2nc(C(C)(C)C)ns2)n[nH]1	160016232	OHWAORZCQOJGNQ-MRVPVSSYSA-N	279.413	2.910	70	20	CFID	
CCCC[C@@H](COC)NCc1cccc(C(=O)NCC)c1	160186248	HJTAFKWXPVKFTG-INIZCTEOSA-N	292.423	2.731	70	20	CFID	
CCCC1(CNC(=O)NCc2ncccc2F)CCC1	160300194	ZBGKJESWEAFALB-UHFFFAOYSA-N	279.359	2.990	70	20	CFID	
CC(C)c1cc(-c2nc(-c3ccccn3)no2)no1	160806715	PXEVYWRPFMHCRL-UHFFFAOYSA-N	256.265	2.910	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)c2cnccn2)C1	159600875	CMAKWIIQGCPQNZ-LLVKDONJSA-N	285.372	2.865	70	20	CFID	
COCCN(C)CCN[C@H](C)c1cc(C)c(F)c(C)c1	159427891	OYXYOXUWAHPYQE-CQSZACIVSA-N	282.403	2.671	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)N(C)C2CC2)cc1	159631633	XEWFSZWGBCFFKX-UHFFFAOYSA-N	290.363	2.808	70	20	CFID	
CCc1ccccc1NC(=O)NCCCNC(=O)C(C)C	159524991	IGWKLVKBIPXFKS-UHFFFAOYSA-N	291.395	2.533	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)c1Cl	159393640	GWUPBWIXHJBYIZ-KOLCDFICSA-N	297.786	2.811	70	20	CFID	
Nc1ccc2c(c1)CCC[C@H]2Nc1ncc(F)cn1	159513262	FHQDLFUKOAUBMG-CYBMUJFWSA-N	258.300	2.687	70	20	CFID	
CCCn1nccc1CNc1ccc(OC)c(OC)c1	159960156	GQEIRSUPDZESQO-UHFFFAOYSA-N	275.352	2.922	70	20	CFID	
CC(C)(C(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CC1	460090854	ISYYPQNTGCKXSN-UHFFFAOYSA-N	285.340	2.720	70	20	CFID	
c1cc(OCc2nccs2)cc(-n2ccnc2)c1	161363813	PLSIZICJONZPQU-UHFFFAOYSA-N	257.318	2.908	70	20	CFID	
Cc1ccc(CNCCNC(=O)OC(C)(C)C)c(C)c1	218117263	QUDFTAVBNADXLC-UHFFFAOYSA-N	278.396	2.918	70	20	CFID	
c1cc(CNC[C@H]2CCN(C3CC3)C2)c2[nH]ccc2c1	218104325	MWKSVXGQTJFVLH-CYBMUJFWSA-N	269.392	2.742	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)Cc1c(C)noc1Cl	161063021	QAZZMLVQYBOZON-YUMQZZPRSA-N	258.749	2.730	70	20	CFID	
CCCCc1noc([C@@H](C)N(CC)Cc2cnn(C)c2)n1	161120811	HAAIWLXKTAIQNJ-GFCCVEGCSA-N	291.399	2.729	70	20	CFID	
CS[C@H](C)CNC(=O)C[C@H](C)c1c(C)noc1C	161311795	HWQDUMUGCWOWGB-DTWKUNHWSA-N	270.398	2.653	70	20	CFID	
C[C@H](CC1CCCC1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160233085	WPKBAKGRBWFQHP-YUELXQCFSA-N	264.413	2.556	70	20	CFID	
Cc1ccc([C@H]2[C@@H](C)CCCN2S(C)(=O)=O)cc1	160338951	MWCONCKQIXQKHY-GXTWGEPZSA-N	267.394	2.728	70	20	CFID	
COc1ccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)cc1F	160569125	QIBZWZGZHZNYBT-JQWIXIFHSA-N	296.342	2.602	70	20	CFID	
Cc1ocnc1C(=O)N[C@H]1CCOC2(CCCCC2)C1	160710499	XYDAZCHVZXIAHO-LBPRGKRZSA-N	278.352	2.595	70	20	CFID	
CCC[C@H]1CN(C(=O)NCCc2cccc(C)c2)CCO1	160834435	NGJSUSLKYOQGNI-INIZCTEOSA-N	290.407	2.748	70	20	CFID	
C[C@@H]1C[C@@H](NC[C@@H]2CCc3ccccc32)CCN1C	160961209	IDLBDDNBOBRTMP-KBMXLJTQSA-N	258.409	2.789	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCSc2ccccc21	159804901	WEAHRQNZXXWCQL-GFCCVEGCSA-N	263.362	2.694	70	20	CFID	
CCCCNC(=O)Nc1ccn(CCC(C)C)n1	159911975	QSLHHBHOGJPJAV-UHFFFAOYSA-N	252.362	2.851	70	20	CFID	
CCOCCC1(CNC(=O)CC[C@H]2CCOC2)CCC1	159785238	JEENPBZKCPBCLI-AWEZNQCLSA-N	283.412	2.516	70	20	CFID	
COc1cc(N[C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1F	159953071	NQELQXUNNKDXGB-JTNHKYCSSA-N	266.360	2.975	70	20	CFID	
CNCCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160235734	HCSHYFHZSHUFJW-RRFJBIMHSA-N	266.429	2.661	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H](C)c1cc(F)ccc1F	159999509	TWEGJKWCEZIMMF-NSHDSACASA-N	284.350	2.778	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cc(OC)cc(OC)c1	217377257	QWZRBTFRKCNYFX-CYBMUJFWSA-N	280.412	2.524	70	20	CFID	
CCN(CCNc1cccc(Br)n1)C1CC1	218671720	JDDIIBPDMLNUQU-UHFFFAOYSA-N	284.201	2.740	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCOC2)o1	161228509	LYWPVRZODILGLE-JSGCOSHPSA-N	293.363	2.516	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccncc1O	161503669	GNQGLOXFTJSEOJ-UWVGGRQHSA-N	274.345	2.899	70	20	CFID	
CC[C@H](C)OCC(=O)N1C[C@H](C)Oc2ccc(C)cc21	160473748	NAJQYMDJHHOMPI-STQMWFEESA-N	277.364	2.924	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CO)CC1	160610802	CIRAMJTUBUJVIA-LBPRGKRZSA-N	295.810	2.750	70	20	CFID	
CC[C@H](NC(=O)[C@H]1CC[C@H](N)C1)C(C)(C)c1ccccc1	160761091	SMWVATUGSWCXSS-BPUTZDHNSA-N	288.435	2.986	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N[C@@H](C)[C@@H](CO)SC	160841948	GIOMRVAAZZQKKY-YNEHKIRRSA-N	290.473	2.614	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(-n2cccn2)nc1	160876919	WRVUTEZUXFKILA-WFASDCNBSA-N	270.336	2.642	70	20	CFID	
CCC[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1	159811359	HZOMLMNITPCLER-JSGCOSHPSA-N	280.799	2.783	70	20	CFID	
CC[C@H](C)C[C@@H](C)NC(=O)N1CCCN(CC)CC1	159920057	YATOMHLFGCRKBE-UONOGXRCSA-N	269.433	2.548	70	20	CFID	
Cc1cnc(NCc2cccc3cccnc23)nc1	159487631	ZWMRPFPCOWJRQI-UHFFFAOYSA-N	250.305	2.945	70	20	CFID	
O=S(=O)(F)c1cc(Cl)cc(Br)c1F	1887413837	BPKVERFQGXGIFO-UHFFFAOYSA-N	291.500	2.900	70	20	CFID	
C[C@@H]1CCC[C@H](N[C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1C	217950767	TXBIONRQVSABBY-HKCMKHECSA-N	278.371	2.766	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCN(C(C)C)CC1	161111466	MVDISTYJVZIEDS-UONOGXRCSA-N	292.448	2.713	70	20	CFID	
CCCCc1noc([C@H](C)N(CC)Cc2cnn(C)c2)n1	161120937	HAAIWLXKTAIQNJ-LBPRGKRZSA-N	291.399	2.729	70	20	CFID	
COC[C@H](NC(=O)C[C@H](C)c1ccncc1)c1ccco1	161213165	BAFQFBRLKGEQQU-JSGCOSHPSA-N	288.347	2.672	70	20	CFID	
C[C@H](C(=O)N[C@@H]1CCC[C@H](N)C1)c1ccc(Cl)s1	161229460	AGLJGRXZGWCXEN-LPEHRKFASA-N	286.828	2.891	70	20	CFID	
CCN(CC)[C@H](C)CNC(=O)[C@@H](C)c1ccsc1	160071509	AAGQRIGMRPXMLM-NEPJUHHUSA-N	268.426	2.698	70	20	CFID	
CCCOCC(=O)N[C@H]1CCCc2sccc21	160145901	VJSAPFIPNHADKU-NSHDSACASA-N	253.367	2.668	70	20	CFID	
Cc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1	160548171	WIWBNOMEQAFQGQ-DOMZBBRYSA-N	270.380	2.561	70	20	CFID	
CC[C@@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1	160776711	KMJCUJAUJFNLGP-WMZOPIPTSA-N	286.419	2.740	70	20	CFID	
c1ccn2c(CN3CC[C@@H](CN4CCCCC4)C3)cnc2c1	160796014	BTEWGCPFYSTOQP-INIZCTEOSA-N	298.434	2.642	70	20	CFID	
CCCS(=O)(=O)N[C@H](CC)c1ccc(F)cc1F	159632811	WPPCCKMCCDKTHL-GFCCVEGCSA-N	277.336	2.745	70	20	CFID	
C[C@@H](C(=O)N(C)C[C@@H]1CCCOC1)c1cccs1	159447843	QUESYHIHOUVZHI-NEPJUHHUSA-N	267.394	2.737	70	20	CFID	
Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)F)c1	1347808957	FVVQHVPZKXZODZ-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)C2(N)CCCCC2)cc1	161170873	YRHMZXRREYUIKV-AWEZNQCLSA-N	274.408	2.876	70	20	CFID	
CCOc1cccc([C@H](C)NCc2cn(C)nc2C)c1	161302771	QAYRWKOPYVZMRN-LBPRGKRZSA-N	273.380	2.978	70	20	CFID	
CCN(CC)C(=O)NCCOc1ccccc1Cl	160051948	BFMUFIPQNQWZLQ-UHFFFAOYSA-N	270.760	2.770	70	20	CFID	
C[C@@H](NC(=O)Nc1ccsc1)[C@@H](O)Cc1ccccc1	160077914	QKISVMKURDQJIF-RISCZKNCSA-N	290.388	2.862	70	20	CFID	
CC(=O)Nc1cccc([C@@H](C)NCC2(CO)CCCC2)c1	160102566	VLRVQOAQWUIAOP-CYBMUJFWSA-N	290.407	2.848	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1ccc(Cl)o1	160134759	HOWGNFVXSJWBAC-UHFFFAOYSA-N	265.696	2.611	70	20	CFID	
CC(C)CC1(CNC(=O)NCc2ncccc2F)CC1	160184974	MHINRJRVOBUUPD-UHFFFAOYSA-N	279.359	2.846	70	20	CFID	
Cn1ccnc1[C@@H](NC(=O)C1=CCCC1)c1cccc(F)c1	160209034	IHSYAYHFZWOJGN-HNNXBMFYSA-N	299.349	2.875	70	20	CFID	
CCc1ccc(O)c(C(=O)NCCc2cccc(O)c2)c1	160242094	UAHLIJKHAZATJV-UHFFFAOYSA-N	285.343	2.633	70	20	CFID	
Cc1[nH]c2ccccc2c1C(=O)NCC1(CO)CCCC1	160320696	PEZLKCJOAUJIQJ-UHFFFAOYSA-N	286.375	2.759	70	20	CFID	
CC[C@H](NC[C@@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160391403	OVWMEUDKTIKCOK-IRXDYDNUSA-N	292.471	2.971	70	20	CFID	
O=C(NCc1ccncc1)NCC1(Cc2ccccc2)CC1	160792928	SBXYXKFXVKRJDT-UHFFFAOYSA-N	295.386	2.904	70	20	CFID	
C[C@H](C(=O)N1CCC[C@H](N2CCCC2)C1)c1cccs1	159400053	ILNVKPPQXKUGCW-KBPBESRZSA-N	292.448	2.938	70	20	CFID	
COC(=O)[C@H](C)N(C)CCCOc1ccc(Cl)cc1	159440261	HYZDPWOLJGLOJY-NSHDSACASA-N	285.771	2.602	70	20	CFID	
CO[C@H]1CCCN(C(=O)Nc2ccnc(C)c2Cl)C1	159776305	JINDTZFVMLMYCW-JTQLQIEISA-N	283.759	2.686	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc([C@@H](CC)NC)n1	159958734	RTGPBSBEWGGSOB-CHWSQXEVSA-N	275.352	2.866	70	20	CFID	
CN(Cc1ccco1)C(=O)CN1CC[C@@H]2CCCC[C@@H]21	160567606	CFKRDSXMUPNUSI-ZFWWWQNUSA-N	276.380	2.503	70	20	CFID	
CC(C)S(=O)(=O)CCCN1C[C@@H](C)c2ccccc21	160858427	YIBHONWQJVKPOV-CYBMUJFWSA-N	281.421	2.823	70	20	CFID	
C[C@H]1CN(Cc2csc(C3CC3)n2)[C@H](C)CO1	161377060	RUIWAXOWYXTGFU-ZJUUUORDSA-N	252.383	2.630	70	20	CFID	
CSC[C@@](C)(O)CNCc1ccc(OC(C)C)cc1	217866074	BJYOVZWVZUIAAH-HNNXBMFYSA-N	283.437	2.677	70	20	CFID	
CCCCn1ncc(Nc2cc(Cl)nc(N)n2)c1C	161117193	NSVODUKSNJABBN-UHFFFAOYSA-N	280.763	2.761	70	20	CFID	
C[C@@H]1C[C@@H](NCC2(c3ccc(F)cc3)CC2)CCN1C	161350458	DEALMQKHRKFFKX-CJNGLKHVSA-N	276.399	2.930	70	20	CFID	
O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)[C@@H]1CC1(Cl)Cl	161499824	LCVLUQVXQDWEPA-RNJOBUHISA-N	296.197	2.882	70	20	CFID	
CCC(CC)c1cc(C(=O)N(C)Cc2cnn(C)c2)on1	160247918	RIHACSWIMXUZPO-UHFFFAOYSA-N	290.367	2.584	70	20	CFID	
CCN(CC(C)C)C(=O)Nc1ccn(CC(F)(F)F)n1	160298014	FJQQLRNONHWUAH-UHFFFAOYSA-N	292.305	2.955	70	20	CFID	
CC(C)OCCCNC(=O)C[C@H](C)c1ccncc1	160593232	SNLNJLLGESPFRR-ZDUSSCGKSA-N	264.369	2.507	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@@H]1CSc2ccccc21	160654243	KVMPMNICDLVPFW-CQSZACIVSA-N	286.400	2.873	70	20	CFID	
CC1(C)C[C@@H](NC(=O)N2CCc3ccccc32)CCO1	160781995	FIKWEPGZQOFEDM-ZDUSSCGKSA-N	274.364	2.716	70	20	CFID	
COc1ccc(NC(=O)N(C)CC2CCOCC2)cc1F	159474319	TVQAYUZGHQPIDV-UHFFFAOYSA-N	296.342	2.725	70	20	CFID	
CC1CCN(CCCNC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1	159943592	KAWJWKHPHZKLOS-CVEARBPZSA-N	295.471	2.796	70	20	CFID	
CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H]2CC)C1	159559188	ZVUHLOMCONTEFP-ZNMIVQPWSA-N	294.439	2.720	70	20	CFID	
Cc1noc(C)c1CN1CCO[C@]2(CCc3ccccc32)C1	159397738	KMHOGAGABGCWLT-GOSISDBHSA-N	298.386	2.965	70	20	CFID	
COc1cc(CCC(=O)NCc2ccc[nH]2)ccc1Cl	159788266	UTHXFXLLCNRLDE-UHFFFAOYSA-N	292.766	2.926	70	20	CFID	
CN(CCCCC(F)(F)F)C[C@@H]1CCC[C@@H]1O	159876014	BCHJNVDZRIDURB-QWRGUYRKSA-N	253.308	2.812	70	20	CFID	
CCN(CCCO)C(=O)c1cc2c(F)cccc2s1	160526286	PMGLFOQQHSJTFP-UHFFFAOYSA-N	281.352	2.885	70	20	CFID	
CC(C)COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1	217900115	YFIUJCKIWLOKJF-GDBMZVCRSA-N	291.391	2.612	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)[C@H](C)Sc1ccc(C)cc1	161305528	JXGRJSGMOBKKCS-KBPBESRZSA-N	292.448	2.686	70	20	CFID	
CCCn1c(C)nnc1COc1cccc(F)c1F	161320964	OMMSRJVKCSPMAP-UHFFFAOYSA-N	267.279	2.854	70	20	CFID	
CCc1nc(CNC2(c3noc(C)n3)CCCC2)cs1	161375755	IEMCUXLBFBLYDO-UHFFFAOYSA-N	292.408	2.956	70	20	CFID	
Cc1nc(C)c(C(=O)N(C)CCOCc2ccccc2)o1	161479931	RGKLYMOIKJFCEE-UHFFFAOYSA-N	288.347	2.580	70	20	CFID	
O=C(NC[C@H]1CCCS1)NCC1(C2CC2)CCC1	160174551	POKMPBHXBJKMJY-GFCCVEGCSA-N	268.426	2.762	70	20	CFID	
Cc1nn(C)c(NC(=O)C[C@H](C)c2ccncc2)c1C	160473919	DTPHHGGQHNJEGH-JTQLQIEISA-N	272.352	2.564	70	20	CFID	
CN[C@@H]1CCN(C(=O)CCCc2cc(C)sc2C)C1	160811393	XNQKENCNKJKFFT-CQSZACIVSA-N	280.437	2.508	70	20	CFID	
COCCC1(CNC(=O)N2CCc3ccc(C)cc32)CC1	160968333	DDGYTYTZESESNL-UHFFFAOYSA-N	288.391	2.884	70	20	CFID	
C[C@@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)c1ccsc1	159401876	TYXXHOMZEGNOSN-UKRRQHHQSA-N	292.448	2.938	70	20	CFID	
C[C@@H](CN[C@H](C)[C@@H]1CCOC1)N1CCc2sccc2C1	159852022	KEABZKZBYMNPRE-GZBFAFLISA-N	294.464	2.509	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)NCc2cnn(C)c2C)cc1	159955229	ROPPONWISWNUHF-LBPRGKRZSA-N	286.379	2.597	70	20	CFID	
CCc1nc(C(=O)NC[C@H](C)c2nc(C)cs2)co1	159769233	JJEOODDKMHVYFY-QMMMGPOBSA-N	279.365	2.535	70	20	CFID	
CC(=O)Nc1ccccc1CNC[C@H](O)c1ccsc1	160474706	OMLHNSZZJPBZFV-HNNXBMFYSA-N	290.388	2.530	70	20	CFID	
CCN(CCCO)C(=O)c1oc2ccc(F)cc2c1C	160446663	KEPHEECMALTQMZ-UHFFFAOYSA-N	279.311	2.725	70	20	CFID	
CC[C@@H](O)CCNCc1cccc(OC(F)(F)F)c1	217872199	GZMGUDVATZLZBL-LLVKDONJSA-N	277.286	2.836	70	20	CFID	
Cc1cc(NC(=O)C(C)(C)N)ccc1OCC(F)(F)F	161117826	NAFADSIFANOALI-UHFFFAOYSA-N	290.285	2.612	70	20	CFID	
Cc1cc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)ncn1	161374554	HCXAQNILJGEDPE-SNVBAGLBSA-N	291.301	2.896	70	20	CFID	
CCc1nc2c(s1)[C@@H](NC1CCN(C)CC1)CCC2	161476699	TYBKLXUZTOKXPB-LBPRGKRZSA-N	279.453	2.767	70	20	CFID	
COC[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)C1CC1	160098130	RPDWXHYPUVPTQW-GFCCVEGCSA-N	288.269	2.650	70	20	CFID	
CC[C@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1	160137267	FLUGNNWRICZIAR-HIFRSBDPSA-N	261.365	2.866	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)C(C)(C)C	160165891	NMYKCBWUSUCNQS-QWRGUYRKSA-N	257.374	2.517	70	20	CFID	
COCCCCCNC(=O)C[C@H](C)c1ccncc1	160277009	POCKHVSLHBGBJG-ZDUSSCGKSA-N	264.369	2.508	70	20	CFID	
C[C@@H](CCC(=O)NCc1ccc(O)nc1)c1ccccc1	160401573	FEOTVKVBIGZBFN-ZDUSSCGKSA-N	284.359	2.987	70	20	CFID	
CC[C@H](NC1CCN(C2CCCC2)CC1)c1cnn(C)c1	160459751	UTMUXWSJKAETQO-KRWDZBQOSA-N	290.455	2.868	70	20	CFID	
COc1ccc([C@@H](C)NCC(C)(C)O)cc1Cl	160606399	WLRDYXJDOFYCQK-SECBINFHSA-N	257.761	2.770	70	20	CFID	
CCO[C@H](CC)C(=O)Nc1cccc(OCCF)c1	160627699	ZLZISUJZOKVVPL-CYBMUJFWSA-N	269.316	2.789	70	20	CFID	
C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1	160887272	HQEFDRKEVWRYBG-RBSFLKMASA-N	293.455	2.691	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)C[C@@H]2CCCO2)c1C	159815608	BPGCZWGIIJWREP-ZDUSSCGKSA-N	294.399	2.634	70	20	CFID	
CC1(C)C[C@H]1C(=O)Nc1ccc(-n2ccnc2)c(F)c1	159875771	APWFSVOFQPVOPY-NSHDSACASA-N	273.311	2.996	70	20	CFID	
CCCCS[C@@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159763042	KIAPPUASLSVNFN-JTQLQIEISA-N	268.382	2.544	70	20	CFID	
C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)NC(C)(C)C	159714014	FZGFBHMPXJGROS-GVXVVHGQSA-N	278.396	2.796	70	20	CFID	
FC(F)(F)c1nnc(N[C@@H]2CCN3CCC[C@@H]3C2)s1	160343032	WNIAFHPCCMQTBM-HTQZYQBOSA-N	292.330	2.596	70	20	CFID	
C[C@@H](C1CC1)N(Cc1ccccc1)Cc1nncn1C	160778753	WEXBJXAZPPZMCJ-ZDUSSCGKSA-N	270.380	2.616	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@H]1C1CCCCC1	161500746	LNWCFLVEODSKMN-HNNXBMFYSA-N	287.469	2.856	70	20	CFID	
C[C@@H]1CCCC[C@H]1CNC[C@@H](O)COc1ccc(F)cc1	218430169	QIABJFBADZAYQE-IJEWVQPXSA-N	295.398	2.981	70	20	CFID	
CCC(CC)CNC(=O)N1CCC(CCN(C)C)CC1	160546261	FOMWHGBZHKJVNN-UHFFFAOYSA-N	283.460	2.796	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C12CCC(CC1)C2	460096151	WIYNCZOPJDNMBL-UHFFFAOYSA-N	297.351	2.864	70	20	CFID	
CC1(C)C[C@@H](NC(=O)NCCCc2ccccc2)CCO1	161014352	MGVKRFOGEKYBHS-HNNXBMFYSA-N	290.407	2.876	70	20	CFID	
COc1ccc([C@H](C)CC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	161022934	FNSIVWUVDSIBCG-VHDGCEQUSA-N	290.407	2.575	70	20	CFID	
CC[C@@H]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)C1	161464189	WUUABWYSGDORNX-QPSCCSFWSA-N	282.428	2.758	70	20	CFID	
Cc1n[nH]cc1CNc1ccc(C(F)(F)F)nc1	160072120	WDMHCZIUUGQAHM-UHFFFAOYSA-N	256.231	2.744	70	20	CFID	
OCC1(CNCc2cnn(-c3ccccc3)c2)CCCC1	160076452	OYHZGMRDFNMEKQ-UHFFFAOYSA-N	285.391	2.515	70	20	CFID	
CC[C@@H](C)NC(=O)CCNC(=O)C(C)(C)C1CCCC1	160228376	GHUDQJQABZGEQW-GFCCVEGCSA-N	282.428	2.624	70	20	CFID	
CC(C)OCC[S@](=O)c1ncc(C(C)(C)C)s1	160452596	XMIWEUUOPJXNBV-QGZVFWFLSA-N	275.439	2.973	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)C1(c2cccc(Cl)c2)CC1	160554045	AYUASHDYFVGYSU-AWEZNQCLSA-N	295.810	2.895	70	20	CFID	
Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1	160647162	UIWZTGMPPUJANJ-UHFFFAOYSA-N	253.348	2.522	70	20	CFID	
CC[C@@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	160666025	LDFFUPKZCXITPF-LLVKDONJSA-N	252.362	2.849	70	20	CFID	
CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC1(C)C	160941310	QAQMRFVRTBXSSH-AWEZNQCLSA-N	292.398	2.762	70	20	CFID	
CCCCCn1nc(C)c([C@@H](C)C(=O)OC)c1C	159855201	LBTLSBADFUERTH-SNVBAGLBSA-N	252.358	2.967	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)COc1cccc(C(C)=O)c1	159571285	VCUXDFRMXGETTA-XJKSGUPXSA-N	289.375	2.963	70	20	CFID	
CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1c(F)cccc1F	159726406	FDVRCHFKPCRMTN-WDEREUQCSA-N	284.350	2.776	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CCCC2	159800290	PIVAHXISPPSTHY-JQWIXIFHSA-N	261.369	2.597	70	20	CFID	
C[C@@H](CN(C)C)NCc1ccc(Cl)c2cccnc12	160340081	TVWDBHBMVPPJLX-NSHDSACASA-N	277.799	2.928	70	20	CFID	
CC[C@H](O)CN(Cc1ccccc1)C(=O)NC(C)(C)C	161090245	HPEYREXPVNUPIH-AWEZNQCLSA-N	278.396	2.768	70	20	CFID	
CC(C)c1nccc(N[C@@H](CO)CC(C)(C)C)n1	161405033	RQNXWWSGGFMICL-LLVKDONJSA-N	251.374	2.809	70	20	CFID	
CC(C)CCCOCCCCS(=O)(=O)Cl	114257941	YLUDLJRKTZXZKT-UHFFFAOYSA-N	256.795	2.788	70	20	CFID	
O=C(CCNCc1cccc2cc[nH]c12)N1CCCCC1	218116771	OSZLLQVTPQDYMK-UHFFFAOYSA-N	285.391	2.660	70	20	CFID	
COc1ccc([C@H](C)NC(=O)Nc2cccnc2)cc1	217264671	ZVDDIHRZXSKQGO-NSHDSACASA-N	271.320	2.973	70	20	CFID	
CC1(C)CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864243022	XGWWJWWCTSUNJT-LBPRGKRZSA-N	299.367	2.653	70	20	CFID	
O=S(=O)(Cl)CCOc1ccc2ccccc2c1	100455536	HCAFYYGEJAPIQS-UHFFFAOYSA-N	270.737	2.787	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCCC[C@@H]2C)c1	161041332	BQSWOOWUHFZSCX-VIFPVBQESA-N	282.365	2.941	70	20	CFID	
COc1cccc(F)c1[C@@H](C)NC(=O)C1(CN)CCCC1	161050511	ULYSOUWLJPMNNS-LLVKDONJSA-N	294.370	2.531	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cnn(C)c1	161320042	QLHJCGOEFANFLN-QWRGUYRKSA-N	261.350	2.532	70	20	CFID	
CCC[C@H](C(=O)N[C@@H]1CCc2ccccc21)N(C)C	161346193	SOAOSLCAZKTZQQ-HUUCEWRRSA-N	260.381	2.520	70	20	CFID	
Cc1nc(CN(C)C(=O)Cc2c(C)noc2Cl)cs1	161435481	AWFYNFJLNNQOLM-UHFFFAOYSA-N	299.783	2.602	70	20	CFID	
CNC(=O)c1ccc(OC)c(NC[C@H]2C[C@H]3C=C[C@H]2C3)c1	160274952	FLYXPXLCVGHQOR-SGMGOOAPSA-N	286.375	2.679	70	20	CFID	
COCc1cc(NC(C)(C)CC(C)(C)C)n2ncnc2n1	160437082	QPZJDXQNEDNVMW-UHFFFAOYSA-N	291.399	2.897	70	20	CFID	
CC(C)N(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CC1	160473749	IZZSHXYKJPODII-JSGCOSHPSA-N	266.385	2.526	70	20	CFID	
CCC(N)(CC)CNC(=O)c1ccccc1OCC1CC1	160494445	NUPRAGGSLKRQFV-UHFFFAOYSA-N	290.407	2.723	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)NCC[C@H](O)CC	160634906	TZHIZLBRZDHZPB-CHWSQXEVSA-N	258.406	2.663	70	20	CFID	
CCc1ccsc1C(=O)N(C)Cc1cccn1C	160795524	KOOHQUNPUBKTCR-UHFFFAOYSA-N	262.378	2.921	70	20	CFID	
CCc1ccc([C@H](CO)Nc2ccc3nccnc3n2)cc1	160919998	VHMMOUKEZNNSIZ-HNNXBMFYSA-N	294.358	2.733	70	20	CFID	
COc1cc(NC(=O)C[C@H](C)SC)ccc1NC(C)=O	159849458	MPDOFHCZPDXKEW-VIFPVBQESA-N	296.392	2.734	70	20	CFID	
Cn1ccc(NC(=O)Nc2cc(F)ccc2Cl)n1	159450121	QUPCMVPLIRUEFB-UHFFFAOYSA-N	268.679	2.857	70	20	CFID	
COc1cccc(-c2nc(C(=O)N[C@H](C)C3CC3)c(C)[nH]2)c1	159702999	NHZGZOPUNLNMHD-SNVBAGLBSA-N	299.374	2.922	70	20	CFID	
CN(Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[C@@H]1O	159712245	UEPJMGYCZFBVDC-OCCSQVGLSA-N	285.334	2.881	70	20	CFID	
O=C(NCCCCCOC1CCCCC1)[C@H]1CCCNC1	159534449	HUNKVWGNWJSXDU-HNNXBMFYSA-N	296.455	2.622	70	20	CFID	
Cc1cc(NC(=O)c2coc3ccccc23)c[nH]c1=O	159564040	CTLFKKLGUKLWHV-UHFFFAOYSA-N	268.272	2.682	70	20	CFID	
Cc1ccccc1[C@H](C)N[C@H](C)CO[C@@H]1CCOC1	159779144	NLDJWFGJSNZYPZ-QLFBSQMISA-N	263.381	2.840	70	20	CFID	
CCNCCNCc1cccc(Br)c1Cl	161306728	AVPWCKIYHCGYGU-UHFFFAOYSA-N	291.620	2.802	70	20	CFID	
CC/C(C)=C/C(=O)Nc1cccc(S(=O)(=O)F)c1	460096489	XMWUIIJQQQRDEG-VQHVLOKHSA-N	271.313	2.640	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1ccc(OC)c(F)c1	217396254	FZIXGLKLCFIGTO-GFCCVEGCSA-N	268.376	2.654	70	20	CFID	
CCCCn1ncc(C(=O)N[C@@H](C)c2ccccn2)c1C	161000610	MGYHKGMGDSYFRE-LBPRGKRZSA-N	286.379	2.878	70	20	CFID	
CCc1ccc([C@H](C)C(=O)N[C@H](CO)CC(C)C)cc1	161161135	NXODAWQVDCECMK-BBRMVZONSA-N	277.408	2.876	70	20	CFID	
Cn1cc(NC(=O)C[C@@H]2CCCCC2(C)C)ccc1=O	160095786	YTHMZQAWMCHPTM-LBPRGKRZSA-N	276.380	2.930	70	20	CFID	
COC[C@@H]1CCCN(C(=O)[C@@H](C)c2cccs2)C1	160206346	DVEFCYLFNHDTJW-NWDGAFQWSA-N	267.394	2.737	70	20	CFID	
CCCCOCCCNC1CCN(c2ccncc2)CC1	160248319	BRFKAQWNWFEKMM-UHFFFAOYSA-N	291.439	2.847	70	20	CFID	
CS[C@@H](C)CC(=O)NC[C@H](c1ccc(F)cc1)N(C)C	160480945	PMHJEEWGWXVNHL-SMDDNHRTSA-N	298.427	2.686	70	20	CFID	
CS[C@H](C)CC(=O)N1CCN(CCC(C)(C)C)CC1	160718536	XDHMKKXIZKPOFJ-CYBMUJFWSA-N	286.485	2.708	70	20	CFID	
CC(C)C1(CNC(=O)[C@H]2CCCCCC[C@@H]2N)CC1	160819258	PYSFQGYUXARZOU-KBPBESRZSA-N	266.429	2.837	70	20	CFID	
CCn1ccnc1CN1C[C@H](C)O[C@H](c2ccccc2)C1	160850661	FYUOQVVRVWMFBW-HOCLYGCPSA-N	285.391	2.865	70	20	CFID	
C[C@@H](N[C@@H](CCCO)c1ccccc1)C1CCN(C)CC1	160903686	MBFGPCLDKZLTNE-QAPCUYQASA-N	290.451	2.820	70	20	CFID	
CC(C)c1ccc(C(=O)OC[C@H]2CCCCO2)cn1	159619619	HRPKQPZFFODWLW-CYBMUJFWSA-N	263.337	2.931	70	20	CFID	
COC[C@@H](NC(=O)NC1(C)CCC(C)CC1)C1CC1	159431236	PLHXGYHCENXWLB-GLWUULTISA-N	268.401	2.679	70	20	CFID	
CCC(C)(CC)C(=O)N[C@H]1CCN(c2ccccn2)C1	159369304	OMMFDFATBPDFAT-ZDUSSCGKSA-N	275.396	2.603	70	20	CFID	
C[C@@H](NC(=O)C1=CCCCC1)C(=O)OCc1ccccc1	216632178	BIGOROSRJHQZAH-CYBMUJFWSA-N	287.359	2.735	70	20	CFID	
CCN(CCCO)C(=O)CC12CC3CC(CC(C3)C1)C2	160487484	PPHPYWRBSSTMEZ-UHFFFAOYSA-N	279.424	2.824	70	20	CFID	
COc1ccc2c(c1)[C@@H](S(=O)(=O)Cl)CCC2	261321583	IYYJLTMPWHIALG-NSHDSACASA-N	260.742	2.641	70	20	CFID	
CC1(C)CC(C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	808732338	JKBAJGZIMPTYQT-UHFFFAOYSA-N	285.340	2.720	70	20	CFID	
O=C([C@H]1CCCNC1)N1CC2(CCCC2)c2ccccc21	161013890	KPIFFNZXXBBQHU-AWEZNQCLSA-N	284.403	2.845	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1nnc(C(F)(F)F)s1	161021936	SQWBGCPOXYARTI-ANLVUFKYSA-N	279.287	2.932	70	20	CFID	
CCCC[C@H](NCc1cc(F)ccc1C)C(=O)OC	161045035	GCEGHBYMKURVLY-AWEZNQCLSA-N	267.344	2.956	70	20	CFID	
CCCC(O)(CCC)CC(=O)N[C@H](C)C[C@H]1CCCO1	161147866	KFFVIEOBDGQTIT-ZIAGYGMSSA-N	285.428	2.782	70	20	CFID	
Cc1cc(C(=O)Nc2ccc(Cl)cc2F)ncn1	161177803	KASKAFNZEHSDDS-UHFFFAOYSA-N	265.675	2.830	70	20	CFID	
CCCN(CCO)Cc1ccc(OCC(C)C)cc1	161210820	FEDJWLAGVFEFSQ-UHFFFAOYSA-N	265.397	2.926	70	20	CFID	
CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCOC1	161344418	QPYSLWNVRQEYOC-JTQLQIEISA-N	285.796	2.971	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)NCCC(=O)OC(C)C	160048738	WVXWZNFVKXIKMS-AWEZNQCLSA-N	299.411	2.572	70	20	CFID	
NC[C@H]1CCCN1C(=O)/C=C/c1cccc2ccccc12	160154825	QBXCABYBEPPXOU-SIFUEBAJSA-N	280.371	2.803	70	20	CFID	
CCc1nsc(N2CCC[C@H]2CN2CCCCC2)n1	160443716	QTRLCDRLFZVJBK-LBPRGKRZSA-N	280.441	2.555	70	20	CFID	
CCO[C@@H]1CCCN(Cc2c(C)nc3ccccn23)C1	160528560	DVLADUOVBUAMRE-CQSZACIVSA-N	273.380	2.644	70	20	CFID	
Cn1cnnc1CN1CCC[C@H]1c1nc2ccccc2s1	160687637	DOOBHVVBEJMNHZ-LBPRGKRZSA-N	299.403	2.762	70	20	CFID	
CCN(Cc1nccn1C)c1ccc(F)c(F)c1	160821801	OQQBZQKUELOYQP-UHFFFAOYSA-N	251.280	2.725	70	20	CFID	
CC[C@H]1CN(c2nc(C(C)(C)C)ns2)C[C@H](C)O1	159425583	UQFGLYHXOJLXFE-UWVGGRQHSA-N	269.414	2.839	70	20	CFID	
COCc1ccccc1NC(=O)NC[C@@H](C)SC	159871098	GNIOWMAINWAHHN-SNVBAGLBSA-N	268.382	2.706	70	20	CFID	
C[C@H]1CCC[C@@H](N(C)C(=O)CNC(=O)CC2CCCC2)C1	159910146	WEWBNLZCLXPRLW-DZGCQCFKSA-N	294.439	2.720	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@H]2C(C)(C)O)c1Cl	159947672	UPRXNGAXLFRNEX-NSHDSACASA-N	297.786	2.811	70	20	CFID	
Cc1cc(C)n(CCCNC(=O)N2CC[C@@H](C)[C@@H](C)C2)n1	159751150	SHXIWJXNDRKVCB-OLZOCXBDSA-N	292.427	2.578	70	20	CFID	
CNCC(=O)Nc1cccc(Cl)c1SCC(F)F	159589464	BICGQEIMZQRZPI-UHFFFAOYSA-N	294.754	2.855	70	20	CFID	
C[C@@H](NCCCCS(C)(=O)=O)c1ccccc1Cl	161192581	OWMSRXBRQKOUEN-LLVKDONJSA-N	289.828	2.815	70	20	CFID	
CC(C)COCCCCCCS(=O)(=O)Cl	112155193	OEISHNMYHLNHHO-UHFFFAOYSA-N	256.795	2.788	70	20	CFID	
CCCCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318384	SIIOUHUUNGHXPC-UHFFFAOYSA-N	291.319	2.754	70	20	CFID	
Cc1cc(CNCC2C3CC4CC(C3)CC2C4)n[nH]1	216850273	IPLRUIUWFQKCIE-UHFFFAOYSA-N	259.397	2.880	70	20	CFID	
COc1ccccc1CCNc1nc(C)cnc1C	217523904	JQXNIPFCYPYFAM-UHFFFAOYSA-N	257.337	2.757	70	20	CFID	
CCCC[C@H](NCc1cc(F)c(F)cc1F)C(=O)OC	161043210	DLPQGEWENVFZPS-ZDUSSCGKSA-N	289.297	2.925	70	20	CFID	
COc1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc(OC)c1O	161411558	SJILLBNCOHVYKR-PWSUYJOCSA-N	293.363	2.718	70	20	CFID	
C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCNC2)C1	160104991	GASXAMSDLHFEPT-QAPCUYQASA-N	286.419	2.566	70	20	CFID	
NC[C@@H]1CCCN1C(=O)c1ccc(SC(F)F)cc1	160273907	SOOYDUUGVWCZEJ-JTQLQIEISA-N	286.347	2.565	70	20	CFID	
CC[C@H](CN[C@H](COC)C1CC1)Oc1ccccc1F	160342569	ZCGSHYWUJKXKFZ-UKRRQHHQSA-N	281.371	2.998	70	20	CFID	
CS[C@H](C)CC(=O)NCc1ccn(-c2ccccc2)n1	160553379	DDCMKWITSMVQNX-GFCCVEGCSA-N	289.404	2.630	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)CCc1nnc[nH]1	160905811	QYJKRYSMIXFJOV-UHFFFAOYSA-N	290.392	2.877	70	20	CFID	
C[C@H](CCn1cccn1)Nc1ccc2c(c1)OCCO2	159415933	SNJXUDXDUFJSTA-GFCCVEGCSA-N	273.336	2.545	70	20	CFID	
CC(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)CC1	159463924	KLTFRFYVGYYPJU-OLZOCXBDSA-N	268.401	2.633	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H](C)c2ccc(C)cc2)CC1	159707012	RBWBVTCWQKTFDY-HNNXBMFYSA-N	289.423	2.793	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CCCc2occc21	159741642	UIBJKZHPCJUVLZ-MPKXVKKWSA-N	275.348	2.779	70	20	CFID	
CCO[C@H]1C[C@@H](NC(=O)c2ccnn2C(C)C)C12CCC2	159756232	RPMYDLQWIDSIQO-KGLIPLIRSA-N	291.395	2.542	70	20	CFID	
C1CC[C@@H](c2noc(CC[C@@H]3CCCNC3)n2)SC1	160644056	ODZOFKHJLPNLGE-RYUDHWBXSA-N	281.425	2.960	70	20	CFID	
CNC[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C1	161202073	KOSUPCPTMYLNBB-JTQLQIEISA-N	292.379	2.722	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)C(CC)(CC)CN)C12CCCC2	161235458	CPOPBVSPAWYIAW-UONOGXRCSA-N	296.455	2.606	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1Cc1cnn(C(C)(C)C)c1	161283192	ILFYCEIHFCNBRC-CQSZACIVSA-N	293.411	2.556	70	20	CFID	
CC(C)c1nnc(CNc2nc(C(C)(C)C)ns2)n1C	160292586	HDPLNXWDWVZOFR-UHFFFAOYSA-N	294.428	2.700	70	20	CFID	
Cc1ccc(C)c(OCCCCC(=O)N(C)[C@H](C)CO)c1	160413705	KPEQTZKYXYZNAE-OAHLLOKOSA-N	293.407	2.692	70	20	CFID	
Cc1noc(C)c1[C@@H](C)NC(=O)N(C)Cc1cccn1C	160545020	WGEFJGZJVILTIL-SNVBAGLBSA-N	290.367	2.533	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)c1ccc(C)cc1	160679483	PYQCDLXFVALHFB-CYBMUJFWSA-N	291.391	2.731	70	20	CFID	
COc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1O	160734833	DKZYRNRYCVDLRJ-PHIMTYICSA-N	293.363	2.528	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)C1(c2cccc(F)c2)CCC1	160790914	LKPICROPZCWOND-OAHLLOKOSA-N	293.382	2.771	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)N[C@@H](C)C2CCC2)c1	159821176	SAVABEASFLOXEI-JTQLQIEISA-N	275.352	2.955	70	20	CFID	
Cc1cccc(-c2cncc(C(=O)N3CCC[C@@H](O)C3)c2)c1	159823870	RTDJXUQDGXUHTI-QGZVFWFLSA-N	296.370	2.654	70	20	CFID	
CCC[C@@](C)(O)C(=O)NC[C@@H](OC)c1ccccc1Cl	159442499	DMCLVOJGLCURPA-UKRRQHHQSA-N	299.798	2.695	70	20	CFID	
CC(C)OC1CCC(NC(=O)[C@H]2CC23CCOCC3)CC1	159443522	RMCWEXACCKFDKS-YMAMQOFZSA-N	295.423	2.656	70	20	CFID	
CCOC(=O)c1c(C)[nH]c(C(=O)N2[C@H](C)CC[C@H]2C)c1C	161406700	ZTPQLDBUEJRIQV-NXEZZACHSA-N	292.379	2.821	70	20	CFID	
Cc1ccc(CC(=O)NCCCSCC(C)C)cn1	160808290	QJMUSUQBZQDLSA-UHFFFAOYSA-N	280.437	2.828	70	20	CFID	
C[C@H](CCC1CCCCC1)NC(=O)[C@H]1CSCN1	160913792	FWWGWSUTEURFMA-DGCLKSJQSA-N	270.442	2.514	70	20	CFID	
CCCOCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159426387	RYSWXLMJGSKUOW-HOCLYGCPSA-N	291.391	2.697	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1c(F)cccc1F	159912184	XAJXOOVHBLWWIJ-UHFFFAOYSA-N	286.322	2.885	70	20	CFID	
C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)N(C)Cc1cccnc1	159923484	MFDHADUDJKXYMP-QLFBSQMISA-N	289.423	2.691	70	20	CFID	
O=C(Nc1ccccc1O)c1ccn(C2CCCC2)n1	159575184	AQAIXYAIAICPHS-UHFFFAOYSA-N	271.320	2.956	70	20	CFID	
COC(C)(C)CNC[C@@H](O)c1cccc(C(F)(F)F)c1	160248651	HZQDPMGEGZSASB-GFCCVEGCSA-N	291.313	2.753	70	20	CFID	
Cn1c(CN[C@H]2CCOC(C)(C)C2)nc2ccccc21	160524758	AEHLIEYHXWMMQS-LBPRGKRZSA-N	273.380	2.621	70	20	CFID	
COCc1noc(COc2ccccc2Br)n1	160854613	LDPUVMDLPQEOFC-UHFFFAOYSA-N	299.124	2.558	70	20	CFID	
CCNCC1CCN(C(=O)c2ccnc3ccccc23)CC1	161097963	WLWKUJIPUODXPS-UHFFFAOYSA-N	297.402	2.697	70	20	CFID	
CC(=O)NC(C)(C)c1noc(-c2cc(F)c(F)cc2F)n1	161351520	ZJHVYVXRBDGTLB-UHFFFAOYSA-N	299.252	2.525	70	20	CFID	
CN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCCO1	160049741	AWAPSYUGZLPXHW-SNVBAGLBSA-N	273.785	2.929	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1cc(F)cc(F)c1)CC2	160456619	CIIWJYHUSVXHPK-YMTOWFKASA-N	292.333	2.530	70	20	CFID	
Cc1occc1C(=O)N(C)c1ccc2c(c1)OCO2	160634463	AFUVITIEUDEZRB-UHFFFAOYSA-N	259.261	2.593	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCS1	160652492	CEQXXGCMKOYKRC-QWHCGFSZSA-N	283.437	2.880	70	20	CFID	
CC1=C(C(=O)N2CCc3ccc(F)cc3C2)CCCO1	160663910	QZPYIOCCUUOQOE-UHFFFAOYSA-N	275.323	2.795	70	20	CFID	
CCCCc1nnc(NC(=O)C[C@@H](C)SC)s1	160750940	VOKUINUTYMTMLV-MRVPVSSYSA-N	273.427	2.961	70	20	CFID	
CC(C)c1cc(=O)n(Cc2cc(-c3ccco3)on2)cn1	160868434	MJQVWWYMFABTDB-UHFFFAOYSA-N	285.303	2.663	70	20	CFID	
CCCOc1ccc(CNC(=O)NC2(C)CCC2)cn1	160974005	AEKLBMOGPJPUTF-UHFFFAOYSA-N	277.368	2.612	70	20	CFID	
Cc1cccc([C@H](O)CNC(=O)c2ccc(C(C)C)nc2)c1	160984228	CXCZYEJUDKACHM-QGZVFWFLSA-N	298.386	2.977	70	20	CFID	
CCC[C@@H](C(=O)Nc1cn(C)c(=O)cc1C)C(C)C	159960561	ZABDULLJICEDIS-GFCCVEGCSA-N	264.369	2.705	70	20	CFID	
CCCOc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1	159775673	QJRICFKTPBDEEY-ZDUSSCGKSA-N	299.374	2.873	70	20	CFID	
c1cnc2c(CSCCN3CCOCC3)cccc2c1	159976133	SMMMQERAELRCMT-UHFFFAOYSA-N	288.416	2.800	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1	159792963	WDEDWESAYOBUTK-MQYQWHSLSA-N	281.396	2.661	70	20	CFID	
Cc1cccc(N)c1C(=O)OC[C@H]1CCC(C)(C)O1	160781550	QYXGPUGUYPDXRE-LLVKDONJSA-N	263.337	2.692	70	20	CFID	
CCN(CCCCS(C)(=O)=O)Cc1ccccc1C	161428486	ZHVOBFQLDFYGRY-UHFFFAOYSA-N	283.437	2.642	70	20	CFID	
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185106060	QMJLPAYZQNRSAN-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H](C)c1ccccc1F	159991143	ZULVXPYIIGBWAB-LBPRGKRZSA-N	266.360	2.639	70	20	CFID	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)Nc1ccc(S(=O)(=O)F)cc1	460088722	CZFXLRUXEKMDAU-GBIKHYSHSA-N	297.351	2.720	70	20	CFID	
C[C@H](N(C)C(=O)c1cccc(S(=O)(=O)F)c1)C1(C)CC1	1336948819	BATNNSGFGYAMFP-JTQLQIEISA-N	299.367	2.605	70	20	CFID	
O=C(NCc1ccc(CO)cc1)Nc1ccccc1	217305937	DYRPRHXECAJLGR-UHFFFAOYSA-N	256.305	2.501	70	20	CFID	
COc1ccc(NCc2nnc3n2CCCC3)cc1Cl	217317430	JBUWYEKMIWAUEF-UHFFFAOYSA-N	292.770	2.889	70	20	CFID	
C[C@H]1CCC[C@H](CNc2nnnn2-c2ccccc2)C1	217922169	LXFPRDFAAGPZJA-STQMWFEESA-N	271.368	2.901	70	20	CFID	
CC1(C)CCC(CC(=O)NCCn2cccn2)CC1	161023780	ABOWVGUTGQWQFV-UHFFFAOYSA-N	263.385	2.606	70	20	CFID	
CCCN(Cc1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1	161116236	RWISZAABYPYJOC-AWEZNQCLSA-N	299.411	2.533	70	20	CFID	
CC(=O)NC1CCC(Nc2cccc(F)c2C)CC1	161134965	IZSQARSPACBELX-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
Nc1nc(CSCCCF)nc2ccccc12	161184799	KCVQYNOGDZBIKF-UHFFFAOYSA-N	251.330	2.805	70	20	CFID	
Cc1nc(CC(C)C)c(C(=O)N[C@H]2CCC[C@H](N)C2)s1	161411673	FWSKQTUIMURQPB-RYUDHWBXSA-N	295.452	2.650	70	20	CFID	
COc1ccc(OC)c(CCN[C@H](C)C2CCOCC2)c1	161440343	JAWRONASXUWSSM-CYBMUJFWSA-N	293.407	2.651	70	20	CFID	
CCOCCC1(CNC(=O)c2cncc(C)c2)CCC1	160098868	CQVGYJYMQOVLAE-UHFFFAOYSA-N	276.380	2.717	70	20	CFID	
CCc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1	160332578	ZIPOWMFLYRODMU-LRDDRELGSA-N	284.407	2.815	70	20	CFID	
CC[C@H](C)OCC(=O)NCCCCN(C)c1ccccc1	160582803	QFVOYTYYCMWYFI-HNNXBMFYSA-N	292.423	2.834	70	20	CFID	
CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1	160676521	NZIURZZQIUNICW-KZNAEPCWSA-N	294.398	2.764	70	20	CFID	
CC[C@H](NC(=O)C[C@@H]1CCCCO1)c1c(C)noc1C	160722675	OYOFPEWRHBDULV-STQMWFEESA-N	280.368	2.818	70	20	CFID	
Cc1noc([C@@H]2COCCN2CC[C@@H]2CCC[C@H](C)C2)n1	160864146	HZFYISALPZKOFT-QEJZJMRPSA-N	293.411	2.968	70	20	CFID	
O=C(Cc1cc2c(ccc3ccccc32)o1)N1CCOCC1	159869813	IQVUBAROPMMLQR-UHFFFAOYSA-N	295.338	2.987	70	20	CFID	
Cc1cc(NC(=O)[C@@H](C)c2cccc(F)c2)c[nH]c1=O	159479015	NHBRZOZTBPENTF-JTQLQIEISA-N	274.295	2.565	70	20	CFID	
CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCSC1	159384148	BQMRGEYIBDXUIP-SECBINFHSA-N	272.320	2.934	70	20	CFID	
Cc1nc(COC(=O)CC[C@H]2CCCO2)c(C)s1	159972207	HSKDELVXRAPULW-LLVKDONJSA-N	269.366	2.762	70	20	CFID	
O=C(NC[C@@H]1CCCCN1)c1cc2ccc(F)cc2s1	161198191	RVAHFDGNWBWFJD-LBPRGKRZSA-N	292.379	2.912	70	20	CFID	
Cc1cc(C)c(CNC(=O)[C@@]2(C)CCCNC2)c(C)c1	161356160	QAZKBCUJFKJJEO-KRWDZBQOSA-N	274.408	2.618	70	20	CFID	
Cc1cc(F)ccc1OCC(=O)NCc1ccccc1	160721506	OXXUQXFAZVHEOL-UHFFFAOYSA-N	273.307	2.829	70	20	CFID	
COc1ccc(CN(C)Cc2ccc(C)o2)cc1O	160855795	YWEPEEUQXDLOJR-UHFFFAOYSA-N	261.321	2.934	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1C[C@H](C)OC[C@@H]1C	161133906	GTKDOQQWEDYUDV-CYDGBPFRSA-N	279.405	2.796	70	20	CFID	
Cc1ccccc1-n1c(C)nnc1SCc1ccnn1C	161188761	QRVXQKHOSQEMQD-UHFFFAOYSA-N	299.403	2.910	70	20	CFID	
Cc1conc1NC(=O)C(=O)Nc1ccc(C(C)C)cc1	160087974	FLCWNGGWLGNZHV-UHFFFAOYSA-N	287.319	2.684	70	20	CFID	
C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCCN2)C1	160101517	FMMPMSHSWKMAOQ-WMZOPIPTSA-N	286.419	2.709	70	20	CFID	
Cc1cnccc1CCNC(=O)NC[C@H]1CC=CCC1	160115946	VCXIMHTYUCRMDX-AWEZNQCLSA-N	273.380	2.588	70	20	CFID	
Cc1cccc([C@H]2CCCN2CCOCC2CC2)n1	160241152	OODFEBGCQCCXIL-MRXNPFEDSA-N	260.381	2.954	70	20	CFID	
O=C(Nc1ccn(CC(F)(F)F)n1)N1CCCCCC1	160314120	DCJLAAPRZVCMKZ-UHFFFAOYSA-N	290.289	2.853	70	20	CFID	
CC(C)C[C@@H]1COCCN1Cc1cnc2ccccn12	160412494	ZLQRNLQITYYQQY-CQSZACIVSA-N	273.380	2.581	70	20	CFID	
CN(Cc1cccn1C)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2	160429219	KONXHLLDWPPIFB-MCIONIFRSA-N	260.381	2.810	70	20	CFID	
CSC[C@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160627641	ZERPNEKQVYZGQT-QWHCGFSZSA-N	285.453	2.984	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)[C@H](C)CCc1cccc(F)c1	160721828	MUBMMTRJPUZBKQ-CZUORRHYSA-N	295.398	2.918	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160807600	HXCUAMYZISXFQY-OAHLLOKOSA-N	293.455	2.835	70	20	CFID	
COCCCOc1cccc(NC(=O)NOCC(C)C)c1	160824575	QMDYCSWCTBZGOI-UHFFFAOYSA-N	296.367	2.811	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCC[C@H](C)C1	159451569	BSMJEOGBVZFMLJ-VHSXEESVSA-N	283.803	2.944	70	20	CFID	
O=C(O[C@@H](c1ccccn1)C(F)(F)F)C1CCOCC1	159850472	GBIPEDZJKCIEDW-NSHDSACASA-N	289.253	2.655	70	20	CFID	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CCCCCCN	159665900	LUOFDYQWSZKDIL-GDBMZVCRSA-N	298.471	2.853	70	20	CFID	
CCc1noc(C)c1CNc1c(C)cccc1C(N)=O	159472782	MMFDJVNORWUCDY-UHFFFAOYSA-N	273.336	2.565	70	20	CFID	
CCOCCCNC(=S)NCCCCC(F)(F)F	159478118	WRXUJNZZNJDYSG-UHFFFAOYSA-N	286.363	2.610	70	20	CFID	
Cc1nccc(NC(=O)NC[C@@]2(C)CCCO2)c1Cl	159926224	DETBSMQDEZDFLB-CYBMUJFWSA-N	283.759	2.734	70	20	CFID	
CCC(CC)CNC(=O)N(C[C@H]1CCOC1)C1CC1	160556622	YSJFBADXDVHILB-CYBMUJFWSA-N	268.401	2.633	70	20	CFID	
COCCC1(CNC(=O)N(C)[C@@H](C)C2(C)CC2)CC1	161092767	PCEQIUWVNIJHQP-LBPRGKRZSA-N	268.401	2.633	70	20	CFID	
CCc1ncc(NC(=O)N2CCC(CC)CC2)cn1	161155442	BOAUWURRMPNAMJ-UHFFFAOYSA-N	262.357	2.693	70	20	CFID	
CCOc1ccc(Cl)cc1CCN[C@@H](C)COC	160007062	AAQCFFGZZZCKIC-NSHDSACASA-N	271.788	2.906	70	20	CFID	
CC[C@H](NC(=O)c1ccnn1C(C)C)c1c(C)noc1C	160042618	IJHVTIZPCGBOPN-LBPRGKRZSA-N	290.367	2.950	70	20	CFID	
CCc1noc(C)c1CSCC(=O)N[C@H](C)C(C)C	160075976	AOZPDCOVUNANLK-SNVBAGLBSA-N	284.425	2.939	70	20	CFID	
CC[C@@H](C)n1ncc2c(C(=O)Nc3cn[nH]c3)cc(C)nc21	160127919	LEYUIOLRXYTQQF-SNVBAGLBSA-N	298.350	2.686	70	20	CFID	
CCC(CC)n1ncc(C(=O)Nc2nncs2)c1C	160242019	AEDXPLHMXHYPDF-UHFFFAOYSA-N	279.369	2.656	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1ccncc1	160261915	MKSYFRPPXCUFIU-UHFFFAOYSA-N	281.359	2.894	70	20	CFID	
CC[C@@H](COC)NC(=O)[C@H](CC)c1ccc(F)cc1	160279952	MAGSPHRCONUJES-UONOGXRCSA-N	267.344	2.861	70	20	CFID	
Cc1nc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc(C2CC2)n1	160328682	DJHFPJSZORRCHA-NWDGAFQWSA-N	257.337	2.647	70	20	CFID	
Cc1ccc([C@H]2[C@H](C)CCCN2S(C)(=O)=O)cc1	160338665	MWCONCKQIXQKHY-TZMCWYRMSA-N	267.394	2.728	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](CC)C(C)C	160650605	ISYQFYCHSSGJGX-NEPJUHHUSA-N	257.374	2.517	70	20	CFID	
CCOCCC1(C(=O)Nc2cccc(F)n2)CCC1	160890823	HMZCMJMZQNUHIB-UHFFFAOYSA-N	266.316	2.756	70	20	CFID	
CC(C)CN(CC(N)=O)C(=O)c1ccc(C(C)(C)C)cc1	159824290	RESVKSHFYOWAPQ-UHFFFAOYSA-N	290.407	2.568	70	20	CFID	
CN(C)c1cccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	159548280	SHYXCDPNTMPWFD-OKZBNKHCSA-N	292.382	2.821	70	20	CFID	
CC(C)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	159948466	WBIRLSUHELLBMQ-HOCLYGCPSA-N	289.423	2.557	70	20	CFID	
CC1(C)CCC(CC(=O)N2CCC[C@@H](CC(N)=O)C2)CC1	159956075	PELUSNCZHFLEAP-AWEZNQCLSA-N	294.439	2.707	70	20	CFID	
CN(C)C1(CNC[C@H](O)c2ccc(Cl)cc2)CCCC1	160881831	HEMWIMATMCNPFP-HNNXBMFYSA-N	296.842	2.837	70	20	CFID	
CC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160928666	YPAJHDWTYKZUIT-GJZGRUSLSA-N	278.371	2.876	70	20	CFID	
CSCC[C@H](C)N(C)C(=O)[C@@H]1CNc2ccccc21	161260882	MCRIUVINIYSAEQ-WCQYABFASA-N	278.421	2.796	70	20	CFID	
CC(C)c1cc(=O)n(Cc2cnc(Cl)s2)cn1	160778251	JPQLDRILEQUZLP-UHFFFAOYSA-N	269.757	2.525	70	20	CFID	
O=C(NCCCC1CCC1)c1ccc(S(=O)(=O)F)cc1	865211598	WJMGEJUVNDZIMB-UHFFFAOYSA-N	299.367	2.655	70	20	CFID	
COc1ccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1N	161323079	RZHCQLWFGIZUAY-UHFFFAOYSA-N	288.351	2.550	70	20	CFID	
CS(=O)(=O)CCCCN(Cc1cccc(F)c1)C1CC1	161503887	SMKSCKHGGHBVSP-UHFFFAOYSA-N	299.411	2.615	70	20	CFID	
CC(C)(C)c1nsc(N[C@H]2CCCCC[C@@H]2C(N)=O)n1	160034797	XQOCJVVUWYTOMI-UWVGGRQHSA-N	296.440	2.682	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@H]1CCc2ccccc21	160540266	QKIGMISXUMBBIA-CQSZACIVSA-N	274.408	2.740	70	20	CFID	
COCC[C@@H](C)NCCCCc1nc(C)cs1	160702502	VDRTWHYOVBOBEB-LLVKDONJSA-N	256.415	2.789	70	20	CFID	
Cc1cccn2cc(CNC(=O)CCCn3cccc3)nc12	159455548	HBHKDBZDNXYYOB-UHFFFAOYSA-N	296.374	2.541	70	20	CFID	
COc1ccc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1F	159473964	NGFKALCVYDAHIZ-NXEZZACHSA-N	296.342	2.912	70	20	CFID	
C[C@H](C(=O)NCCc1cc2ccccc2[nH]1)C1CC1	159701172	ZNKFDDFURQQOAQ-NSHDSACASA-N	256.349	2.873	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccccc1C	159725390	SBLLEGIGOIBFIV-UHFFFAOYSA-N	264.369	2.915	70	20	CFID	
CN(CCC(F)(F)F)C(=O)N1CCCCCC1	160638493	OBQFIDOLTLHZAS-UHFFFAOYSA-N	252.280	2.867	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccco1	160822361	NENCEFHCZHEKIR-SECBINFHSA-N	263.318	2.732	70	20	CFID	
C=CCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	865209113	HSSWLVHLODQSOI-LLVKDONJSA-N	299.367	2.819	70	20	CFID	
CCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)F)cc1C	1121012797	VBVZKUFGVAFQNR-UHFFFAOYSA-N	299.367	2.525	70	20	CFID	
O=S(=O)(Cc1cccc(Cl)c1)Cc1nccs1	161169150	LWYTZXCSGOGVNX-UHFFFAOYSA-N	287.793	2.912	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@H]2c2nncn2C)cc1	161353889	GXUWJSIYRGBMNK-HNNXBMFYSA-N	298.390	2.533	70	20	CFID	
CSc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1	160213748	MRGDQAWKTZXODU-UHFFFAOYSA-N	297.445	2.877	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCc2ccccc2CC1	160247491	WUNSBHYODCGBBP-DYVFJYSZSA-N	285.387	2.619	70	20	CFID	
Cc1ccc([C@@H]2[C@@H](C)CCCN2S(C)(=O)=O)cc1	160338807	MWCONCKQIXQKHY-JSGCOSHPSA-N	267.394	2.728	70	20	CFID	
C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[C@@H](C)C1	160366246	RDYRHDOSNIIEDN-QLFBSQMISA-N	266.429	2.803	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2cc(Cl)cs2)C1	160804453	MEBSYIGZVFIWCA-GHMZBOCLSA-N	286.828	2.720	70	20	CFID	
Cc1noc(CCCC(=O)NCCCSCC(C)C)n1	160758304	GXOJUJSBNXCOCU-UHFFFAOYSA-N	299.440	2.596	70	20	CFID	
CCSCc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)cc1	160854305	NNCGBVWHQGCAIO-LSDHHAIUSA-N	292.448	2.939	70	20	CFID	
Cc1ccccc1-n1ccnc1SCc1nnc(C)n1C	160992612	KCYWRFMBJGFGKU-UHFFFAOYSA-N	299.403	2.910	70	20	CFID	
CCN(Cc1cnc2ccccn12)CC(F)(F)F	159863650	KMVNZVOYYCHYGQ-UHFFFAOYSA-N	257.259	2.719	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCS[C@H](C)C2)c1C	159965047	CNFPSBMREHOVAU-LLVKDONJSA-N	296.440	2.961	70	20	CFID	
CC(C)c1cc(=O)n(CC(=O)C2CCCCC2)cn1	160758859	OWXWJVGZMYNWTK-UHFFFAOYSA-N	262.353	2.516	70	20	CFID	
C[C@@H]1CCC[C@@H](C)N1C(=O)C[C@@H]1C(=O)Nc2ccccc21	216695397	GLMMDLTYMNMPQB-BZPMIXESSA-N	286.375	2.902	70	20	CFID	
CCCN(CC)c1ccc(C(=O)NC[C@H](C)CCO)cc1	161065842	UHZVTPRRCCYQJK-CQSZACIVSA-N	292.423	2.671	70	20	CFID	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1CCNCC1	161244576	XAEZPPXQMHQEBI-WFASDCNBSA-N	290.382	2.530	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccsc1C(=O)OC	160117536	INWBUVCMKSXAEY-AMIZOPFISA-N	267.350	2.909	70	20	CFID	
CN(CC1CCC1)C(=O)Nc1ccn(CC(F)(F)F)n1	160351817	YVYIGJANUXCLKT-UHFFFAOYSA-N	290.289	2.709	70	20	CFID	
CCc1nnc(C[S@](=O)c2ncc(C(C)(C)C)s2)o1	160487638	OGTJKIPCXGTUCD-LJQANCHMSA-N	299.421	2.694	70	20	CFID	
C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1F	160491638	PCAQFKDEFUQCLH-MXWKQRLJSA-N	283.318	2.704	70	20	CFID	
CS[C@H](C)CC(=O)Nc1nnc(C(F)(F)F)s1	160759390	APKWFHWEOAPRRP-SCSAIBSYSA-N	285.316	2.637	70	20	CFID	
CC(C)NCCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C	160904566	XWMDIWXIRZEXJQ-GOEBONIOSA-N	274.408	2.779	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCC[C@@H]2COC)c1C	159656890	QGHUJQUSJJRPEE-CYBMUJFWSA-N	294.399	2.634	70	20	CFID	
CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160264020	BMNAFFIENSWMKI-UWVGGRQHSA-N	268.332	2.549	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccsc1	460092835	NKQSHDKSBGMVQW-UHFFFAOYSA-N	285.321	2.659	70	20	CFID	
C[C@H](CS(=O)(=O)Cl)O[Si](C)(C)C(C)(C)C	170016027	SFYKJUGOFLKESJ-MRVPVSSYSA-N	272.870	2.965	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1nc(C)cc1C	161052250	LKACUSMZCXAHBT-HUUCEWRRSA-N	277.412	2.927	70	20	CFID	
CC(C)[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1	161071784	PYQXBDFHTDBZHD-AWEZNQCLSA-N	278.400	2.769	70	20	CFID	
O=C(NC[C@@H]1CCOC1)c1occc1-c1ccc(F)cc1	161110395	LSUDZRNSAGLVMR-NSHDSACASA-N	289.306	2.852	70	20	CFID	
Cc1ccn(C)c(=O)c1NC(=O)C1(Cc2ccccc2)CC1	161361279	IDAYJFBLZKKKED-UHFFFAOYSA-N	296.370	2.655	70	20	CFID	
CCC(CC)(CO)CNC(=O)C[C@H](C)c1c(C)noc1C	161468053	AMNRSERHFGPRNL-NSHDSACASA-N	296.411	2.700	70	20	CFID	
Cc1ocnc1C(=O)N1CCc2c(Cl)cccc21	161495525	UMFYFTIVSYGAHD-UHFFFAOYSA-N	262.696	2.839	70	20	CFID	
CCOc1ncccc1CNC(=O)N1CCC2(CCC2)C1	160124680	KDIQGUBTGYLOAR-UHFFFAOYSA-N	289.379	2.566	70	20	CFID	
CC1=C(C(=O)N[C@H]2CCOC3(CCCC3)C2)CCCO1	160142528	MUNQTIDCAJWYHA-ZDUSSCGKSA-N	279.380	2.679	70	20	CFID	
CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc2c(c1)OCO2	160150791	LDGQUMVZOMYTIM-UONOGXRCSA-N	296.326	2.577	70	20	CFID	
COc1cc(Oc2ccccc2)ccc1N[C@H](C)C(N)=O	160313867	RBMCJHQRUDNOMB-LLVKDONJSA-N	286.331	2.773	70	20	CFID	
CCc1ccc(CNC(=O)N2CCO[C@H](C)[C@@H]2C)s1	160473443	RGQOREMAYGOBRW-WDEREUQCSA-N	282.409	2.629	70	20	CFID	
CCCCN(C)C(=O)CSc1ncnc2c1CCCC2	160701710	CNUXHUQVGIWLPQ-UHFFFAOYSA-N	293.436	2.706	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnn(CC)c1	160842591	WYCSEVCVEOENML-OCCSQVGLSA-N	263.385	2.944	70	20	CFID	
CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160904002	LJRCUODIUROGFK-BDAKNGLRSA-N	290.289	2.756	70	20	CFID	
CCOC(=O)NCCCC(=O)Nc1cnc(Cl)c(C)c1	159634184	XYTPSYKJMQZRTL-UHFFFAOYSA-N	299.758	2.508	70	20	CFID	
CCc1noc(C)c1CNc1ccc(C(N)=O)c(C)c1	159444594	VMVKHANFZVHWLP-UHFFFAOYSA-N	273.336	2.565	70	20	CFID	
CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccon1	159659547	GDMNYBYNNGGNQF-HNNXBMFYSA-N	288.347	2.801	70	20	CFID	
NC1(CNC(=O)c2cccc3c2CCC3)CCCCC1	159473616	BWIOQZBPHQAQHS-UHFFFAOYSA-N	272.392	2.567	70	20	CFID	
CC[C@H](NCc1ccc(CN(CC)CC)cc1)C(=O)OC	159484318	QKGUGXANHWUBAR-INIZCTEOSA-N	292.423	2.570	70	20	CFID	
CCO[C@@H](C)C(=O)Nc1cc(F)ccc1OC(F)F	159485464	SWWZCNHHZLFKHK-ZETCQYMHSA-N	277.242	2.791	70	20	CFID	
CCOC(=O)C1(C(=O)N(C)c2cc(C)cc(C)c2)CCC1	159916903	JEJJMPSDLGVFBD-UHFFFAOYSA-N	289.375	3.000	70	20	CFID	
Cc1nc(C)c(C(=O)NC2CCC(OC(C)C)CC2)o1	159376501	UYXOCBXLUOJKSK-UHFFFAOYSA-N	280.368	2.757	70	20	CFID	
CCOC(CCN[C@H]1CCc2ccccc2C1)OCC	159542725	WHNQIJPWCZARHJ-INIZCTEOSA-N	277.408	2.923	70	20	CFID	
Cc1ccc(C(=O)NCC2(N)CCCCC2)c(F)c1	159685008	TWYWUXFKVNUUOD-UHFFFAOYSA-N	264.344	2.526	70	20	CFID	
CC1(C)C[C@@H]1CNc1ccccc1S(C)(=O)=O	217485018	VZEKWSDHDGXOMM-SNVBAGLBSA-N	253.367	2.548	70	20	CFID	
C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C)CN1Cc1ccccc1	160380900	LEHPUYOQHDYEJS-UKRRQHHQSA-N	289.423	2.747	70	20	CFID	
CCC(C)(CC)C(=O)N1CCS[C@H]2COCC[C@H]21	159490742	IOYORBIIXNKKEQ-NEPJUHHUSA-N	271.426	2.546	70	20	CFID	
CCOc1cccc(CNCCN(C)[C@H](C)CC)c1	217389105	MZEKFWKNHPHOKX-CQSZACIVSA-N	264.413	2.905	70	20	CFID	
CC[C@H](NC(=O)C1CCNCC1)c1ccc(F)cc1F	161207861	YKEFPHHZMPRSEQ-AWEZNQCLSA-N	282.334	2.532	70	20	CFID	
CCc1nc(CNC(C)(C)c2ccc(F)c(F)c2)n[nH]1	160480878	SZWXPGBQHTWCDD-UHFFFAOYSA-N	280.322	2.670	70	20	CFID	
CS[C@H](C)CC(=O)Nc1nnc(C(C)(C)C)s1	160761188	YCCWJEFOUJMDJR-SSDOTTSWSA-N	273.427	2.916	70	20	CFID	
CC(C)[C@H](CC1CCCC1)C(=O)N1CCCNCC1	160843700	ACTNBTMPOJEZTJ-HNNXBMFYSA-N	266.429	2.661	70	20	CFID	
CCC[C@](C)(NC(=O)c1ccc(C(C)C)nc1)C(=O)OC	160919158	UZKQIWUBRFXVDS-INIZCTEOSA-N	292.379	2.667	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc32)CCO1	159418203	ZLMZONWSRYIVLA-GDBMZVCRSA-N	288.391	2.884	70	20	CFID	
CCCCNC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F	159430654	RWIKQGSMQWUCNM-QWRGUYRKSA-N	284.350	2.920	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)[C@H](O)C(C)C	159776152	LPNRVACMVJRXLI-MGPQQGTHSA-N	284.444	2.907	70	20	CFID	
Cc1nc(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)sc1C	159597942	SXPCTLFNKDMDOK-RKDXNWHRSA-N	297.424	2.515	70	20	CFID	
CC1(C)C[C@H](NCc2cnn(Cc3ccccc3)c2)CCO1	160644976	GGLGCAWQOITSKW-QGZVFWFLSA-N	299.418	2.979	70	20	CFID	
CCCN(C)C[C@@H]1CCN(CCCN2CCCCC2)C1	161393498	MXFDCFLHXHIEMO-KRWDZBQOSA-N	281.488	2.526	70	20	CFID	
C[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C(C)(F)F	460087197	AAVVNRBAYKAXPB-SSDOTTSWSA-N	295.282	2.575	70	20	CFID	
CCC[C@H](COC1CCC1)CS(=O)(=O)Cl	114476648	NXGZPHZMGBWZLF-SECBINFHSA-N	254.779	2.540	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cccc(OC)c1OC	217382794	AOKXNJYFELTEMT-CYBMUJFWSA-N	280.412	2.524	70	20	CFID	
CC(C)[C@@H](NCCc1ccc2c(c1)OCO2)C1CC1	161149852	MDGZATWEMXQKNY-MRXNPFEDSA-N	261.365	2.982	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(C(C)=O)CC1	161212469	LJALJVDTMUZORM-HOCLYGCPSA-N	294.439	2.672	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@@H]1CCc2ccccc21	161223340	HFKXUSRTGGYQNJ-AWEZNQCLSA-N	274.408	2.598	70	20	CFID	
O=C(N[C@@H]1CCC[C@H]1O)C1(c2cccs2)CCCCC1	161255171	GWXPGXRUBWHNDF-CHWSQXEVSA-N	293.432	2.980	70	20	CFID	
CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(C)c1F	161404377	CORGVWNSJRTQHF-VXGBXAGGSA-N	265.328	2.774	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NCC(=O)N(C)CC(F)(F)F	161429618	ICZIXJSNDGJPFQ-GHMZBOCLSA-N	280.334	2.566	70	20	CFID	
CCNC(=O)CN(CC)C(=O)C[C@H]1CCCCC1(C)C	160005340	GINXBYFOMBWGJC-CYBMUJFWSA-N	282.428	2.578	70	20	CFID	
CCOc1ccccc1[C@H](C)N[C@H](CCO)CSC	160366974	FFVQXURSKBJFTF-QWHCGFSZSA-N	283.437	2.850	70	20	CFID	
CN(C(=O)C(C1CC1)C1CC1)c1ccc2c(c1)OCO2	160426969	VPCFPZUOJVBEIR-UHFFFAOYSA-N	273.332	2.814	70	20	CFID	
CC(C)[C@@H](NC(=O)NC1(C)CCC1)c1nc(C2CC2)no1	160641322	QXZNCCFKBCLMMY-LLVKDONJSA-N	292.383	2.886	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)CCc2cc(Cl)cs2)C1	160804546	MEBSYIGZVFIWCA-MNOVXSKESA-N	286.828	2.720	70	20	CFID	
CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCCO1	159876864	KWADJOKTEQSTKD-ZDUSSCGKSA-N	267.756	2.868	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)COCCOc1ccccc1	159767496	OJJNFEWVOHEHRM-GOEBONIOSA-N	291.391	2.777	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)C1(C)CCC1	159445680	POPKVLBJCAHSNN-UHFFFAOYSA-N	261.365	2.852	70	20	CFID	
Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@H](N)C2)c1	160931805	RXLILQDWEGFLBU-LSDHHAIUSA-N	292.448	2.614	70	20	CFID	
CC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160928542	YPAJHDWTYKZUIT-HUUCEWRRSA-N	278.371	2.876	70	20	CFID	
CSCC[C@H](C)N(C)C(=O)c1ccc(C(N)=S)cc1	161308774	ZHVHOSJAGAJDGX-JTQLQIEISA-N	296.461	2.534	70	20	CFID	
CC[C@@H](CO[C@@H](C)C(F)(F)F)CS(=O)(=O)Cl	117164880	ZLHLIEHETYDJIL-BQBZGAKWSA-N	282.711	2.549	70	20	CFID	
C[C@@H](SCc1nncn1C)c1ccc(F)cc1	161041164	NDOSJLPKOBAVEU-SECBINFHSA-N	251.330	2.949	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)N1CCC(C)CC1	161093772	AIFOLIZCYXJZPS-OAHLLOKOSA-N	289.423	2.551	70	20	CFID	
CCN(CC)[C@H](CNC(=O)C[C@H](C)SC)c1ccco1	161388006	QAZGGRDPMLKXGH-QWHCGFSZSA-N	298.452	2.920	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc3c(c1)CCC3)CC2	160383238	YKLMBOJYXHFYOI-SJKOYZFVSA-N	296.418	2.741	70	20	CFID	
CCC[C@H]1CCCN(c2cc(=O)n3ccccc3n2)C1	160610471	BCOUJEDBUODSMZ-ZDUSSCGKSA-N	271.364	2.711	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)Cc1ccc(F)cc1Cl	160888016	LQBRADDCOXTUPN-LBPRGKRZSA-N	287.762	2.545	70	20	CFID	
Cc1cccc([C@@H](O)CNC(=O)c2ccc(C(C)C)nc2)c1	160984357	CXCZYEJUDKACHM-KRWDZBQOSA-N	298.386	2.977	70	20	CFID	
CC(C)NC(=O)CN[C@H]1CCSc2c(Cl)cccc21	160991986	YKPWXBYWKLAUJO-LBPRGKRZSA-N	298.839	2.991	70	20	CFID	
CCCNC(=O)CN(CCC)c1nc(C(C)(C)C)ns1	159809120	AKZYIFGLRZKBSV-UHFFFAOYSA-N	298.456	2.578	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)Nc2cccc3c2C(=O)NC3)C1	159626651	APLGECYUIHDANQ-MNOVXSKESA-N	272.348	2.695	70	20	CFID	
CN(CC(C)(C)O)C(=O)C[C@H]1CCCCC1(C)C	159628447	SFBPDYFYBXKYEE-GFCCVEGCSA-N	255.402	2.822	70	20	CFID	
CC(C)(C)c1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)s1	159825243	UZWILGCBWRHNJO-WDEREUQCSA-N	279.405	2.712	70	20	CFID	
CCC[C@H](CCO)CNC(=O)C[C@H](C)c1c(C)noc1C	159639363	HFHQTTCNIYWOFM-SMDDNHRTSA-N	296.411	2.700	70	20	CFID	
CC(C)CC[C@@H](C)NC(=O)NCCCC(=O)OC(C)C	159467612	DTWGUBVKXBLVLL-CYBMUJFWSA-N	286.416	2.842	70	20	CFID	
CCn1nccc1CNC1CCN(Cc2ccccc2)CC1	159872124	DSFGZWRBYFHCMY-UHFFFAOYSA-N	298.434	2.657	70	20	CFID	
CCOC(=O)CCCN(C)CCCc1ccccc1	160968189	BTAYMRSHHWESDD-UHFFFAOYSA-N	263.381	2.894	70	20	CFID	
C=C(C)CCC(=O)Nc1cccc(S(=O)(=O)F)c1	1340655415	LKDILSWKZKFTDW-UHFFFAOYSA-N	271.313	2.640	70	20	CFID	
CCCC[C@@H](COC)N[C@@H]1CCC[C@H](N(C)C)C1	161087859	PPTBLWQOPOGGHH-ILXRZTDVSA-N	256.434	2.654	70	20	CFID	
O=C(/C=C/c1c(F)cccc1F)N1CCOC[C@@H]1C1CC1	161251945	TWOUPFGHDWUETM-LQYUOIDQSA-N	293.313	2.615	70	20	CFID	
CCOc1cccc(NC(=O)NC[C@@H](C)SC)c1	161295929	PTGKIRGWYFDHPS-SNVBAGLBSA-N	268.382	2.958	70	20	CFID	
Cc1cccc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)n1	160173514	WHJPSYZLLSLCFD-GDBMZVCRSA-N	298.386	2.675	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1	160212502	BUTJOXGSWHHKBC-CHWSQXEVSA-N	277.364	2.638	70	20	CFID	
CCc1ncc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)s1	160231028	VPJBDBUWTAKBPJ-LLVKDONJSA-N	294.420	2.927	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NC[C@H]1CCN(CC(C)C)C1	160246101	RZSDLGJUTDZXFG-LSDHHAIUSA-N	283.460	2.698	70	20	CFID	
CCCc1ncc(C(=O)NCCCC(C)(C)CO)s1	160383159	YOTUJEQRUYPHGS-UHFFFAOYSA-N	284.425	2.624	70	20	CFID	
CC[C@H](NC(=O)Nc1cccc(COC)c1)[C@H]1CCCO1	160578298	BGWFLZBCZYODSH-LSDHHAIUSA-N	292.379	2.912	70	20	CFID	
COCc1ccc([S@](=O)Cc2nccs2)cc1	160684811	HHSHKDIJIPRDMP-KRWDZBQOSA-N	267.375	2.597	70	20	CFID	
CC(C)Oc1ccccc1C(=O)N[C@H](CCO)C(C)C	160730517	RHLGVYPOROVMRC-CQSZACIVSA-N	279.380	2.611	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)Oc1cccc(-n2ccnc2)c1	160752539	DKKPRMIERRLUFC-GFCCVEGCSA-N	294.376	2.627	70	20	CFID	
CC[C@@H]1CN(C(=O)C[C@H](C)c2ccncc2)CCS1	160836855	VFYYLGKJJWRTAP-GXTWGEPZSA-N	278.421	2.929	70	20	CFID	
COc1ccc(NC(C)=O)c(NC(=O)C[C@@H](C)SC)c1	160883866	JBKCZJYIXNINFY-SECBINFHSA-N	296.392	2.734	70	20	CFID	
C[C@H](Cc1ccccc1F)C(=O)N(C)C[C@H]1CCCOC1	159446450	PUSCTXFTRPMIEL-ZIAGYGMSSA-N	293.382	2.889	70	20	CFID	
CCN(CC)CCNC(=O)N[C@@H](C)c1cccc(F)c1F	159645101	ODXGKXSGSOPORD-NSHDSACASA-N	299.365	2.667	70	20	CFID	
CSCCNC(=O)Cc1cccc(OC(F)(F)F)c1	159653027	DIGAMCOOSOTGGG-UHFFFAOYSA-N	293.310	2.607	70	20	CFID	
CC(C)[C@H](O)CNC(=O)CCc1ccc2ccccc2c1	159729034	OSSCFAQOQWOKNV-QGZVFWFLSA-N	285.387	2.906	70	20	CFID	
CO[C@]1(CNC[C@H]2CCCc3ccccc32)CCOC1	160361329	AZLVKCWGTJVWQJ-WBVHZDCISA-N	275.392	2.502	70	20	CFID	
CC1(O)CCN(C(=O)CCSc2ccc(F)cc2)CC1	161278621	AHTCDPWUVOUDBG-UHFFFAOYSA-N	297.395	2.681	70	20	CFID	
Cc1ccc2cc(CN3CC[C@H](C)[C@@H](CN)C3)ccc2n1	218371891	FKDHNFDICAEESB-GUYCJALGSA-N	283.419	2.960	70	20	CFID	
CC[C@H](COC(C)(C)CC)CS(=O)(=O)Cl	114472810	LRRXXSCJKOWEQB-SECBINFHSA-N	256.795	2.786	70	20	CFID	
C[C@H](O)[C@@H](C)Sc1cc(Cl)nc(C2CC2)n1	218048382	LFJGSQUUXLLAHD-NKWVEPMBSA-N	258.774	2.869	70	20	CFID	
O=S(=O)(Cl)c1cc(F)c(C(F)(F)F)c(F)c1	108307003	KSLYBTKFWXFTTC-UHFFFAOYSA-N	280.601	2.911	70	20	CFID	in-vitro
CC[C@@H](C(=O)N1CCC2(CCCCC2)C1)N(C)C	161085888	RTBUFNJYGUUYOM-ZDUSSCGKSA-N	252.402	2.509	70	20	CFID	
COC(CN1C[C@H](C)C[C@@H]1c1cccc(F)c1)OC	161271147	LRHPOJPLFVQBHN-BXUZGUMPSA-N	267.344	2.828	70	20	CFID	
O=C(/C=C/C1CCOCC1)N[C@H]1CCOC2(CCCC2)C1	161358157	INYKTYVAFOJULK-BWPKMQGJSA-N	293.407	2.577	70	20	CFID	
Cc1nnc([C@H](C)Nc2ccc3oc(N(C)C)nc3c2)o1	160026332	FITMWJRZJXYXGP-QMMMGPOBSA-N	287.323	2.758	70	20	CFID	
O=C(Nc1ccccc1N1CCCC1)[C@@H]1CCCCO1	160034905	LBRIWHOTUKJXDU-HNNXBMFYSA-N	274.364	2.794	70	20	CFID	
CCCCNC(=O)c1ccc(CN[C@H](CC)COC)cc1	160117455	HIXFJBDTIDFUKI-MRXNPFEDSA-N	292.423	2.731	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12	160430408	KPRHSQOYYFTWJN-REWJHTLYSA-N	268.401	2.678	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(NC(N)=O)c2)C1	159502632	WTNHBKNWQZICQL-GHMZBOCLSA-N	275.352	2.942	70	20	CFID	
CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1	159984768	OWWCZJHOFWVHRV-GOEBONIOSA-N	276.424	2.883	70	20	CFID	
CCn1nccc1CNC12CC3CC(CC(C3)C1)C2	159953225	UBJHOFQYSDKRRR-UHFFFAOYSA-N	259.397	2.961	70	20	CFID	
COc1ccccc1C[C@@H](C)NCC1(CO)CCCC1	160101555	MLIJRIXJHWLGIF-CQSZACIVSA-N	277.408	2.769	70	20	CFID	
CC[C@@H](C)NC(=O)CCNCc1ccc(Cl)cc1F	160784097	SVALSOWYFMRCTF-SNVBAGLBSA-N	286.778	2.874	70	20	CFID	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1)C1CCCCC1	864238993	YBXYVZKUJHPERR-UHFFFAOYSA-N	299.367	2.750	70	20	CFID	
Cc1cc(C)cc(NCc2nnc3n2CCCC3)c1	217317704	YRLQAAHMJCTQGS-UHFFFAOYSA-N	256.353	2.843	70	20	CFID	
C/C=C/CSCCOc1cccc(S(C)(=O)=O)c1	161331438	SBSLGRZVOLZNRD-ONEGZZNKSA-N	286.418	2.778	70	20	CFID	
Cc1ccccc1OCCN[C@@H]1CCCc2c1cnn2C	161362499	WSCLGTIDJJORAX-OAHLLOKOSA-N	285.391	2.775	70	20	CFID	
O=C(c1cccc(F)n1)N1CC=C(C(F)(F)F)CC1	161477414	OEAKRJHREYPVNF-UHFFFAOYSA-N	274.217	2.555	70	20	CFID	
CC[C@](C)(O)CN1CCN(C2CCC(C(C)C)CC2)CC1	161497159	WILBAKTUXLRKDM-ABHNRTSZSA-N	296.499	2.980	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H]1CCCC[C@@H]1C(C)C)CC2	160411740	CFPKVAUUKLVPBR-RBSFLKMASA-N	276.428	2.706	70	20	CFID	
CCCCO[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160426491	WCOGKIQJYHTKLJ-JTQLQIEISA-N	292.339	2.517	70	20	CFID	
COC(=O)c1csc(NC(=O)c2cc(C(C)C)on2)c1	160962642	PLJSSAXJEQWJRL-UHFFFAOYSA-N	294.332	2.898	70	20	CFID	
CCN(CCCc1cccc(OC)c1)CCC(=O)OC	159850891	JHDOZVDGCIOJPE-UHFFFAOYSA-N	279.380	2.513	70	20	CFID	
CC[C@@H](NC[C@@H](C)N1CCc2ccccc21)c1cnn(C)c1	159903231	RDDKSSAIUYDYJA-RHSMWYFYSA-N	298.434	2.912	70	20	CFID	
CCc1nc(CN2C[C@H](c3ccccc3)C(C)(C)C2)n[nH]1	159369820	VIUOPMIENGURBF-CQSZACIVSA-N	284.407	2.993	70	20	CFID	
CCC[C@H]1CN(C(=O)N[C@@H]2CCCc3occc32)CCO1	159594478	NUSSEUDZRHVIOA-GXTWGEPZSA-N	292.379	2.868	70	20	CFID	
O=S(=O)(F)Oc1ccc(OCc2ccccc2)cc1	1887504216	WULGXBSMXGYKSB-UHFFFAOYSA-N	282.292	2.859	70	20	CFID	
Fc1cc(NCc2nnc3n2CCCC3)cc(F)c1F	217318996	GWQYPDSIIBKSHR-UHFFFAOYSA-N	282.269	2.644	70	20	CFID	
CCC[C@@H]1CN(C(=O)NCCCC(C)C)CCO1	159560904	JKIJKFNRXWRBJD-CYBMUJFWSA-N	256.390	2.633	70	20	CFID	
COc1ccc(COCCCN[C@H](C)[C@@H]2CCOC2)cc1	161068814	JFMRVVNNKHUJKG-GDBMZVCRSA-N	293.407	2.617	70	20	CFID	
CCc1ncc(NC(=O)N2Cc3ccccc3C2)cn1	161160148	HZCJKNITLWDNBD-UHFFFAOYSA-N	268.320	2.587	70	20	CFID	
Cc1noc([C@H]2COCCN2Cc2cc3ccccc3o2)n1	161210178	KQUJITIGUIYGJY-CQSZACIVSA-N	299.330	2.698	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(C)=O	160035777	VKZPCOXBBDSSBM-WMLDXEAASA-N	286.375	2.970	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C	160165656	NMYKCBWUSUCNQS-MNOVXSKESA-N	257.374	2.517	70	20	CFID	
Cc1nc2ccccn2c1CN(C)C[C@H]1CCCOC1	160247090	WYVRSCOSACWDJY-CQSZACIVSA-N	273.380	2.501	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(Cl)s1)CC2	160370265	OVDMBGOAHFAPIK-WCBMZHEXSA-N	296.827	2.967	70	20	CFID	
CCCN1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1	160387139	YCYIJOFUPLBOFN-UHFFFAOYSA-N	286.419	2.733	70	20	CFID	
C[C@H](NC[C@H](C1CCCCC1)N(C)C)c1cnccn1	160402816	LRIHMFFEYMIFAK-XJKSGUPXSA-N	276.428	2.638	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)C1=CCCCO1	160469414	BBJJEZSFAXGRRV-NSHDSACASA-N	263.362	2.936	70	20	CFID	
CC(C)N(C1CC1)S(=O)(=O)Cc1c(F)cccc1F	160540782	WQEMWEVEOAQEMY-UHFFFAOYSA-N	289.347	2.667	70	20	CFID	
Cc1ccc(F)cc1NC(=O)NCCc1cscn1	159517208	VZJNGIJHMMRLNQ-UHFFFAOYSA-N	279.340	2.955	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@@H]2CCOC2)C1	159579546	IYYWQECHSJPSNO-NWDGAFQWSA-N	277.389	2.798	70	20	CFID	
CC[C@@H](C(=O)Nc1cccn(C)c1=O)c1ccc(F)cc1	159976126	GDKSMMQHZXQBQP-CYBMUJFWSA-N	288.322	2.657	70	20	CFID	
CCCCC(=O)Nc1cccn(CC(F)(F)F)c1=O	159583941	YMBMAHDCPMAJBT-UHFFFAOYSA-N	276.258	2.539	70	20	CFID	
C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCCCO1	159998031	LJXSMFODZWVQIL-IUODEOHRSA-N	259.349	2.923	70	20	CFID	
CC(C)C[C@@H]1CCN(C(=O)C2(N)CCCCC2)C1	159613076	OBQBFGVLDFNTME-ZDUSSCGKSA-N	252.402	2.543	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc([C@@H](CC)NC)n1	159958985	RTGPBSBEWGGSOB-OLZOCXBDSA-N	275.352	2.866	70	20	CFID	
CCN(CCCO)C(=O)Cc1ccc2ccccc2c1	160542811	DRVIXYHHLKSZFQ-UHFFFAOYSA-N	271.360	2.613	70	20	CFID	
CC1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1	161243411	UKNPGCKMTNKISN-UHFFFAOYSA-N	269.344	2.827	70	20	CFID	
CCN1CCC(N(C)Cc2csc(C3CC3)n2)CC1	161352210	OBIXKAAUZPNSFW-UHFFFAOYSA-N	279.453	2.937	70	20	CFID	
CC[C@@H](C)NC(=O)c1cccc(CN[C@H](CC)COC)c1	161136079	LIDAHZLXTGUPEB-CZUORRHYSA-N	292.423	2.730	70	20	CFID	
O=c1n(CCCSCc2ccccc2)nc2ccccn12	160085616	GGOFACNSAMPLJH-UHFFFAOYSA-N	299.399	2.820	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](C)CC)c1C	160116364	APGPJXVIUVJWIR-SNVBAGLBSA-N	252.362	2.912	70	20	CFID	
CC(C)(CO)CCCNC(=O)C1C2CC3CC(C2)CC1C3	160354619	VPKPPBLFXITAMG-UHFFFAOYSA-N	293.451	2.974	70	20	CFID	
Nc1nc(N[C@H]2CCO[C@@H](C3CC3)C2)nc2ccccc12	160391853	USGURHLWIMYUJM-SMDDNHRTSA-N	284.363	2.582	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)C1(c2cccc(Cl)c2)CC1	160553914	AYUASHDYFVGYSU-CQSZACIVSA-N	295.810	2.895	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NCCN2CCCC[C@@H]2C)on1	160581856	OYRLICWMAUMBPR-STQMWFEESA-N	293.411	2.792	70	20	CFID	
CC1(C)CCC[C@@H](NC(=O)NCC(F)(F)F)C1	160722766	UQEFNSWBHRNPFA-MRVPVSSYSA-N	252.280	2.817	70	20	CFID	
CCCC(O)(CCC)CNC(=O)c1cccc2[nH]cnc12	159628248	NAYQPNCJNBJQRA-UHFFFAOYSA-N	289.379	2.624	70	20	CFID	
CCOc1ccccc1OC(=O)[C@@H]1CCCCO1	159640188	ZJARMKZNMLXRTB-ZDUSSCGKSA-N	250.294	2.560	70	20	CFID	
CC[C@H](NCc1ccccc1CN(CC)CC)C(=O)OC	159480701	JRATYEKFVUBPEQ-INIZCTEOSA-N	292.423	2.570	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCCc1ccccc1OC	159719343	BHYDNZUHSOAENB-XJKSGUPXSA-N	261.365	2.790	70	20	CFID	
C[C@@]1(NC(=O)Nc2ccc(F)c(Cl)c2)CCOC1	159393843	LUIGXECUNXXAMP-GFCCVEGCSA-N	272.707	2.780	70	20	CFID	
O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2CNC[C@@H]21	216652287	LNCGMGIRQOROOF-SKDRFNHKSA-N	299.296	2.531	70	20	CFID	
CC[C@H](C)N(C)CCNC(=O)Nc1ccc(C(C)=O)cc1	217402375	YZYKWBLKPOCNTG-LBPRGKRZSA-N	291.395	2.741	70	20	CFID	
C[C@H]1C[C@@H](C)C[C@H](OCCCS(=O)(=O)Cl)C1	252130413	LYHBESAJRNPTAG-URLYPYJESA-N	268.806	2.786	70	20	CFID	
CSc1ccc([C@@H](C)NCC(=O)NC(C)C)cc1F	160936164	UNZKKHCZOGMCEV-SNVBAGLBSA-N	284.400	2.723	70	20	CFID	
O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)[C@@H]1CC1(Cl)Cl	161499605	LCVLUQVXQDWEPA-QNWHQSFQSA-N	296.197	2.882	70	20	CFID	
CCN(C)CCNC(=O)CC/C=C/c1ccccc1	160144951	AWALHLBUUDHYIS-YRNVUSSQSA-N	260.381	2.548	70	20	CFID	
CC[C@H](NC(=O)Cc1c(C)noc1C)c1c(C)noc1C	160492802	UUARQDARSPUDCT-ZDUSSCGKSA-N	291.351	2.706	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)CCCOc1ccc(F)cc1	160640896	FONAMAMTWJSNIM-OAHLLOKOSA-N	297.370	2.508	70	20	CFID	
C[C@@H](NC(=O)Nc1ccccc1)[C@H](O)Cc1ccccc1	160954625	RWILYZHZAWUGTL-CZUORRHYSA-N	284.359	2.800	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)Cn2cccn2)C1	159617468	YPLLRSYHUZHMMJ-LBPRGKRZSA-N	287.388	2.658	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)Cc1cn2ccccc2n1	159675584	OLRRXTZKPQAXCM-GXTWGEPZSA-N	271.364	2.572	70	20	CFID	
CC[C@H]1CCC[C@@H](NC(=O)N2CCCN(CC)CC2)C1	159894711	WEJCGXJPTVUPAK-LSDHHAIUSA-N	281.444	2.692	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N(C)Cc2ccncc2)on1	159522687	CRORWPLRGLXGRM-NSHDSACASA-N	273.336	2.855	70	20	CFID	
COC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(C)C)C1CC1	159371835	UCPYOWOJENFMIJ-KFWWJZLASA-N	282.428	2.925	70	20	CFID	
Cc1ccc2c(c1C)OCC(S(=O)(=O)Cl)=C2	100645326	HYGBHGUTQPUIKJ-UHFFFAOYSA-N	258.726	2.605	70	20	CFID	
COc1cc(OC)nc(NCCSc2ccccc2)n1	159773612	SLHBUWBPLZFIEK-UHFFFAOYSA-N	291.376	2.698	70	20	CFID	
Cc1ccc(F)cc1NCc1nnc2n1CCCC2	217317706	DRJPDFDKCRSGSA-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
CC[C@H](C)N(C)CCNCc1ccc2cc[nH]c2c1	217749239	BTQXNTMWCCMKBA-ZDUSSCGKSA-N	259.397	2.988	70	20	CFID	
CC(C)c1ncc(C(=O)N(C)CCc2ccncc2)s1	161048538	AUJWCUYATRSNRA-UHFFFAOYSA-N	289.404	2.976	70	20	CFID	
C[C@@H](C(=O)N1CCc2c(F)cccc2C1)c1cccnc1	161079944	VORNOVLZVAHCMQ-GFCCVEGCSA-N	284.334	2.909	70	20	CFID	
Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[C@H](N)C1	161385761	GQTSWSGHOQJIQX-KBPBESRZSA-N	299.374	2.650	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCc2ccc(F)cc2C1	161480534	OXVSWWPPBZTILL-BDJLRTHQSA-N	289.350	2.716	70	20	CFID	
Cc1cc(C)cc([C@H](C)NC(=O)[C@H]2CCn3ccnc3C2)c1	161481499	BHCFGPDCMYACBS-GJZGRUSLSA-N	297.402	2.940	70	20	CFID	
Cc1nn(C(F)F)c(C)c1CC(=O)NCC1(C2CC2)CC1	160115996	CSIFWQCLAJUGCT-UHFFFAOYSA-N	297.349	2.744	70	20	CFID	
CCc1ncc(C(=O)N(C)c2ccc3c(c2)OCO3)s1	160451562	XJSAHGZFGLTSIM-UHFFFAOYSA-N	290.344	2.711	70	20	CFID	
COC(=O)c1cc(CN(C)Cc2cccc(F)c2)c[nH]1	160467273	FPOJKUPQOJPLMT-UHFFFAOYSA-N	276.311	2.572	70	20	CFID	
O=C1C[C@H](CC(=O)Oc2c(Cl)cccc2Cl)CO1	160565151	AAEIYAQGTNKDTC-SSDOTTSWSA-N	289.114	2.852	70	20	CFID	
Cc1cc(C)c(C)c(S(=O)(=O)Nc2nncs2)c1C	160571298	SYEVHDNMXSTEFF-UHFFFAOYSA-N	297.405	2.573	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1nnc(-c2ccccn2)s1	160763532	IIAMNYUQWIYPHJ-QMMMGPOBSA-N	294.405	2.680	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1	160831463	OTZCYQUDIMTLHF-YOEHRIQHSA-N	287.407	2.734	70	20	CFID	
O=C(C[C@@H]1CCCCO1)N[C@@H]1CCOC2(CCCC2)C1	159905956	IYUIRUFNEFSIEO-KGLIPLIRSA-N	281.396	2.554	70	20	CFID	
Cc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1	159722881	ISALJAHMRJUEMO-CQSZACIVSA-N	296.374	2.790	70	20	CFID	
C[C@H]1CN(C(=O)c2cc(F)cc3cccnc23)[C@@H](C)CO1	159751161	VDRPBJZXSAOGGM-QWRGUYRKSA-N	288.322	2.623	70	20	CFID	
CCCCN(C)CCNC(=O)[C@H](C)c1cccs1	159952001	RKLKJHJASSEUCL-GFCCVEGCSA-N	268.426	2.700	70	20	CFID	
C[C@@H](N(C)C(=O)NCCc1cscn1)C1(C)CC1	159380350	WSTUBYYWUBMJNW-SNVBAGLBSA-N	267.398	2.516	70	20	CFID	
Cn1c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccc21	159571168	UETVFZYZLOFARS-VUCTXSBTSA-N	297.402	2.621	70	20	CFID	
COc1ccc(CNCc2ccco2)cc1NC(C)=O	159986586	PMKAPYYOABTGLZ-UHFFFAOYSA-N	274.320	2.536	70	20	CFID	
Cc1ccccc1[C@H](C)NCCOC[C@@H]1CCCO1	159644119	UEGGNUXHICDCSL-GJZGRUSLSA-N	263.381	2.841	70	20	CFID	
Cc1ccc(C)c(OCCN(C)C[C@@H]2CCC[C@@H]2O)c1	159717167	ROHUXMJMKPWTHB-HOTGVXAUSA-N	277.408	2.775	70	20	CFID	
O=C(Cc1ccsc1)Nc1ccc(S(=O)(=O)F)cc1	185109344	YNFYYFCUCXZRRU-UHFFFAOYSA-N	299.348	2.588	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CC12CCCC2	460092488	MQQXKRDTKWWHEQ-LBPRGKRZSA-N	297.351	2.864	70	20	CFID	
C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)Cl	108598696	BNWUEFHHYLNKER-SSDOTTSWSA-N	268.165	2.816	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(OC)cc1OC	161030433	YHJXVNPLXXLGBU-BBRMVZONSA-N	277.364	2.756	70	20	CFID	
CCn1cc([C@H](C)NCCc2ccc3c(c2)OCO3)cn1	161110598	UJZYTEWQTULTEH-LBPRGKRZSA-N	287.363	2.525	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)ncn1	161171521	QAVCYLFEOFDYGI-GFCCVEGCSA-N	269.348	2.536	70	20	CFID	
Cc1cc(NC(=O)NC2CC=CC2)ccc1C(=O)N(C)C	161191804	BHNWRHBNCOHQDQ-UHFFFAOYSA-N	287.363	2.537	70	20	CFID	
CC[C@H](C(=O)N[C@H](COC)C1CC1)c1ccc(F)cc1	161328328	GJQSMQMAGOUWCV-LSDHHAIUSA-N	279.355	2.861	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCOC(C)(C)C1	161425776	APHMTOWGWUUWKK-NWDGAFQWSA-N	279.405	2.797	70	20	CFID	
CC1=C(C(=O)NCCOc2ccccc2Cl)CCCO1	161473293	VMTAWJGUPVDZAE-UHFFFAOYSA-N	295.766	2.919	70	20	CFID	
CC(C)N(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	160380285	XCBZKZPTLOSQNC-HOCLYGCPSA-N	289.423	2.699	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1ccccc1F	160537006	DYBBHIWTNLFQBU-OAHLLOKOSA-N	292.398	2.605	70	20	CFID	
CN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CCCCC1	160538875	HIWINWYMXDSHPI-ZFWWWQNUSA-N	280.412	2.918	70	20	CFID	
CN(C(=O)c1cc(Cl)c[nH]1)c1ccc2c(c1)OCO2	160604601	GTDRHQGQLPYSQU-UHFFFAOYSA-N	278.695	2.673	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc(F)cc1F	160743077	ZHNCFVJJGZKROR-UHFFFAOYSA-N	264.275	2.576	70	20	CFID	
CC[C@H](CC(=O)NCc1ncc[nH]1)c1ccc(C)cc1	159861711	XAZLVHYGENBEMQ-CYBMUJFWSA-N	271.364	2.918	70	20	CFID	
C[C@@H](NCCC(C)(C)C)c1nnnn1-c1ccccc1	159881802	SHRDVSQDCLSTTJ-GFCCVEGCSA-N	273.384	2.749	70	20	CFID	
C[C@H](NC(=O)N1CC[C@H](C)[C@H](C)C1)c1cccnc1	159903208	ZVWQIICQTZDNSF-XQQFMLRXSA-N	261.369	2.830	70	20	CFID	
CSC[C@@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1	159759788	FFTOQXYYKZULQW-NEPJUHHUSA-N	271.426	2.594	70	20	CFID	
CCOc1ccc(N[C@H](CC)C(=O)OC)cc1OCC	159476646	HXTHIJSBIDVTAR-GFCCVEGCSA-N	281.352	2.848	70	20	CFID	
CC(C)(C)CCC(=O)Nc1ccc2c(c1)CC(=O)N2	160317649	HXMABSMXINWMDF-UHFFFAOYSA-N	260.337	2.946	70	20	CFID	
Cc1cc(C(=O)Cn2c(C)nc3c2CCCC3)c(C)n1C	216687869	IUDJSAAOEZLHCR-UHFFFAOYSA-N	285.391	2.909	70	20	CFID	
CC(=O)c1ccc(O)c(NC(=O)c2ccccc2)c1	217391567	FBCHECPOIQEQGQ-UHFFFAOYSA-N	255.273	2.847	70	20	CFID	
C[C@](F)(CS(=O)(=O)Cl)c1ccc(F)c(F)c1	1537958558	BZQFIHQPBKFXLA-VIFPVBQESA-N	272.675	2.718	70	20	CFID	
FCCCN[C@H]1CCCN(Cc2ccccc2)C1	161028753	BOTTVTUOBFSPRK-HNNXBMFYSA-N	250.361	2.600	70	20	CFID	
Cc1cccc(C)c1C(=O)N[C@H](C)C(=O)OC(C)(C)C	218073335	XYUXRWKRSSFMQH-GFCCVEGCSA-N	277.364	2.763	70	20	CFID	
CCCN(CCO)Cc1c[nH]nc1-c1ccc(Cl)cc1	161212835	DURIEPLYJZQHMB-UHFFFAOYSA-N	293.798	2.934	70	20	CFID	
C[C@@H](OCCCNC(=O)[C@H]1CCCCO1)c1ccccc1	161336045	YLMVVYQDLIOTBI-GDBMZVCRSA-N	291.391	2.840	70	20	CFID	
CC[C@@H](SCC(=O)N1CCOCC1)c1ccc(F)cc1	161347461	JIIVRPLYLBLKJV-CQSZACIVSA-N	297.395	2.869	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1ccccn1	161467523	LZACHVHMMFPNJW-SNVBAGLBSA-N	293.754	2.794	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1csc([C@@H]2CCCO2)n1	161476297	JASRAIUDVBGZKQ-LBPRGKRZSA-N	292.404	2.915	70	20	CFID	
CCCNC(=O)c1cccc(NCc2cnn(CC)c2)c1	160116216	MKCCTPIWLRCIDC-UHFFFAOYSA-N	286.379	2.655	70	20	CFID	
C[C@H](O)C[C@@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3	160192253	XSYGTWNFJGTFOP-OADHPXTJSA-N	291.435	2.821	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160226776	XNEOIVIDPMNIQZ-XPTSAGLGSA-N	274.324	2.748	70	20	CFID	
CCOC(=O)c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1	160341834	DDSKPGXFCSOFGT-KGLIPLIRSA-N	290.363	2.628	70	20	CFID	
CC(C)c1noc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160415121	PXCXDIHOURTYSF-QWRGUYRKSA-N	251.330	2.563	70	20	CFID	
CCc1ncnc(N2CCC[C@@H]2CN2CCCCC2)c1F	160458518	LTLGABITVKUJDR-CYBMUJFWSA-N	292.402	2.633	70	20	CFID	
CCCC1(CNC(=O)c2c(C)nn(C)c2Cl)CC1	160532359	DGVBXQZVKRVDOE-UHFFFAOYSA-N	269.776	2.692	70	20	CFID	
CCCC1(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1	160639264	IYYUSUJCGJUKBD-UONOGXRCSA-N	258.365	2.882	70	20	CFID	
CCN(C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	160853646	FMJFIEFLPHJQAK-UONOGXRCSA-N	262.353	2.568	70	20	CFID	
CC(C)(C)OC(=O)CCNc1nc(C(C)(C)C)ns1	159619951	MYQDIRVKUFRVDO-UHFFFAOYSA-N	285.413	2.979	70	20	CFID	
CSCCNC(=O)C1(Cc2ccccc2)CCC1	159748964	KNJRFURXKKVYST-UHFFFAOYSA-N	263.406	2.879	70	20	CFID	
CC(C)(CO)CNC(=O)c1cc(Cl)c2ccccc2n1	160132625	HAUPBMRZONWPHN-UHFFFAOYSA-N	292.766	2.637	70	20	CFID	
CC(C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CC(C)C	217799903	ZVTOVDSCEFLFNF-KBPBESRZSA-N	282.428	2.622	70	20	CFID	
Brc1cncc(CNCCC2CC2)c1	160584365	ALFPPJFQBXSWIB-UHFFFAOYSA-N	255.159	2.734	70	20	CFID	
CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C	159864529	KKTMBMGNKIIFLP-TVQRCGJNSA-N	298.180	2.757	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCNC(=O)C(C)(C)C	161035021	NOGOPEOUEAIOCU-KGLIPLIRSA-N	296.455	2.966	70	20	CFID	
CCC[C@H](C(=O)N[C@H]1CCc2ccccc21)N(C)C	161346453	SOAOSLCAZKTZQQ-LSDHHAIUSA-N	260.381	2.520	70	20	CFID	
COC[C@H](NC[C@@H](C1CCCCC1)N(C)C)C(C)C	160413140	DZPWRRXTOWTJCS-HOTGVXAUSA-N	270.461	2.758	70	20	CFID	
Cc1ccc(CNC(=O)C[C@@H](C)c2ccncc2)cn1	160078668	ZXJVCCIMOQKZOP-GFCCVEGCSA-N	269.348	2.595	70	20	CFID	
C[C@@H](CC(=O)N(C)c1ccccn1)c1ccncc1	160107461	IANVQJQMYGZJDJ-LBPRGKRZSA-N	255.321	2.633	70	20	CFID	
COC(=O)c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1C	160355257	GOMBMFJHKPGMAZ-OCCSQVGLSA-N	290.363	2.546	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)C1CCCCC1	160391218	ZZBWFCDTAUQWTQ-UHFFFAOYSA-N	271.382	2.793	70	20	CFID	
CS[C@H](C)CNC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160729743	KYNIWGUIPVBYLI-QZKOUSHUSA-N	290.432	2.623	70	20	CFID	
COc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCCCO2)cc1	160744281	NMFXVSNYNGFCTM-DOMZBBRYSA-N	277.364	2.784	70	20	CFID	
Cc1cccc2c1CCN2C(=O)N[C@H]1CCN(CC2CC2)C1	160755691	YYZYVCKCUJYBRA-HNNXBMFYSA-N	299.418	2.551	70	20	CFID	
C[C@H](CNC(=O)C1CCC(C)(C)CC1)N(C)C1CC1	159917272	CLTDTLDHRIJGAU-GFCCVEGCSA-N	266.429	2.802	70	20	CFID	
O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCCCO1	160233186	WTNRQRPEPOICSX-LLVKDONJSA-N	289.253	2.919	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)c1cccc(C(F)(F)F)c1	160731071	CLQYXTNWYAUWTA-GFCCVEGCSA-N	289.297	2.842	70	20	CFID	
CCN(C)C(=O)CN[C@H]1CCCc2c1[nH]c1ccccc21	217350763	CTEUMWFGVSAGJI-HNNXBMFYSA-N	285.391	2.613	70	20	CFID	
F[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1	216993944	WIMBHLHYJIHAAM-CYBMUJFWSA-N	282.322	2.945	70	20	CFID	
CC(C)(C)[C@H]1CN(CCS(=O)(=O)F)c2ccccc21	883954429	MZUXJPVKKWTGOA-LBPRGKRZSA-N	285.384	2.936	70	20	CFID	
Cc1cc(N[C@H]2CCN3CCCC[C@@H]23)nc(C(C)C)n1	217361028	OLWNAKRSVLWRQE-KBPBESRZSA-N	274.412	2.947	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCOC(C)(C)C1	161425546	APHMTOWGWUUWKK-RYUDHWBXSA-N	279.405	2.797	70	20	CFID	
CCn1cc(C(=O)C(=O)N(C)c2cccc(C(C)C)c2)cn1	160030933	JHXILDBRUOYVGO-UHFFFAOYSA-N	299.374	2.872	70	20	CFID	
CCCOc1ccccc1NC(=O)N[C@H]1CC[C@H](O)CC1	160204481	HTCRKXPLXNWAKT-BETUJISGSA-N	292.379	2.900	70	20	CFID	
CCc1nc(CN[C@H](C)c2cccc(C)c2C)n[nH]1	160444025	QSIASXUVBGWHMH-GFCCVEGCSA-N	258.369	2.835	70	20	CFID	
C[C@H]1CCCN(CCNC(=O)[C@@H]2CCC[C@@H](C)C2)C1	160587523	DDTYMFRWJHNQQV-QLFBSQMISA-N	266.429	2.661	70	20	CFID	
COc1cc(C(=O)Nc2ccccc2)cc(OC)c1O	160680342	GPVSZYKRFDZJHT-UHFFFAOYSA-N	273.288	2.662	70	20	CFID	
O=C(NCc1ccccn1)Nc1cccc(OCCF)c1	160889573	JCAWGPVLTLROSD-UHFFFAOYSA-N	289.310	2.752	70	20	CFID	
Cc1cc(C(=O)N[C@@H](CO)CC(C)C)nc2ccccc12	160956682	IFCKFWNZYGVCBV-CYBMUJFWSA-N	286.375	2.680	70	20	CFID	
C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCc3ccccc32)C1	159679503	ORUQONNIBDQCSW-DOTOQJQBSA-N	288.391	2.620	70	20	CFID	
CCCc1cc(C(=O)N2CC[C@]3(CCNC3)C2)sc1C	159369855	BGVZXBHEERQVCT-INIZCTEOSA-N	292.448	2.835	70	20	CFID	
COc1ccnc(N[C@@H]2CCCc3cc(N)ccc32)n1	159489129	VDZIUWSWLKUUHY-CYBMUJFWSA-N	270.336	2.557	70	20	CFID	
CN(C(=O)c1cc2ccc(F)cc2s1)[C@@H](CN)C1CC1	159846915	YTQBWISYPLEIIT-LBPRGKRZSA-N	292.379	2.850	70	20	CFID	
CC[C@H](N)C(=O)Nc1ccccc1SC(C)C	161398370	QSBZTEAMSHZSBD-JTQLQIEISA-N	252.383	2.863	70	20	CFID	
C[C@H](CC(N)=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1	161359763	WQDLJQLKVGXKAF-BPLDGKMQSA-N	266.429	2.979	70	20	CFID	
COCCOC(=O)CC12CC3CC(CC(C3)C1)C2	217394809	FLBGUEONMMVQCA-UHFFFAOYSA-N	252.354	2.783	70	20	CFID	
CCCC(O)(CCC)CC(=O)Nc1cccnc1OC	160075188	FJTFNGZILRSLDO-UHFFFAOYSA-N	280.368	2.750	70	20	CFID	
C[C@@H](Cc1ccc(Br)cc1)S(=O)(=O)Cl	235169728	QPTNZNSXNLVKMV-ZETCQYMHSA-N	297.601	2.949	70	20	CFID	
CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1O	161083794	NMOUNGNSBHNARB-IRXDYDNUSA-N	285.391	2.608	70	20	CFID	
c1csc(COc2ccc(-c3nnco3)cc2)n1	161163291	CKVHUCMNCOGWJA-UHFFFAOYSA-N	259.290	2.772	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@H]3C)c2C)o1	161405625	IJSKJBUCLUOGAK-GMSGAONNSA-N	259.309	2.881	70	20	CFID	
CCN(CCNC(=O)c1ccc(F)c(SC)c1)C1CC1	160148354	QRGYSHDMCLNYDP-UHFFFAOYSA-N	296.411	2.762	70	20	CFID	
CC(C)(C)NC(=O)N1CCO[C@@](C)(c2ccccc2)C1	160194274	FGFYTYQNEGSKQD-MRXNPFEDSA-N	276.380	2.742	70	20	CFID	
CC(C)[C@@H](C(=O)N[C@H]1CCCc2sccc21)N(C)C	160265149	LEVGHOCHFRXUQY-JSGCOSHPSA-N	280.437	2.828	70	20	CFID	
Fc1ccc([C@@H]2CN(CCOCC3CC3)CCO2)cc1F	160371532	FNHADEHQKZAAPQ-INIZCTEOSA-N	297.345	2.765	70	20	CFID	
CC1(C)C[C@H](NCc2ccc(-n3ccnc3)cc2)CCO1	160490975	CRHYMRCDBIXWQB-OAHLLOKOSA-N	285.391	2.920	70	20	CFID	
CN(CC(F)(F)F)C(=O)c1ccc(N(C)C)cc1F	160731523	QGMHVWDLJPHAEX-UHFFFAOYSA-N	278.249	2.526	70	20	CFID	
C[C@H](C(=O)N(C)Cc1cccn1C)c1ccccc1F	160813716	WKQYKHJFAHAOSD-LBPRGKRZSA-N	274.339	2.926	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(OCCOC)cc1C	159458151	PTCBBWMJEICQMN-ZDUSSCGKSA-N	295.379	2.774	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(F)c(F)c1	159915667	LPIAHNALGSYXEH-UHFFFAOYSA-N	286.322	2.885	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)N(C)C	159534897	JXWUQVZIRMOCHX-NWDGAFQWSA-N	280.437	2.616	70	20	CFID	
CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl	159556772	GTNBIFCBCNOJMP-LBPRGKRZSA-N	287.190	2.704	70	20	CFID	
NC[C@H]1CCCN1C(=O)CSCc1cccc(Cl)c1	160161572	DBXANKRWDQIQOM-CYBMUJFWSA-N	298.839	2.523	70	20	CFID	
CCN(CC)C[C@H]1CCN(CCCN2CCCCC2)C1	161314187	ASHCUJVPEWIMHX-QGZVFWFLSA-N	281.488	2.526	70	20	CFID	
CCC(N)(CC)CNC(=O)c1cc(F)c(C)cc1F	160426238	DYGRZQZRXWWZDU-UHFFFAOYSA-N	270.323	2.521	70	20	CFID	
CC(C)(C)C1CCC(c2cc(NC(=O)CN)[nH]n2)CC1	161068947	RKHYCUXLECWLMH-UHFFFAOYSA-N	278.400	2.627	70	20	CFID	
Cc1ccccc1Cn1ccc(C(=O)OC(C)C)cc1=O	161073466	IRMYGIJFTVOEGK-UHFFFAOYSA-N	285.343	2.770	70	20	CFID	
CCC(CC)n1ncc(C(=O)NC[C@@H]2CCCCO2)c1C	161142976	TWQHKINJSBMORJ-AWEZNQCLSA-N	293.411	2.852	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](COC)C2CC2)c1C	161230731	JVDNHAIAFHVNIZ-AWEZNQCLSA-N	294.399	2.538	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)CC2CC2)o1	161290363	WHKCOKBQVSQXKY-CYBMUJFWSA-N	263.337	2.890	70	20	CFID	
C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCNC2)C1	160105298	GASXAMSDLHFEPT-YJBOKZPZSA-N	286.419	2.566	70	20	CFID	
CC(C)C(=O)N[C@@H]1CCCN(CCC2CCCC2)C1	160126730	AMRRWVZKOQHBEH-OAHLLOKOSA-N	266.429	2.803	70	20	CFID	
COC[C@@H](C)NCCc1csc(-c2ccccc2)n1	160388649	ZXORDHLLQRKKJQ-GFCCVEGCSA-N	276.405	2.977	70	20	CFID	
CN(Cc1cccn1C)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2	160429474	KONXHLLDWPPIFB-MJBXVCDLSA-N	260.381	2.810	70	20	CFID	
CC(C)S(=O)(=O)CCCN1CCSc2ccccc21	160511193	RSWHJGNUARXRIA-UHFFFAOYSA-N	299.461	2.812	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1	160778022	UZHWYGPDGNDEKL-GUTXKFCHSA-N	286.485	2.755	70	20	CFID	
COCCCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160914639	YKRDTJDQUIDFTN-CQSZACIVSA-N	283.412	2.801	70	20	CFID	
CN(Cc1nc(C(F)(F)F)cs1)C[C@@H]1CCC[C@@H]1O	159821355	VNCPXZLRCORYQX-IUCAKERBSA-N	294.342	2.755	70	20	CFID	
CC1(C)CCCC[C@@H]1NC(=O)c1ncn(-c2ccccc2)n1	159860443	HMFWSJVSVGPWCF-AWEZNQCLSA-N	298.390	2.966	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](C)[C@H]2CCOC2)c1C	159866525	RKXQHYFMSLJYQC-AAEUAGOBSA-N	294.399	2.538	70	20	CFID	
CN(C)c1nccc(N[C@H]2CCCc3cc(N)ccc32)n1	159484512	NOVVAYXEPQNYBS-AWEZNQCLSA-N	283.379	2.614	70	20	CFID	
O=C(C[C@@H]1CCCN1)N1CC2(CCCC2)c2ccccc21	159369936	UWIZBMSGWAKHAT-AWEZNQCLSA-N	284.403	2.987	70	20	CFID	
CCN1CCCN(C(=O)NCC(C)(C)CC(C)C)CC1	159958280	UXYPCEWLVMDIJI-UHFFFAOYSA-N	283.460	2.796	70	20	CFID	
CN(Cc1ccccc1C(F)(F)F)[C@H](CN)C1CC1	159723937	NNEFNIFSWFOZLR-CYBMUJFWSA-N	272.314	2.875	70	20	CFID	
CCSCC[C@H](C)NC[C@H](O)COc1ccccc1	160099641	SUWQFNNSCBONCY-KBPBESRZSA-N	283.437	2.548	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2Cl)C1	161182840	MBBGGKXSXFJAPO-NXEZZACHSA-N	287.190	2.993	70	20	CFID	
CSCC[C@H](C)N(C)Cc1cccc2c1CCNC2	161506766	BBGDRHBOFNQZAM-ZDUSSCGKSA-N	278.465	2.906	70	20	CFID	
CC[C@H](NC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCOC1	160882918	ATERHQCISOMBFN-NJAFHUGGSA-N	290.451	2.912	70	20	CFID	
CCC(CC)(COCC1CC1)CS(=O)(=O)Cl	114473759	WQFZFMIDZDNKHR-UHFFFAOYSA-N	268.806	2.788	70	20	CFID	
COCCOc1ccc(Cl)cc1C(=O)NC1CC=CC1	161001750	BTDIWUUHOMATIH-UHFFFAOYSA-N	295.766	2.814	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(OC)nn1	161078285	LOWHFAZPXVUGGR-WCQYABFASA-N	277.368	2.526	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CCN(C(C)=O)CC1	161212748	LJALJVDTMUZORM-GOEBONIOSA-N	294.439	2.672	70	20	CFID	
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCCO2)cc1	161328339	CUNIATHDUJETIE-HOTGVXAUSA-N	289.375	2.928	70	20	CFID	
Cc1cncc(NC[C@](C)(O)c2ccccc2Cl)n1	160185112	UWJPSIUFRHMWOX-AWEZNQCLSA-N	277.755	2.758	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)c1ccccc1	160212600	BUTJOXGSWHHKBC-OLZOCXBDSA-N	277.364	2.638	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@@H](C)C1(C)CC1	160213467	GUMQAIRFDCLQIQ-LBPRGKRZSA-N	284.400	2.548	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)c1ccccc1C(=O)OC	160409421	YHYYLLIEGDNROA-MLGOLLRUSA-N	275.348	2.872	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C	160480827	PMHJEEWGWXVNHL-RISCZKNCSA-N	298.427	2.686	70	20	CFID	
Cc1ccc(NC(=O)C[C@H](C)NCC(C)(C)O)cc1Cl	160604409	CAUCWVRQBUMFRV-NSHDSACASA-N	298.814	2.726	70	20	CFID	
CC(C)C1(CNC(=O)[C@@H]2CCCCCC[C@H]2N)CC1	160819368	PYSFQGYUXARZOU-ZIAGYGMSSA-N	266.429	2.837	70	20	CFID	
COCCC1(CNC(=O)N(C2CC2)[C@H](C)C2CC2)CC1	160973192	DFRMEJXYYSAGKN-GFCCVEGCSA-N	280.412	2.776	70	20	CFID	
Cc1nnc(SCCCSCc2ccccc2)n1N	159389902	YTCXNGYYROWDTI-UHFFFAOYSA-N	294.449	2.716	70	20	CFID	
CCN(CCCO)C(=O)c1cc2cc(F)ccc2s1	160463048	WNPYBLNZMDNWHJ-UHFFFAOYSA-N	281.352	2.885	70	20	CFID	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cscn1	161261177	QYSUQUKOIBQHKR-VIFPVBQESA-N	292.335	2.674	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC1CCC(NC(C)=O)CC1	161421501	LDEYWDGHBRYSOG-LMPOIIKSSA-N	266.429	2.992	70	20	CFID	
O=C(COC1CCCCC1)N[C@@H]1CCOC2(CCCC2)C1	160220234	VYXXEYNVSAFLBJ-CQSZACIVSA-N	295.423	2.944	70	20	CFID	
Cc1csc(-c2cccc(-c3nnc(N)o3)c2)n1	160643955	QMPCCEQNWJZTPJ-UHFFFAOYSA-N	258.306	2.751	70	20	CFID	
CCOC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1sccc1C	160667173	IMAUJZFIHFVYMJ-VXGBXAGGSA-N	295.404	2.620	70	20	CFID	
Cc1ccc(F)c(OCC(=O)N[C@H](C)C[C@H]2CCCO2)c1	160685571	KNXFUBNJEXAQHE-CHWSQXEVSA-N	295.354	2.587	70	20	CFID	
CCCCn1ncc(C(=O)N(C)Cc2cccnc2)c1C	160955958	FPHNUMKLVGQMTR-UHFFFAOYSA-N	286.379	2.659	70	20	CFID	
C[C@H](CCO)CNC(=O)[C@H](C)Cc1ccccc1Cl	159607157	PMUCXEXQGUHXNU-VXGBXAGGSA-N	283.799	2.653	70	20	CFID	
Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCn3ccnc3C2)cc1	159432523	HOUPLNDKXXZOQC-GDBMZVCRSA-N	297.402	2.974	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)Nc1ccc(O)c(C)c1	159436031	ZIDTWGXTSPZHAZ-UHFFFAOYSA-N	293.754	2.902	70	20	CFID	
CCCCOCCNC(=O)C[C@H](C)c1ccncc1	159463712	KYZJAKZBUANVHA-ZDUSSCGKSA-N	264.369	2.508	70	20	CFID	
O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCCO1	159774235	ADZBWXZHOWIEHK-GFCCVEGCSA-N	287.281	2.891	70	20	CFID	
CCc1nnc(NC(=O)COc2cc(C)ccc2F)s1	159986313	MDWXQEYNIXINNN-UHFFFAOYSA-N	295.339	2.566	70	20	CFID	
CN(CCCc1ccccc1)C(=O)[C@@H]1CCn2ccnc2C1	159987228	CVQCEEZXCMVOSF-MRXNPFEDSA-N	297.402	2.537	70	20	CFID	
CCc1cccc(OCCSCCN2CCOCC2)c1	159797046	GPIDYCHCIXODOT-UHFFFAOYSA-N	295.448	2.693	70	20	CFID	
CN(Cc1cc(-c2ccco2)on1)C[C@H]1CCC[C@@H]1O	159570145	ZKOADWUQNZCOCR-YPMHNXCESA-N	276.336	2.527	70	20	CFID	
COc1cc(NCC(=O)N2CCCCCC2)ccc1F	160288807	LTMFPJNTNHRNTJ-UHFFFAOYSA-N	280.343	2.649	70	20	CFID	
C[C@@H](CNc1nnc(C(F)(F)F)s1)CN1CCCC1	160331893	SORFAZIEQAHALE-QMMMGPOBSA-N	294.346	2.701	70	20	CFID	
CN(C(=S)NC1CCCCC1)[C@@H]1CCSC1	160044667	BCACDMDJBINIKC-LLVKDONJSA-N	258.456	2.631	70	20	CFID	
Cc1cc(Cl)ccc1OCCS(=O)(=O)Cl	108304075	LRGNJGDVMJLUKM-UHFFFAOYSA-N	269.149	2.596	70	20	CFID	
O=S(=O)(Cl)CCCCCCOCC1CC1	112155399	RCSXWTOTURBSQK-UHFFFAOYSA-N	254.779	2.542	70	20	CFID	
CC[C@@H](C)OCC[C@H](C)CCS(=O)(=O)Cl	114640348	LGDAIGWCFDFVPQ-VHSXEESVSA-N	256.795	2.786	70	20	CFID	
CC(C)[C@@H](COC1CCCC1)CS(=O)(=O)Cl	114476887	WMNKVMTZJSFBGO-JTQLQIEISA-N	268.806	2.786	70	20	CFID	
CCN(CCC1CC1)C(=O)c1ccc(S(=O)(=O)F)cc1	864241536	WLJTVPPQVWVEIZ-UHFFFAOYSA-N	299.367	2.607	70	20	CFID	
CCCCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1	218049597	AZYGPYQFMTYEFI-HZPDHXFCSA-N	275.392	2.920	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1nnc(C(F)(F)F)s1	161022049	SQWBGCPOXYARTI-SSDLBLMSSA-N	279.287	2.932	70	20	CFID	
CSc1cc(C(=O)N(C)CCN2CCCC2)ccc1F	161366273	AEQFROAVATYAER-UHFFFAOYSA-N	296.411	2.715	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1cccc(OC(F)F)c1	160320572	WCXZFMODYKFXKJ-UHFFFAOYSA-N	299.317	2.571	70	20	CFID	
CC[C@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)cc1	160720311	UXYUWZGQMFIFAT-MFKMUULPSA-N	284.787	2.861	70	20	CFID	
O=C(C[C@@H]1CCCCO1)N[C@@H]1CCOC2(CCCCC2)C1	160743860	SQCJMUNREQZVCA-CABCVRRESA-N	295.423	2.944	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)C12CCCCC2	159720664	ORZQRUDWZURPES-RRFJBIMHSA-N	295.423	2.800	70	20	CFID	
COc1ccc(OC)c([C@H](O)CN2CCCC[C@@H]2C)c1	216905920	DAQQDTAKNSGFQT-SWLSCSKDSA-N	279.380	2.612	70	20	CFID	
CCN(CCCO)C(=O)C(C)(C)Oc1ccc(Cl)cc1	160548859	DXCBTLRXTRLWQL-UHFFFAOYSA-N	299.798	2.728	70	20	CFID	
CCO[C@H]1C[C@@H](NCc2cccc3c2OCCO3)C1(C)C	217874303	VMRWOMBYIQQRIM-CABCVRRESA-N	291.391	2.751	70	20	CFID	
CC(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864242504	HYLBZIQYYSBRQW-JTQLQIEISA-N	287.356	2.509	70	20	CFID	
CCCC1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1336955271	ZGJTXOPOFJOFFD-UHFFFAOYSA-N	299.367	2.655	70	20	CFID	
CN(C)C(=O)[C@H]1CCCN1C(=O)C[C@H]1CCCC(C)(C)C1	161056450	JTXPCKPTGXVRAI-ZIAGYGMSSA-N	294.439	2.672	70	20	CFID	
CC1(C)CCC(CC(=O)NC[C@H]2CCOC2)CC1	161111840	CGIWJJCPGTYXCK-CYBMUJFWSA-N	253.386	2.746	70	20	CFID	
COC[C@@H](NC(=O)Nc1cnc(Cl)cc1C)C1CC1	161138117	CMSBSGLJMPFYGG-LLVKDONJSA-N	283.759	2.590	70	20	CFID	
Cn1nccc1COc1ccc(Br)cc1F	161249815	NGLWXTRZCDXLNX-UHFFFAOYSA-N	285.116	2.901	70	20	CFID	
CC1(C)C[C@H](NC(=O)NCCc2cccc(F)c2)CCO1	161273637	JDSVEHOSRAVWIJ-CQSZACIVSA-N	294.370	2.625	70	20	CFID	
Cc1cccc(CNC(=O)N[C@@H]2CCOC(C)(C)C2)c1	161428421	DNYCYFFDBLRJNO-CQSZACIVSA-N	276.380	2.752	70	20	CFID	
C[C@H](C(=O)N1CC[C@@H](N)C1)c1ccc2ccccc2c1	160309901	CNSNUUXOKOFJOB-BLLLJJGKSA-N	268.360	2.503	70	20	CFID	
CCOc1ccc(CCC(=O)N[C@@H](CCO)C(C)C)cc1	160461106	HAWBMNUBGKWYMR-INIZCTEOSA-N	293.407	2.541	70	20	CFID	
N[C@@H]1CCC[C@H](C(=O)NCCc2cc3ccccc3o2)C1	160487208	PLWPKODGETWBRV-UONOGXRCSA-N	286.375	2.609	70	20	CFID	
CCC(CC)CNC(=O)N1CCC(NC(C)C)CC1	160606206	YXYIFFAUCJKYEM-UHFFFAOYSA-N	269.433	2.595	70	20	CFID	
COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O	160734925	DKZYRNRYCVDLRJ-QWRGUYRKSA-N	293.363	2.528	70	20	CFID	
Cc1nccc(NC(=O)NCCc2nccs2)c1Cl	159810830	JKUARCAXSBJZBT-UHFFFAOYSA-N	296.783	2.864	70	20	CFID	
Cc1cc(C)cc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159471215	QEZRQSKVUUGQBB-UHFFFAOYSA-N	286.375	2.645	70	20	CFID	
CNC[C@H](C)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C	159891314	UXLOKTCATZBXHQ-ZNMIVQPWSA-N	274.408	2.555	70	20	CFID	
CCCCSCCC(=O)NCc1nc(C)cs1	159379911	LFROCOUBWZIYTF-UHFFFAOYSA-N	272.439	2.991	70	20	CFID	
CC[C@H]1CN(C(=O)[C@@H](C)c2cccs2)C[C@@H](C)O1	159782778	AIEDWXPWSPZWDF-WOPDTQHZSA-N	267.394	2.878	70	20	CFID	
CC[C@H](C)OCCCCCCS(=O)(=O)Cl	112155525	OVJWWFCFUGKWFB-JTQLQIEISA-N	256.795	2.931	70	20	CFID	
C[C@@H](C(=O)N[C@H]1CCc2ccccc21)C1CCOCC1	161052557	KPVAPMQHHYCPIN-WBMJQRKESA-N	273.376	2.853	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccccn2)n1	161157949	CEZCBXOVBJQSTA-UHFFFAOYSA-N	293.330	2.681	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)no1	161214265	HAWDCIJRHYIUEL-VIFPVBQESA-N	290.294	2.513	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)c2ccccc2Cl)ncn1	161234641	XRCNOYLFHMTNJV-JTQLQIEISA-N	275.739	2.929	70	20	CFID	
O=C(c1c[nH]nn1)N1CCCC[C@@H]1CCCc1ccccc1	161266093	NQRHXFZXWRMCRY-OAHLLOKOSA-N	298.390	2.822	70	20	CFID	
COc1cc(CC(=O)N2[C@H](C)CC[C@H]2C)ccc1C	161448081	NKKMCPHRNDDSRZ-CHWSQXEVSA-N	261.365	2.946	70	20	CFID	
C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCNC2)C1	160105139	GASXAMSDLHFEPT-CRAIPNDOSA-N	286.419	2.566	70	20	CFID	
C[C@H]1CC[C@@H](CCC(=O)N(C)c2ccc3c(c2)OCO3)O1	160374042	BHSIBGCARJBAAF-AAEUAGOBSA-N	291.347	2.726	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H]1CCCC[C@@H]1C(C)C)CC2	160411996	CFPKVAUUKLVPBR-KFWWJZLASA-N	276.428	2.706	70	20	CFID	
CC[C@H](NC(=O)CCCCOC)c1c(C)noc1C	160459695	MKMZLOZEZPTKDR-LBPRGKRZSA-N	268.357	2.675	70	20	CFID	
CC[C@H](NC(=O)COc1ccccc1)c1c(C)noc1C	160624406	VKQLIDVRPZWREO-AWEZNQCLSA-N	288.347	2.938	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1cccc(Cl)c1C	159829800	PPMKCWDJDDSWIS-UHFFFAOYSA-N	297.786	2.638	70	20	CFID	
CCOc1cccc(NC(=O)CO[C@@H](C)CC)c1	159684035	FUBQKWLWQHCORH-NSHDSACASA-N	251.326	2.839	70	20	CFID	
CCC(CC)(CN)NC(=O)C1C2CC3CC(C2)CC1C3	160198932	UBDSGTSIYCRFGV-UHFFFAOYSA-N	278.440	2.692	70	20	CFID	
CCOCCCNC(=S)Nc1ccc(F)c(OC)c1	160227713	LLVLQYHLJLXEIS-UHFFFAOYSA-N	286.372	2.547	70	20	CFID	
Cc1ccc(OCCCS(=O)(=O)Cl)cc1C	100495530	ZVYSXFNILWSLEF-UHFFFAOYSA-N	262.758	2.641	70	20	CFID	
O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CCCNC1	161055499	LRDURIHEFAGJLE-GVDBMIGSSA-N	286.419	2.514	70	20	CFID	
CCOC(=O)[C@@H]1CC[C@H](NCc2ccco2)C[C@@H]1C	161480923	SOFMJNFLZMULJW-SGMGOOAPSA-N	265.353	2.737	70	20	CFID	
CCO[C@H](C)c1nccn1Cc1ccc(C(=O)OC)s1	161490840	KDOMTQUPVROODR-SNVBAGLBSA-N	294.376	2.877	70	20	CFID	
COc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1	160050276	UWQWWANMNMHUFB-CQSZACIVSA-N	289.375	2.917	70	20	CFID	
CCC[C@@H](C)[C@@H](CC)NCCN1CCC(N(C)C)CC1	160236327	IFEDJIRXNDNDDB-NVXWUHKLSA-N	283.504	2.817	70	20	CFID	
Cc1ccc(NC(=O)C[C@@H](C)NCC(C)(C)O)cc1Cl	160604280	CAUCWVRQBUMFRV-LLVKDONJSA-N	298.814	2.726	70	20	CFID	
O=C(NCCC1=CCCCC1)NOCc1cccnc1	160988012	KYRSVLHNDVNCQJ-UHFFFAOYSA-N	275.352	2.703	70	20	CFID	
CN(C)C1CN(c2ncc(-c3ccccc3)s2)C1	159539910	CFEICPXEBSREDE-UHFFFAOYSA-N	259.378	2.560	70	20	CFID	
CC1(NC(=O)NCc2ccccc2-n2ccnc2)CCC1	159934418	NCROTQCYEPMQKW-UHFFFAOYSA-N	284.363	2.614	70	20	CFID	
Cc1ccccc1[C@H](C)N[C@@H](C)CO[C@@H]1CCOC1	159778905	NLDJWFGJSNZYPZ-SOUVJXGZSA-N	263.381	2.840	70	20	CFID	
CCC[C@H]1CN(C(=O)N[C@H]2CCCc3occc32)CCO1	159594749	NUSSEUDZRHVIOA-JSGCOSHPSA-N	292.379	2.868	70	20	CFID	
CCc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)sc1C	160102069	PUUJWQOEESPKCA-BETUJISGSA-N	278.421	2.585	70	20	CFID	
CN(CCOc1ccccc1Cl)[C@@H]1CCCC[C@@H]1O	161079570	CLRCFLGDBSAQDT-KGLIPLIRSA-N	283.799	2.954	70	20	CFID	
Cc1ccc(C)c(SCC(=O)N[C@H]2CCC[C@H](N)C2)c1	161418687	QVFCZCKYWXKUTL-KBPBESRZSA-N	292.448	2.782	70	20	CFID	
CCCC[C@@H](CN)NC(=O)c1cccn1Cc1ccccc1	159788542	TWWIKJQCJHFRRJ-INIZCTEOSA-N	299.418	2.784	70	20	CFID	
CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCOC(C)(C)C2)C1	160530090	HFDOBPONRZMDLP-CHWSQXEVSA-N	298.427	2.543	70	20	CFID	
CN(Cc1ccc(OC(F)F)cc1)Cc1ccnn1C	160627078	AEBGUBVYNHGTAQ-UHFFFAOYSA-N	281.306	2.654	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)CCCOCc1ccccc1	160633949	ULQCOEAJGQPBKN-INIZCTEOSA-N	293.407	2.507	70	20	CFID	
COc1ccc([C@@H](C)N(C)Cc2nccn2C)cc1	160748997	GKHUWFJEFPOBPG-GFCCVEGCSA-N	259.353	2.622	70	20	CFID	
C[C@H]1CCCC[C@H]1OC[C@@H](C)CS(=O)(=O)Cl	112159556	XAVLNPXBRKQVDY-OUAUKWLOSA-N	268.806	2.786	70	20	CFID	
CCc1ncnc(NC[C@H]2Cc3ccccc32)c1F	217983042	PFRKTZVUYQLZLS-LLVKDONJSA-N	257.312	2.930	70	20	CFID	
COc1ccc(NC(=O)CCCc2ccccn2)cc1N	161021303	XWLSRQYYBSYUHR-UHFFFAOYSA-N	285.347	2.634	70	20	CFID	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1CCNCC1	161244447	XAEZPPXQMHQEBI-DOMZBBRYSA-N	290.382	2.530	70	20	CFID	
CC1(O)CCN(C(=O)c2occc2-c2ccccc2)CC1	161272269	NOXUPVLMNHESFG-UHFFFAOYSA-N	285.343	2.934	70	20	CFID	
C[C@H](C(=O)NCc1cccnc1)c1c(F)cccc1F	161347829	JEMAFBYPUAFIKY-JTQLQIEISA-N	276.286	2.780	70	20	CFID	
Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cn1	161405460	NBERSUIIWSYWPM-NSHDSACASA-N	256.309	2.668	70	20	CFID	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1N	161417834	JZSXRUXOLWWOGM-HNKHHVNMSA-N	272.392	2.518	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NCC(C)(C)[C@@H](O)C(C)C	160221480	XYLVMAIYIVZGJH-STQMWFEESA-N	272.433	2.763	70	20	CFID	
CN1CCN(Cc2cnc3ccccn23)c2ccccc21	160351830	YXNXNUFSCNEGJG-UHFFFAOYSA-N	278.359	2.791	70	20	CFID	
C[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160480809	KUSUOJJWPDZEMX-IUCAKERBSA-N	290.289	2.756	70	20	CFID	
Cc1cc(F)ccc1C(=O)NC[C@H]1CCCN1CC(C)C	160489540	BNUQLZPUPWFFTO-OAHLLOKOSA-N	292.398	2.984	70	20	CFID	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H](C)CO	160495584	HYCPCYINYXFDMF-TZMCWYRMSA-N	292.423	2.810	70	20	CFID	
CC[C@@H](N[C@@H](CCCO)c1ccccc1)[C@H]1CCOC1	160850945	ZFCFXOCBTWUPRC-BBWFWOEESA-N	277.408	2.905	70	20	CFID	
C[C@H](NC[C@H](C)N(C)Cc1ccccc1)C1CCOCC1	160897510	ZIXBUTVWHRCOLC-HOTGVXAUSA-N	290.451	2.912	70	20	CFID	
CNC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1	159823833	RZKVWSNQSALVAS-UHFFFAOYSA-N	273.336	2.685	70	20	CFID	
CCC(CC)N(CCOC)Cc1cnc2ccccn12	159706856	HMYPIEILUGYUKO-UHFFFAOYSA-N	275.396	2.971	70	20	CFID	
CC(C)CCn1ccc(N[C@H](C)C(=O)NCC(C)C)n1	159954211	GOWUYSZELJQYOR-CYBMUJFWSA-N	280.416	2.502	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NC2CCN(C3CC3)CC2)C1	159370341	YJQQMHMAVRSMOJ-OLZOCXBDSA-N	264.413	2.556	70	20	CFID	
CCCCCN(Cc1ccccc1)S(C)(=O)=O	159622211	PGNAVZSYCVNUOX-UHFFFAOYSA-N	255.383	2.638	70	20	CFID	
CCc1cc(O)nc(CN(Cc2cccs2)C2CC2)n1	160754488	DFJVFLRJPHMIES-UHFFFAOYSA-N	289.404	2.971	70	20	CFID	
C[C@H](OCCCCCS(=O)(=O)Cl)C(F)(F)F	117760286	RFDOVBZKKSCXRS-ZETCQYMHSA-N	282.711	2.693	70	20	CFID	
CC(C)CN[C@H](CNC(=O)OC(C)(C)C)C1CC1	218116057	WALHBIAKKVYUBB-GFCCVEGCSA-N	256.390	2.535	70	20	CFID	
CCOC(=O)[C@@H](C)CNC(=O)C1CCC(C)(C)CC1	161023663	XSKGSWSJIIRPGH-NSHDSACASA-N	269.385	2.518	70	20	CFID	
CCCn1nc(C)c(C(=O)NCc2ccc(F)cc2)c1C	161261143	QEIBHQABKGTWEU-UHFFFAOYSA-N	289.354	2.979	70	20	CFID	
CCOc1cccc(NC(=O)NCc2ncccc2F)c1	161302236	IIDXFTWEUUDILF-UHFFFAOYSA-N	289.310	2.941	70	20	CFID	
CC(C)Oc1ccc(CN[C@@H]2C[C@@H](C)N(C)C[C@H]2C)cn1	160065730	GSMKIWLYLZYKAP-IIAWOOMASA-N	291.439	2.687	70	20	CFID	
CN(CC1CC1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160195603	OOGMXFWIHZMVQI-OAHLLOKOSA-N	290.363	2.728	70	20	CFID	
CC[C@@H](COC)NCc1ccc(N2CCCCCC2)nc1	160553024	WQFUTHYAKOWEBG-INIZCTEOSA-N	291.439	2.977	70	20	CFID	
CC(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CCCN1	160876005	NJHVGIWKIBRFBG-KBPBESRZSA-N	252.402	2.556	70	20	CFID	
CC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CCCC2)C1	160886646	XRQIJSDXZCEYMI-CABCVRRESA-N	293.455	2.977	70	20	CFID	
C[C@@H](CNCc1cccc2c1NCCC2)CN1CCCC1	159412960	KNOAUUCYRVIRCA-HNNXBMFYSA-N	287.451	2.866	70	20	CFID	
Cc1nc2ccc(NC(=O)N[C@]3(C)CCOC3)cc2s1	159502276	HUXUNMPKUWDZJB-CQSZACIVSA-N	291.376	2.905	70	20	CFID	
COCCCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	159543579	HBFYMCUYLOUUBA-GOEBONIOSA-N	291.391	2.697	70	20	CFID	
CC(C)c1nc(COc2nnc(-c3ccccc3)o2)no1	159568663	QRNCUFBCCFIDMG-UHFFFAOYSA-N	286.291	2.822	70	20	CFID	
CCOC(=O)C(C)(C)c1nc(C(CC)(CC)OC)no1	160003942	PIBIMVVFGXKREY-UHFFFAOYSA-N	284.356	2.572	70	20	CFID	
C[C@]1(NC(=O)c2cccc(C(F)(F)F)c2F)CCOC1	160208867	BPNHGYORFJEMSV-LBPRGKRZSA-N	291.244	2.753	70	20	CFID	
CCN(CCCO)C(=O)Cc1cccc2ccccc12	160439821	JWBSHEHEAIZODZ-UHFFFAOYSA-N	271.360	2.613	70	20	CFID	
C[C@H](NC(=O)C[C@@H](C)[C@H]1CCCNC1)c1cccs1	160729796	JSXKVPDLOFPKIC-AGIUHOORSA-N	280.437	2.951	70	20	CFID	
CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1	1336952519	KBTCZONCSNEUGU-NSHDSACASA-N	299.367	2.607	70	20	CFID	
C[C@H]1CCC[C@@H](CNc2nnnn2-c2ccccc2)C1	217922005	LXFPRDFAAGPZJA-QWHCGFSZSA-N	271.368	2.901	70	20	CFID	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	218249242	QGDRFSKMSNCXGD-WDEREUQCSA-N	297.424	2.803	70	20	CFID	
Cc1noc([C@H]2COCCN2CC2CCC(C)CC2)n1	161024345	FFCYZLRAGSWXPP-UXUKBGGZSA-N	279.384	2.578	70	20	CFID	
CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@H](N)C1	161036188	PCYXRCCGDWSGPZ-QLFBSQMISA-N	266.429	2.979	70	20	CFID	
CCC(O)(CC)CNC(=O)c1cnn(CCC(C)C)c1C	161053214	YMWBOTGLWKBHLW-UHFFFAOYSA-N	295.427	2.519	70	20	CFID	
CCN(CC)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161450156	QYBOAVZZBYKWSW-UHFFFAOYSA-N	290.367	2.567	70	20	CFID	
CC(C)c1cnc(SCCn2ccnc2)n1C	160163345	XHTBMNDXZYVUGX-UHFFFAOYSA-N	250.371	2.532	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C1(c2ccccc2)CCC1	160246541	QVGRKFJWXOUZLJ-CYBMUJFWSA-N	289.375	2.566	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccsc1	160534184	XGRBWPVLKPYOAK-CYBMUJFWSA-N	266.410	2.598	70	20	CFID	
CCCC(O)(CCC)CNC(=O)c1scnc1CC	160567563	DFTBKWDLHQQXJP-UHFFFAOYSA-N	284.425	2.767	70	20	CFID	
CN1CCC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1	160678774	DHUSONYMSBPGGT-CQSZACIVSA-N	266.429	2.755	70	20	CFID	
CC(C)CSCCCNC(=O)[C@H]1CC12CCOCC2	160755427	LLFVRPZIERAUEM-CYBMUJFWSA-N	285.453	2.699	70	20	CFID	
CC(C)c1cc(C(=O)N2CCOc3cccc(F)c32)no1	160852237	VHLMJEGKEZROJM-UHFFFAOYSA-N	290.294	2.976	70	20	CFID	
CCCCN(C)C(=O)Cc1cccc(OCCOC)c1	160945773	XUIDEMDMMHEAAH-UHFFFAOYSA-N	279.380	2.513	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)N1CCC[C@@H](C)C1	159430558	MBGDVBXIGCQVAF-CQSZACIVSA-N	290.407	2.780	70	20	CFID	
COC[C@@H](NC(=O)Nc1ccnc(C)c1Cl)C1CC1	159672249	BGDAMARKHVIZDR-LLVKDONJSA-N	283.759	2.590	70	20	CFID	
CO[C@@H](C)CC(=O)N[C@@H]1CCCc2sccc21	159902506	CGERZMXYEFCRAE-GXSJLCMTSA-N	253.367	2.667	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@@H]2CCC[C@H]21	159544680	CDHBWPMRHIBCTH-WCQYABFASA-N	279.409	2.660	70	20	CFID	
Cc1nc(O)ccc1C(=O)N(C)[C@H](C)c1ccco1	159556806	PSCMTWUVBPZBAZ-SNVBAGLBSA-N	260.293	2.522	70	20	CFID	
CN(Cc1nccn1C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	159966949	MBSAPKDUQZWKPE-RRFJBIMHSA-N	289.423	2.985	70	20	CFID	
CCc1ccc([C@@H](CO)NC(=O)NCC2(CC)CC2)cc1	159575361	JHWMKWLAQIAHEF-OAHLLOKOSA-N	290.407	2.772	70	20	CFID	
C[C@@H]1SCCN(CCCN2CCCCC2)[C@H]1C	161160261	MUSPACNTITXQCK-KBPBESRZSA-N	256.459	2.688	70	20	CFID	
Cc1ccccc1OC[C@@H](C)CS(=O)(=O)Cl	108304603	WZPRRLDOZBLXMY-SECBINFHSA-N	262.758	2.579	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)CCC1CC1	1354852178	YDXUUDUXYNDVRC-UHFFFAOYSA-N	299.367	2.525	70	20	CFID	
C[C@H]1CO[C@H](C)CN1CCC(=O)c1ccc(F)cc1	218349076	CTRBDMATHBEVBO-NWDGAFQWSA-N	265.328	2.508	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccccc1	85576783	CEUIEMJMBHYWLW-UHFFFAOYSA-N	279.292	2.597	70	20	CFID	
C[C@@H]1CCC[C@@H](OCCCS(=O)(=O)Cl)C1	112395394	BTCWIMFYCONMET-NXEZZACHSA-N	254.779	2.540	70	20	CFID	
O=C(CCCC1CC1)Nc1ccc(S(=O)(=O)F)cc1	813164555	FZSLNMFFENOVNH-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CCCn1c(=O)n(Cc2nccs2)c2ccccc21	161197769	URMXEZUHPWGATE-UHFFFAOYSA-N	273.361	2.718	70	20	CFID	
Cc1nnc2c(NC[C@@H]3CCC[C@H](C)C3)nccn12	218050162	BHEOJMUSWNOKBH-CMPLNLGQSA-N	259.357	2.671	70	20	CFID	
O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CCCNC1	161055364	LRDURIHEFAGJLE-ZACQAIPSSA-N	286.419	2.514	70	20	CFID	
Cc1nnc2ccc(N[C@H]3CCCc4sccc43)nn12	161075971	URYBUCAYYUKHAH-NSHDSACASA-N	285.376	2.984	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)c1cc(=O)[nH]c2cc(F)ccc12	161477169	ANNXCXZHZPQZDS-UWVGGRQHSA-N	288.322	2.680	70	20	CFID	
C[C@H](NCCC(C)(C)O)c1nc(C2CCCCC2)no1	160058468	ISIFEHQJXCUXFV-NSHDSACASA-N	281.400	2.929	70	20	CFID	
CC(C)[C@H](C)N[C@H]1CCCN(c2ccccc2F)C1=O	160179001	CPABOYNPVYGCJB-JSGCOSHPSA-N	278.371	2.955	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H](C)SCc1ccccc1	160433808	YEGBDQWLJMROBN-ZDUSSCGKSA-N	294.464	2.942	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NCCN2CCC(C)CC2)on1	160554853	XBQGFTFWIZDWMU-ZDUSSCGKSA-N	293.411	2.650	70	20	CFID	
COc1ccc(NC(=O)NCc2ncccc2F)cc1F	160566090	YXDRDEBHRCXELY-UHFFFAOYSA-N	293.273	2.690	70	20	CFID	
N[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1	160677559	XLJVKWKHANBTSF-YPMHNXCESA-N	292.354	2.680	70	20	CFID	
Cc1ocnc1C(=O)NCCc1csc(C(C)(C)C)n1	160763277	AOSRFXAGEOIPRJ-UHFFFAOYSA-N	293.392	2.710	70	20	CFID	
CC(C)Oc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	160904251	ANYGUDQGLKLXLB-XBXGTLAGSA-N	292.379	2.899	70	20	CFID	
CCCC(O)(CCC)CC(=O)NC[C@@H](O)c1ccsc1	159622082	MOXTUBVZJKFMAL-CYBMUJFWSA-N	299.436	2.619	70	20	CFID	
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc2[nH]cnc12	159542976	RNUHUAVQPSZOQU-QMMMGPOBSA-N	284.319	2.659	70	20	CFID	
CC[C@H](O)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160052166	YRTIFQHVXRXKCX-YJNKXOJESA-N	267.413	2.870	70	20	CFID	
CCC(CC)CNC(=O)N(CCO)Cc1ccccc1	160541419	ROIIPEONZLOFOC-UHFFFAOYSA-N	278.396	2.627	70	20	CFID	
CNc1ccc(C(=O)Nc2ccc(F)c(OC)c2)cn1	160531548	BCWQBSGLPJPHGY-UHFFFAOYSA-N	275.283	2.523	70	20	CFID	
O=C(NC[C@@H]1CCCNC1)c1cc2ccc(F)cc2s1	161198464	LPEHPUSLGNBXSO-SNVBAGLBSA-N	292.379	2.770	70	20	CFID	
Cc1nccc(CNC(=O)NCC2CCC(C)(C)CC2)n1	160013117	SLXDOACTHWCQSK-UHFFFAOYSA-N	290.411	2.801	70	20	CFID	
CC[C@@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1	160137146	FLUGNNWRICZIAR-ZFWWWQNUSA-N	261.365	2.866	70	20	CFID	
CC[C@H]1CCCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C1	160190136	IUOUDWMFLHJQPR-LBPRGKRZSA-N	284.363	2.734	70	20	CFID	
COCCC1(CNC(=O)N[C@@H](C)CC(C)C)CCC1	160387350	XUVYNOTYYQFZQM-ZDUSSCGKSA-N	270.417	2.927	70	20	CFID	
COC[C@@H](NC[C@@H](C1CCCCC1)N(C)C)C(C)C	160413000	DZPWRRXTOWTJCS-CVEARBPZSA-N	270.461	2.758	70	20	CFID	
CC[C@H](COC)NCc1ccc(N2CCC(C)CC2)nc1	160509102	HJDFWSRSIQSJCF-MRXNPFEDSA-N	291.439	2.833	70	20	CFID	
CCCCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	160551616	BGBAEYUMPNVVTL-KBPBESRZSA-N	252.402	2.557	70	20	CFID	
Cn1cnnc1CN1CCC[C@@H]1Cc1ccccc1Cl	160839268	ORHQHHZSDAXMOM-CYBMUJFWSA-N	290.798	2.676	70	20	CFID	
O=C(NC1CC=CC1)c1cccnc1N1CCCCC1	160852751	OYIZMRIVVQHDIE-UHFFFAOYSA-N	271.364	2.520	70	20	CFID	
C[C@@H](NC(=O)CCN)c1cccc(Cl)c1Cl	160985842	ABVDQSIXQRGBRO-SSDOTTSWSA-N	261.152	2.519	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)N(C)Cc1nccn1C	159813438	NHXUURVEQNOBQM-CQSZACIVSA-N	293.411	2.506	70	20	CFID	
CCOCCCC(=O)NCCc1cc2ccccc2[nH]1	159520096	UOWVQHMARDHRDF-UHFFFAOYSA-N	274.364	2.643	70	20	CFID	
CCC(C)(CC)C(=O)N(C)CCc1nccs1	159370491	PRGAKIGNDVRXEE-UHFFFAOYSA-N	254.399	2.970	70	20	CFID	
CCc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1	159381530	HTSLHGCIRVCVGY-UHFFFAOYSA-N	286.375	2.590	70	20	CFID	
CCOC(=O)c1ccc(N[C@H]2CCOC(C)(C)C2)nc1	160605829	DSCYIERRTUSKGR-LBPRGKRZSA-N	278.352	2.628	70	20	CFID	
COc1ccc(Cl)cc1[C@@H](C)NCC(C)(C)O	160643770	JVHQBCRUAMRADV-SECBINFHSA-N	257.761	2.770	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2csc3c2CCCC3)C1	161166730	FFLLTDWCUJTSKR-MNOVXSKESA-N	278.421	2.627	70	20	CFID	
C[C@@H]1CCCC[C@@H]1CNC[C@@H](O)COc1ccc(F)cc1	218430027	QIABJFBADZAYQE-IIAWOOMASA-N	295.398	2.981	70	20	CFID	
Cc1ccc(OCCCNC(=O)N2CCCCC2)cc1	217297834	RIWYJYNKZURHRP-UHFFFAOYSA-N	276.380	2.959	70	20	CFID	
Cc1cc(C(=O)Cl)cc(S(=O)(=O)Cl)c1Cl	159135106	LAJHYCDZRBODJN-UHFFFAOYSA-N	287.551	2.955	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@H]1c1ccccc1	161389161	ODPFQTNNCCBJAN-GJZGRUSLSA-N	259.349	2.919	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](CC)COC)c1C	160089615	HFSPIQCTYHZHAQ-LBPRGKRZSA-N	282.388	2.538	70	20	CFID	
C[C@@H](C(=O)NCc1cccc(O)c1)c1ccsc1	160227406	IWYUQNNBAGGXJM-SNVBAGLBSA-N	261.346	2.874	70	20	CFID	
CC1(NC(=O)NCCCOc2ccc(F)cc2)CCC1	160287677	DVKWSGKJKZKRIU-UHFFFAOYSA-N	280.343	2.836	70	20	CFID	
CSCC[C@@H](C)N(C)Cc1cnc2ccccn12	160508211	HDMPGXQJDMWHLS-GFCCVEGCSA-N	263.410	2.908	70	20	CFID	
O[C@H]1CCCC[C@@H]1CN[C@H]1CCc2ccc(F)cc21	160560933	ASQRJOOCRWZIHP-KCXAZCMYSA-N	263.356	2.954	70	20	CFID	
C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2CC2(C)C)C1	160691640	QEMVXLFZZLXNSF-OLZOCXBDSA-N	266.429	2.659	70	20	CFID	
CN[C@H]1CCN(C(=O)CCCc2cc(C)sc2C)C1	160811261	XNQKENCNKJKFFT-AWEZNQCLSA-N	280.437	2.508	70	20	CFID	
C[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H](C)c1ccccc1	160892301	YVVLOEKUQAOTNH-JJRVBVJISA-N	282.387	2.995	70	20	CFID	
Cn1cnnc1CSc1nc2ccc(Cl)cc2[nH]1	160927080	SRXXMNIAYRVFFY-UHFFFAOYSA-N	279.756	2.637	70	20	CFID	
CS[C@@H](C)CNC(=O)N[C@@H](C)c1ncc(C)s1	159409469	WVJUHUKTGZPFEZ-CBAPKCEASA-N	273.427	2.563	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC(C)(C)C)n1	159687130	IXUNCHLRSJNHQE-UHFFFAOYSA-N	252.362	2.849	70	20	CFID	
COc1cc(CCC(=O)N(C)CC(C)(C)O)ccc1Cl	159891074	RPEAUWIWARQSOK-UHFFFAOYSA-N	299.798	2.511	70	20	CFID	
COc1ccc(C)cc1CN(C)C[C@@H]1CCC[C@@H]1O	159458728	QXXJZDRJRWCXOM-ZFWWWQNUSA-N	263.381	2.596	70	20	CFID	
C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)F)cc2)C(C)(C)C1	893669736	BKJWQNJFVXALRO-JTQLQIEISA-N	299.367	2.605	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)CCCC2CCCC2)C1	161224818	UDBIJYLRTMLBJJ-ZIAGYGMSSA-N	252.402	2.733	70	20	CFID	
COc1ccccc1CCC(=O)NCC1(C2CC2)CC1	160139146	GNXJVCCWXUJFTR-UHFFFAOYSA-N	273.376	2.934	70	20	CFID	
CC[C@H](NC(=O)[C@@H](C)SC)c1c(C)noc1C	160597337	UNFZOVKHKQPVTB-ZJUUUORDSA-N	256.371	2.610	70	20	CFID	
CN(C)c1ccnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1	160660741	XOVQQALBXJXSRF-HUUCEWRRSA-N	298.390	2.875	70	20	CFID	
CCC(=O)c1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1	160716355	RUQOCNNQOCTVLW-UHFFFAOYSA-N	294.314	2.803	70	20	CFID	
C[C@H](NC[C@@H]1CCc2ccccc21)c1cnccn1	160972897	WGKSUKLEADHCLC-JSGCOSHPSA-N	253.349	2.857	70	20	CFID	
COCCC1(CNC(=O)N(C2CC2)[C@@H](C)C2CC2)CC1	160973079	DFRMEJXYYSAGKN-LBPRGKRZSA-N	280.412	2.776	70	20	CFID	
CC(C)[C@H](O)CNC(=O)CCC(C)(C)c1ccccc1	159408191	MQOQBAXDUQTVJS-OAHLLOKOSA-N	277.408	2.878	70	20	CFID	
COC[C@H](NC(=O)Nc1ccnc(C)c1Cl)C1CC1	159672102	BGDAMARKHVIZDR-NSHDSACASA-N	283.759	2.590	70	20	CFID	
CCc1nc(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)co1	159488942	JBQIWWNYBQJXLP-GFCCVEGCSA-N	288.351	2.554	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccccc1OC	159719230	BHYDNZUHSOAENB-CJNGLKHVSA-N	261.365	2.790	70	20	CFID	
COc1cc(NC(=O)CC[C@H]2CCCNC2)ccc1F	160343116	JAUMQPSBZQJUIW-LLVKDONJSA-N	280.343	2.553	70	20	CFID	
CC(C)OC(=O)NCCc1cccc2cccnc12	160712887	FWWNGJRQVSYFHH-UHFFFAOYSA-N	258.321	2.912	70	20	CFID	
O=C(NCC1CCNCC1)c1cc2ccc(F)cc2s1	161198721	CWOFQXFTFPRVOK-UHFFFAOYSA-N	292.379	2.770	70	20	CFID	
CCC[C@](C)(NC(=O)c1ccc(Cl)nc1C)C(=O)OC	160482097	QUYWUGIUWOAZPO-AWEZNQCLSA-N	298.770	2.505	70	20	CFID	
O=C(CCl)Nc1cc(C(F)(F)F)ccc1O	143881743	RDVUQFATIFKOMI-UHFFFAOYSA-N	253.607	2.588	70	20	CFID	
Cc1cccc2c1N(CCS(=O)(=O)F)CC[C@@H]2C	883954603	SXEJFWGKYNQVPQ-JTQLQIEISA-N	271.357	2.608	70	20	CFID	
CC[C@@H](C)OCC(=O)N1CCC[C@H]1C1CCCC1	160249646	ZUZLWDPSRVXCHZ-OCCSQVGLSA-N	253.386	2.983	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cccc2cc[nH]c12	218184779	URWIUSCOULPDRB-ZDUSSCGKSA-N	259.397	2.988	70	20	CFID	
CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)Sc1ccccc1	161119844	ANVNWRITSIYBPL-OUCADQQQSA-N	280.437	2.657	70	20	CFID	
COc1ncccc1NC(=O)C[C@H](C)c1ccncc1	160074787	LCISJECRZOQRAT-NSHDSACASA-N	271.320	2.618	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[C@@H]1c1ccco1	160222889	UTGWYILKPCXGPM-MRVWCRGKSA-N	275.348	2.948	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)c1ccccc1	160475475	KJNKOSWMCMAVGK-HUUCEWRRSA-N	290.407	2.831	70	20	CFID	
CCOCCC1(CNC(=O)NC[C@@H](C)SC)CCC1	160632022	FUIKOXTYAKUEAQ-GFCCVEGCSA-N	288.457	2.634	70	20	CFID	
CCc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)s1	160687726	ULPUIZAYLSBJIB-CHWSQXEVSA-N	282.409	2.677	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C(=O)OC)ccc1F	160801072	PXWSIBZHIZNMOX-BONVTDFDSA-N	279.311	2.987	70	20	CFID	
CN(CC[C@H]1CCCCN1C)Cc1cnc2ccccn12	160802211	OXECVSCEISOAKT-OAHLLOKOSA-N	286.423	2.641	70	20	CFID	
O=C([C@@H]1CCCCO1)N(Cc1cccs1)C1CC1	160898811	FHWRHVWLHQZMLA-ZDUSSCGKSA-N	265.378	2.808	70	20	CFID	
CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl	159821477	ZEJJODGUSCRNRT-UHFFFAOYSA-N	283.759	2.620	70	20	CFID	
CCCC1(CNC(=O)NCC(C)(C)[C@@H](O)C(C)C)CC1	159872506	LIRWVPYQQZBJRZ-ZDUSSCGKSA-N	284.444	2.909	70	20	CFID	
CC1(C(=O)NCCc2nc3ccccc3s2)CC1	159686829	KERUSDVNEUPIBS-UHFFFAOYSA-N	260.362	2.755	70	20	CFID	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)C[C@@H](C)O	159497060	YAMKTZQVNBNKQD-MJBXVCDLSA-N	292.423	2.840	70	20	CFID	
COCCCn1ccc(NC(=O)NCCCC(C)(C)C)n1	159537229	HUKGCWDYEWGDBX-UHFFFAOYSA-N	296.415	2.867	70	20	CFID	
CN(C(=O)c1cccc(S(=O)(=O)F)c1)C1CC(C)(C)C1	1338069764	XEQNEWZKAYXCRD-UHFFFAOYSA-N	299.367	2.605	70	20	CFID	
CCc1ccc(OCCCCS(=O)(=O)Cl)cc1	100495454	LRNHKRYWVYPLKL-UHFFFAOYSA-N	276.785	2.977	70	20	CFID	
CC[C@H](N)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1	161011396	HXJPNKXXHWANMM-STQMWFEESA-N	298.839	2.694	70	20	CFID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1cnn(C(C)C)c1	161206224	CBXYCKBNEAJNNR-GOEBONIOSA-N	278.444	2.989	70	20	CFID	
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H](C)N)cc1	161235004	AURGJYPCEQUJAM-GUTXKFCHSA-N	260.381	2.642	70	20	CFID	
CC(C)COc1cccc(C(=O)N2CCC(C)(O)CC2)c1	161241813	ZAMFTJBWAPYJJR-UHFFFAOYSA-N	291.391	2.708	70	20	CFID	
CCNC(=O)c1cccc(CN[C@H](C)[C@@H](C)CC)c1	160160732	CQURXAOVJTTWHF-QWHCGFSZSA-N	262.397	2.961	70	20	CFID	
O=C(Nc1ccc(CC(F)(F)F)cc1)C1CCNCC1	160299797	URHRAEJSOXCQSX-UHFFFAOYSA-N	286.297	2.730	70	20	CFID	
COCC(C)(C)C(=O)N1CCC[C@@H](Nc2ccccc2)C1	160320839	VDMLBXQCVMTFPH-OAHLLOKOSA-N	290.407	2.762	70	20	CFID	
Cc1c(C(=O)NC2(CO)CC2)oc2c(Cl)cccc12	160326926	CXGGOZZJGHVFAE-UHFFFAOYSA-N	279.723	2.649	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3ccco3)[nH]2)o1	160355032	SAVRZDJDBXRQDD-NXEZZACHSA-N	298.302	2.708	70	20	CFID	
C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2)C1CCC1	160395704	FPCHMXVQNQRYBY-SNVBAGLBSA-N	287.363	2.881	70	20	CFID	
C[C@H](NC1CCN(C2CCCC2)CC1)C1CCN(C)CC1	160509967	PBJLCDUTGJGWBK-HNNXBMFYSA-N	293.499	2.713	70	20	CFID	
CC[C@@H](C)OCC(=O)NCCCCN(C)c1ccccc1	160582690	QFVOYTYYCMWYFI-OAHLLOKOSA-N	292.423	2.834	70	20	CFID	
CC(C)n1cc([C@@H](C)NC[C@H]2CCCC[C@@H]2O)cn1	160621845	WLCGBAWUJVQHCL-NFAWXSAZSA-N	265.401	2.666	70	20	CFID	
CCn1c(C(=O)N[C@@H](CCO)C(C)C)cc2ccccc21	160696386	SESWXPCPWKGIDT-AWEZNQCLSA-N	288.391	2.798	70	20	CFID	
CCC[C@@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1	160792699	CRSKEAQEKOEJQG-GFCCVEGCSA-N	286.379	2.621	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCOCC1	160933963	BWFVAQUTJGHMRE-OCCSQVGLSA-N	253.386	2.840	70	20	CFID	
CC1(C)C[C@@H](NC(=O)N2CCCCCC2)CCO1	159868014	UBKGOKSSMMAMDH-LBPRGKRZSA-N	254.374	2.530	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)CSC	159939855	OWEFEYKKKCWAAE-GWCFXTLKSA-N	279.405	2.798	70	20	CFID	
CN(C(=O)Nc1c(F)cccc1F)[C@@H]1CCSC1	159378494	VWVBFRDRJIODOR-MRVPVSSYSA-N	272.320	2.934	70	20	CFID	
Cc1ccc(C)c(OCCCN(C)[C@@H](CN)C2CC2)c1	159989383	CVNZKIXWSUEQID-INIZCTEOSA-N	276.424	2.741	70	20	CFID	
Cc1ccc(OCCCNC(=O)NCc2ccco2)cc1	217297837	LCKUPZFMUDXDJI-UHFFFAOYSA-N	288.347	2.856	70	20	CFID	
CCO[C@H]1C[C@H](NCc2cc(OC)ccc2OC)C1(C)C	217893916	NTRVHCLJYIFGES-HOTGVXAUSA-N	293.407	2.997	70	20	CFID	
COc1ccc(Cl)cc1NCc1nnc2n1CCCC2	217317582	CMMPNGUUYAFBSW-UHFFFAOYSA-N	292.770	2.889	70	20	CFID	
CCCCc1ccc(C(=O)NC[C@@](C)(O)CSC)cc1	217625593	LIZKSBOAKWYFAI-MRXNPFEDSA-N	295.448	2.873	70	20	CFID	
COc1ccc(OCCSCc2ccnn2C)cc1	161355669	WOVVYIWWZYGGBN-UHFFFAOYSA-N	278.377	2.741	70	20	CFID	
Cc1cc(C[C@H](C)NC(=O)CC2CCCCC2)n[nH]1	161474505	OOBLBBGSLUYCSA-NSHDSACASA-N	263.385	2.736	70	20	CFID	
Cc1cc2c(cc1C)O[C@H](C(=O)NCC1(C3CC3)CC1)C2	160182545	UHLWPYXSJLDEDW-INIZCTEOSA-N	285.387	2.913	70	20	CFID	
C[C@H](CC1CC1)NC(=O)NCCOc1ncccc1Cl	160411289	BQEMVHRLDFAELO-SNVBAGLBSA-N	297.786	2.602	70	20	CFID	
COCC(C)(C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	160728285	QFISGIDGHZFNKU-QLFBSQMISA-N	273.376	2.504	70	20	CFID	
CC[C@@H](N[C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1	160850726	ZFCFXOCBTWUPRC-ZACQAIPSSA-N	277.408	2.905	70	20	CFID	
C[C@H]1CN(C)CC[C@@H]1NC[C@@H]1CCc2ccccc21	160974573	VLLLFZPGHBUGSS-QRTARXTBSA-N	258.409	2.646	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)CC2CC2)c1C	159614941	MWRFOCDFMBBSCY-UHFFFAOYSA-N	264.373	2.865	70	20	CFID	
Fc1cc2ncc(N3CCOC[C@@H]3C3CC3)nc2cc1F	159678652	DMZPQKKSQVYQTL-CQSZACIVSA-N	291.301	2.523	70	20	CFID	
CCCCNc1ccccc1C(=O)N[C@@H]1CCC[C@H]1O	159925561	BUUXXPKSMSUDPM-HUUCEWRRSA-N	276.380	2.542	70	20	CFID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](CC2CCCC2)C(C)C)C1	159547647	GJPWYZBHWNWWNN-HZPDHXFCSA-N	294.439	2.576	70	20	CFID	
CC(C)(C)c1ccccc1NC(=O)NC1(CO)CC1	159955891	RLCMEWSSXBOXHE-UHFFFAOYSA-N	262.353	2.631	70	20	CFID	
CSc1cccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	159790104	DBTXRQAGUWFXLA-KLPPZKSPSA-N	280.393	2.834	70	20	CFID	
COc1cc(OC)nc(N[C@H](C)CCc2ccco2)n1	159781643	OROMKOBRAFTTFM-SNVBAGLBSA-N	277.324	2.520	70	20	CFID	
C[C@H]1C[C@@H](NCCO)c2cccc(Br)c21	159707141	QTXGXCJEDOVNNH-GZMMTYOYSA-N	270.170	2.579	70	20	CFID	
COC[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)C(C)C	160882140	QJSAVUFUPCJMRU-NVXWUHKLSA-N	278.440	2.768	70	20	CFID	
COC(=O)c1[nH]c(C)c(C(=O)Nc2ccsc2)c1C	161024211	AFYSXQRXPWXZKL-UHFFFAOYSA-N	278.333	2.732	70	20	CFID	
Cc1nnc2ccc(N[C@@H]3CCCc4sccc43)nn12	161075876	URYBUCAYYUKHAH-LLVKDONJSA-N	285.376	2.984	70	20	CFID	
CCOc1ccccc1NC(=O)CCSCCOC	161266339	NNOIZBQCBOAXQP-UHFFFAOYSA-N	283.393	2.794	70	20	CFID	
CCC(CC)N(CCOC)C(=O)C[C@@H](C)SC	160162804	JMXRIZAFXFWFKK-LLVKDONJSA-N	261.431	2.792	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C	160165514	NMYKCBWUSUCNQS-GHMZBOCLSA-N	257.374	2.517	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2cc(C)ccc2o1	160192966	VLMAZCOCMLLDSY-LLVKDONJSA-N	289.331	2.813	70	20	CFID	
Fc1ccc2c(N3CCC(n4ccnn4)CC3)ccnc2c1	160194707	DHHSYENSVYKMBR-UHFFFAOYSA-N	297.337	2.807	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)NC[C@]1(O)CCSC1	160217405	DFRVCJBOLUPGFB-SWLSCSKDSA-N	285.453	2.577	70	20	CFID	
CCN(CC(=O)N[C@@H]1CCCc2sccc21)C1CC1	160385013	LIGOTJWYVFLRPG-CYBMUJFWSA-N	278.421	2.726	70	20	CFID	
C[C@]1(O)CCCN(C(=O)NCCCC2CCCCC2)C1	160389801	LYVJQULHSRLUPJ-INIZCTEOSA-N	282.428	2.903	70	20	CFID	
C/C=C(\C=C\C(=O)NCC(=O)N1CCc2ccccc21)CC	160452749	YXYZXTZQEHJOLS-NZBXDPCTSA-N	298.386	2.604	70	20	CFID	
C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160502445	RZCWAPVSSBTWJD-FZMZJTMJSA-N	299.378	2.792	70	20	CFID	
COc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)cc1F	160569409	QIBZWZGZHZNYBT-CMPLNLGQSA-N	296.342	2.602	70	20	CFID	
CC(C)(O)CN[C@H]1CCCOc2c(Cl)cccc21	160603210	NVFKHOBVXZFZTN-LBPRGKRZSA-N	269.772	2.914	70	20	CFID	
CCC[C@H](C(=O)N1CCN(c2ccccn2)CC1)C(C)C	160941413	LDXQTWPXJGJNLP-HNNXBMFYSA-N	289.423	2.803	70	20	CFID	
CC(C)CN(CC(N)=O)C(=O)C[C@@H](C)C1CCCCC1	159661830	CNHIMRPLFRYMQG-CYBMUJFWSA-N	282.428	2.563	70	20	CFID	
O=C(NCCCCCOC1CCCCC1)[C@H]1CCCCN1	159533377	CCLQKNRHVCEVNS-MRXNPFEDSA-N	296.455	2.764	70	20	CFID	
CCN1CCC(CNCc2cccc3c2NCCC3)CC1	159398944	WFRLBJGJYISDQV-UHFFFAOYSA-N	287.451	2.866	70	20	CFID	
CSc1ccc(CN(C)Cc2ccnn2C)cc1	160912919	BLBUTPYBXJFFFW-UHFFFAOYSA-N	261.394	2.774	70	20	CFID	
C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@H]1N	161214262	DBWZRCSZXSAZRT-JOYOIKCWSA-N	292.379	2.850	70	20	CFID	
O=C(/C=C\c1ccc(Cl)cc1)NC[C@H]1CCCCN1	217437254	YOCRSEZRFOHHJC-DEBLGDTFSA-N	278.783	2.612	70	20	CFID	
C[C@@H](O)CCOc1c(F)cc(F)cc1Br	161016787	NMJSKQAAZVMMDW-ZCFIWIBFSA-N	281.096	2.877	70	20	CFID	
CCOCC1(CS(=O)(=O)Cl)CCCCC1	114474548	UAFIDKNEXNDEOI-UHFFFAOYSA-N	254.779	2.542	70	20	CFID	
CCC(C#N)(CC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	875551278	QNMRMMUFKMGQJC-UHFFFAOYSA-N	298.339	2.613	70	20	CFID	
C[C@@H]1CN(C[C@@H](O)c2cc3ccccc3o2)CCCO1	217603467	MYRORXNAGJOYDJ-TZMCWYRMSA-N	275.348	2.577	70	20	CFID	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)nc2ccccn12	161301270	HHAFDPYWLFHXHA-CVEARBPZSA-N	298.434	2.701	70	20	CFID	
CCCSCCOc1cccc(S(C)(=O)=O)c1	161316093	TVNSQGXEJQXXBR-UHFFFAOYSA-N	274.407	2.612	70	20	CFID	
CCCNC(=O)CCC(=O)N1CCc2c(Cl)cccc21	161492489	MXAYVZRIDRCDJI-UHFFFAOYSA-N	294.782	2.536	70	20	CFID	
COC[C@@H](C)NCCCc1cn(-c2ccccc2)nc1C	160042388	OCPDLHPFTQMKJJ-CQSZACIVSA-N	287.407	2.738	70	20	CFID	
CCc1nc(CN[C@H](c2ccc(OC)cc2)C(C)C)n[nH]1	160282016	YDJGCDOLNVESFH-INIZCTEOSA-N	288.395	2.863	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@](C)(O)C1	160538496	ZBWBMIBDPJJZKU-UMVBOHGHSA-N	268.401	2.512	70	20	CFID	
CCC[C@@H](C(=O)Nc1c(OC)ncnc1N(C)C)C(C)C	160621824	MDBDNEOTDRPRQD-LLVKDONJSA-N	294.399	2.562	70	20	CFID	
Cc1ccoc1C(=O)N1CCc2c(F)cccc2C1	160807498	RJOGTHOZCNHFMH-UHFFFAOYSA-N	259.280	2.926	70	20	CFID	
CCc1cc(NC(=O)C[C@H](C)c2ccncc2)nc(C)n1	160849101	PVBYKQBTSPDEGZ-NSHDSACASA-N	284.363	2.875	70	20	CFID	
CN(CCc1cccs1)C(=O)NCCc1cscn1	159424559	SXFSHSSGAFUECE-UHFFFAOYSA-N	295.433	2.631	70	20	CFID	
CCCC(O)(CCC)CC(=O)NC[C@H](O)c1ccsc1	159621976	MOXTUBVZJKFMAL-ZDUSSCGKSA-N	299.436	2.619	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H]1CCc2c(F)cc(F)cc21	159976537	PAMKMRNTROHUNC-OAHLLOKOSA-N	296.361	2.704	70	20	CFID	
CCSCC[C@@H](C)N[C@@H]1CCOC2(CCOCC2)C1	160159617	OMQNOMDQMZXTAL-ZIAGYGMSSA-N	287.469	2.836	70	20	CFID	
CC1(O)CCN(Cc2cc(-c3ccccc3)no2)CC1	161224893	UTXIJLVHCBCCOE-UHFFFAOYSA-N	272.348	2.688	70	20	CFID	
Cc1ccc(OCCN(C)C[C@@H](O)Cc2ccccc2)cc1	218763292	YFDPYQCUICPBTQ-SFHVURJKSA-N	299.414	2.909	70	20	CFID	
CO[C@H]1C[C@H](Nc2ncnc3c2CCCC3)C1(C)C	217813111	GVFRYBFPJLAEBZ-STQMWFEESA-N	261.369	2.581	70	20	CFID	
Nc1cccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)c1	217958576	XCRWTYQCOWDAAV-SWLSCSKDSA-N	294.420	2.612	70	20	CFID	
C[C@H](NC1CCN(C)CC1)c1ccc(F)cc1N(C)C	161505620	OXQRBTJCQUDELE-LBPRGKRZSA-N	279.403	2.637	70	20	CFID	
Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](N)C3)on2)cc1	161506436	SKJNALHEHHAHOH-UONOGXRCSA-N	299.374	2.650	70	20	CFID	
O=C(C[C@@H]1CSCCS1)Nc1ccc(Cl)cn1	160073494	SAMJNYRVROPGOH-SECBINFHSA-N	288.825	2.912	70	20	CFID	
CCCn1nc(C)c([C@@H]2NC(=O)c3ccccc3N2)c1C	160144106	NDMFYNMYFOGMQK-HNNXBMFYSA-N	284.363	2.764	70	20	CFID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCCCCC1	160382881	FTXIUMHNCOFHQQ-ZIAGYGMSSA-N	266.385	2.530	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)CCOc1ccccc1	159444742	ISDMPHIQTDJQDM-GDBMZVCRSA-N	261.365	2.960	70	20	CFID	
CCC(CC)(CC)NC(=O)NCCc1cscn1	159469072	MAKPMAVZMZYOHJ-UHFFFAOYSA-N	269.414	2.954	70	20	CFID	
CCCCn1ncc(C(=O)Nc2ccc(OC)nc2)c1C	159551601	NGDMRBNKAUKXRR-UHFFFAOYSA-N	288.351	2.648	70	20	CFID	
C/C=C/C=C/C(=O)N[C@H]1CCCc2cc(N)ccc21	159373697	RVFPVZPKGAFUAY-GCWAHRFFSA-N	256.349	2.895	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)[C@@H]2CCOC2)C1	159579423	IYYWQECHSJPSNO-VXGBXAGGSA-N	277.389	2.798	70	20	CFID	
CCc1noc(C)c1CSCC(=O)Nc1cc(C)on1	159979008	FGGDLCGNJZBMHU-UHFFFAOYSA-N	295.364	2.714	70	20	CFID	
CC1(C)CC[C@@H](COC(=O)c2ccc(N)cc2F)O1	160786472	LUNURFHQVNIIFB-JTQLQIEISA-N	267.300	2.522	70	20	CFID	
Cc1ccc(C)c(SCC(=O)N[C@@H]2CCC[C@H](N)C2)c1	161418555	QVFCZCKYWXKUTL-UONOGXRCSA-N	292.448	2.782	70	20	CFID	
CCCn1c(CS(=O)(=O)Cl)nc2ccccc21	110498695	LOTLKZKQXHIBQM-UHFFFAOYSA-N	272.757	2.515	70	20	CFID	
CCN(CCN[C@@H]1CCCc2ccc(O)cc21)C1CC1	217439145	RSZKVIKRDZPXDK-QGZVFWFLSA-N	274.408	2.844	70	20	CFID	
CCc1ccc(CCNC(=O)N(C)Cc2cccn2C)cc1	161039781	ZMJLKUYNXINKQX-UHFFFAOYSA-N	299.418	2.972	70	20	CFID	
COCCn1c(SCc2nccs2)nc(C)c1C	161255812	YLCCIPWBZIMDOW-UHFFFAOYSA-N	283.422	2.895	70	20	CFID	
Cc1cc(N)nc(SCC(=O)CCC2CCCC2)n1	160049601	VGMQNLHDECWZPI-UHFFFAOYSA-N	279.409	2.999	70	20	CFID	
CC[C@H](NC(=O)[C@H](C)CSC)c1c(C)noc1C	160307590	WRVOLMTWOYOISN-KCJUWKMLSA-N	270.398	2.858	70	20	CFID	
CC(C)CCSCC(=O)NCCc1cccc(O)c1	160224027	XCFWGEDZGNEJLI-UHFFFAOYSA-N	281.421	2.830	70	20	CFID	
CCCC(=O)Nc1ccccc1N1CCC(CO)CC1	160292452	DIIMLFHZDJQWPZ-UHFFFAOYSA-N	276.380	2.634	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)c(CC)s1	160368444	YHVSLHPXPPBIGE-SNVBAGLBSA-N	283.393	2.690	70	20	CFID	
CCC[C@@H](C)CC(=O)N1CCCN(CCC)CC1	160370582	LKWVBPMUKIEZEJ-CQSZACIVSA-N	254.418	2.757	70	20	CFID	
COc1ccc([C@@H](C)CCNC(=O)[C@@H](N)C(C)(C)C)cc1	160553232	YUFWSBAHACCTPM-SWLSCSKDSA-N	292.423	2.678	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](CC)c1ccccc1	160571700	OTNDKZVBNOMYJP-GXTWGEPZSA-N	277.364	2.638	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@@H](C)Cc1ccccc1F	160577811	KMCUVYZDVOFCMT-NWDGAFQWSA-N	267.344	2.688	70	20	CFID	
CCN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CCCC1	160584567	ASUKZUMTOXLQNZ-ZFWWWQNUSA-N	280.412	2.918	70	20	CFID	
Cc1cc(C)cc(CCNC(=O)CCCCCCN)c1	160588697	YQSJZGUFOANTJK-UHFFFAOYSA-N	276.424	2.871	70	20	CFID	
CC1=C(C(=O)N(C)CCOc2ccc(F)cc2)CCCO1	160787357	OXXMBBFDUYWAAU-UHFFFAOYSA-N	293.338	2.747	70	20	CFID	
CC[C@@H](O)CCNC(=O)N[C@H](C)c1cc(C)ccc1OC	160803298	LTJWZPDGGOJNIS-CHWSQXEVSA-N	294.395	2.525	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccncc1	160851551	CJNYGKANBQDJKY-AWEZNQCLSA-N	274.364	2.693	70	20	CFID	
O=C(CC1CCOCC1)N[C@@H]1CCOC2(CCCCC2)C1	160889791	NWBNLDVZUIBQLL-OAHLLOKOSA-N	295.423	2.801	70	20	CFID	
CSC[C@@H](C)C(=O)N1CCc2c(F)cccc2C1	160928852	XYVPGSFRZZIAKP-SNVBAGLBSA-N	267.369	2.710	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)C1CCOCC1	159826338	RVXMDFZEAFLZMM-GFCCVEGCSA-N	265.378	2.668	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)CC(C)(C)O	159630413	VFDWKGOQVAZBEC-UHFFFAOYSA-N	294.782	2.973	70	20	CFID	
O=c1c2ccoc2ccn1Cc1ccc(Cl)cn1	159538422	TZUWIJAQMPKQHW-UHFFFAOYSA-N	260.680	2.691	70	20	CFID	
c1cc(CN2CCC(N[C@@H]3CCCSC3)CC2)ccn1	159541384	WAQXGEGXTDZXQU-MRXNPFEDSA-N	291.464	2.531	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc([C@H](C)[C@@H](C)N)n1	159952770	AUIFBODDDUGMJF-NQBHXWOUSA-N	275.352	2.646	70	20	CFID	
CCc1nc(CN[C@H](C)c2cc(C)cc(C)c2)n[nH]1	160420228	JXLYREHVHSLDIT-GFCCVEGCSA-N	258.369	2.835	70	20	CFID	
CC1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1	161304122	SGBLSIFQJYEXGY-UHFFFAOYSA-N	293.794	2.745	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc2cc[nH]c2c1	160870589	ISRSNKXXGUVPEQ-UHFFFAOYSA-N	267.332	2.779	70	20	CFID	
C[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccccc1	218461193	HKPUMDHSXFAMIP-DZGCQCFKSA-N	281.421	2.629	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](C)[C@@H]2C)cc1	161342415	FHPIKYNGTCHZRI-MELADBBJSA-N	276.380	2.875	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)C=C(C)C)n1	161345902	ORHZLOSQMBJGID-UHFFFAOYSA-N	270.336	2.939	70	20	CFID	
CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccc(C)nc2)C1(C)C	161428788	VMQUMWFBGXFMGT-DOMZBBRYSA-N	277.368	2.715	70	20	CFID	
O=C(NCCc1nc2ccccc2s1)[C@H]1CCCCO1	160199685	XFMIPHPRVILYTN-GFCCVEGCSA-N	290.388	2.524	70	20	CFID	
COCCC1(CNC(=O)NCC2(C3CC3)CC2)CCC1	160389544	FBXBYIHKVBTANF-UHFFFAOYSA-N	280.412	2.683	70	20	CFID	
CC(C)CN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CC1	160459760	YLAOCAXMUXQUGV-DZGCQCFKSA-N	280.412	2.774	70	20	CFID	
CCN(CCCS(=O)(=O)C(C)C)Cc1ccccc1	160491687	OIBHACMLCTZXRQ-UHFFFAOYSA-N	283.437	2.722	70	20	CFID	
CCC(=O)c1cccc(NC(=O)c2cccnc2O)c1	160791339	LPXVEGRBCJIVNU-UHFFFAOYSA-N	270.288	2.632	70	20	CFID	
COc1cc(C(=O)NCc2c(C)noc2C)ccc1Cl	160019414	ZRCHKQXIHGUUKH-UHFFFAOYSA-N	294.738	2.883	70	20	CFID	
Fc1cccc(CCN(CCn2ccnc2)C2CC2)c1	159828589	JCWHVERZZFTDFQ-UHFFFAOYSA-N	273.355	2.729	70	20	CFID	
Cc1cc(C)cc(CCN[C@@H](C)c2cnccn2)c1	159475881	ZJIYGJYTPVSTDE-AWEZNQCLSA-N	255.365	2.987	70	20	CFID	
C[C@H](O)C[C@@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1	159882755	VEXLTSMMBKSXNQ-XEZPLFJOSA-N	275.392	2.703	70	20	CFID	
Cc1c([C@H](NC(=O)[C@@H](C)N)C(C)C)oc2ccccc12	159696060	HEVHRLACGVYTRY-BXUZGUMPSA-N	274.364	2.902	70	20	CFID	
Cc1ccc2c(c1)N(C(=O)CCNC(C)C)CCC2	159748435	YFJATOAQFCGOML-UHFFFAOYSA-N	260.381	2.662	70	20	CFID	
c1cc2c(c(CNCCc3ccncc3)c1)NCCC2	159376150	KTBQJEAGQIOXHZ-UHFFFAOYSA-N	267.376	2.772	70	20	CFID	
CC(C)c1nc(CN(C)C[C@H]2CCC[C@@H]2O)cs1	159482196	YYFQFTFWIWBFNJ-YPMHNXCESA-N	268.426	2.859	70	20	CFID	
CONC(=O)c1cnc2ccccc2c1C(F)(F)F	218729630	IKPXKTQRUZTQOP-UHFFFAOYSA-N	270.210	2.545	70	20	CFID	
CCCCCNC(=O)NCCc1ccccc1F	217349180	BKCFZGRCGSCOGY-UHFFFAOYSA-N	252.333	2.858	70	20	CFID	
CSc1ccc([C@H](F)CS(=O)(=O)Cl)cc1	1537959151	ZDMBPUNSGSGHES-SECBINFHSA-N	268.762	2.988	70	20	CFID	
CCC1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1120944327	KOQGTYRSKDXFGW-UHFFFAOYSA-N	299.367	2.655	70	20	CFID	
O=C(OCc1ccccc1Cl)[C@H]1CCCCO1	159420993	FBHJDFXZEFSBIG-GFCCVEGCSA-N	254.713	2.952	70	20	CFID	
C[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccccc1	218461045	HKPUMDHSXFAMIP-ZFWWWQNUSA-N	281.421	2.629	70	20	CFID	
CCC[C@H](N)C(=O)NC(C)(C)c1cccc(Cl)c1	161163153	FDWXRNFVLSCNQL-LBPRGKRZSA-N	268.788	2.819	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCOC2)o1	161228286	LYWPVRZODILGLE-OCCSQVGLSA-N	293.363	2.516	70	20	CFID	
COc1ccnc(NC(=O)[C@@](C)(OC)c2ccccc2)c1	161415773	MBRPTCNFGSYKES-INIZCTEOSA-N	286.331	2.591	70	20	CFID	
CCOc1ccccc1[C@@H](C)N[C@@H](CCO)CSC	160366596	FFVQXURSKBJFTF-OLZOCXBDSA-N	283.437	2.850	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCCc1ccco1	160641662	BFNKKTZPRZGUOX-UHFFFAOYSA-N	275.352	2.810	70	20	CFID	
CC[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1	160912848	UUZPEEXCRLNKCW-SJORKVTESA-N	292.398	2.730	70	20	CFID	
Cc1nc(C(C)C)sc1[C@H](C)NCC(=O)NC(C)C	160925015	ZBERLEJLSJBIHI-JTQLQIEISA-N	283.441	2.750	70	20	CFID	
CC(C)CN1CCCC[C@H]1CNC(=O)N(C)C(C)C	160940967	ZMKOFRFUIAPQCX-AWEZNQCLSA-N	269.433	2.547	70	20	CFID	
CCN(C(=O)NC[C@@H]1CCCCN1CC(C)C)C(C)C	160985391	DGIQKDRBHYQMDP-HNNXBMFYSA-N	283.460	2.937	70	20	CFID	
CCOCCC1(CNC(=O)Cc2ccc(F)c(F)c2)CC1	159460658	CFWQQYAOGDVDAF-UHFFFAOYSA-N	297.345	2.830	70	20	CFID	
CS[C@H](C)CC(=O)NCCO[C@H]1CCCC[C@H]1C	159380789	WOKKLULZZAVVMT-UPJWGTAASA-N	273.442	2.840	70	20	CFID	
Cc1ccc(Cl)c(OC[C@H](O)CN2CCCCC2)c1	159508853	TVZAGAADBABGFQ-CYBMUJFWSA-N	283.799	2.874	70	20	CFID	
CC(C)=CCOC(=O)c1ccc(-n2cccn2)cc1	217402347	UIPFSAXUMPGMTE-UHFFFAOYSA-N	256.305	2.995	70	20	CFID	
C[C@@H](NC[C@@H]1CSCCS1)c1cscn1	161220845	IIOOCJBRGFNQLQ-RKDXNWHRSA-N	260.453	2.642	70	20	CFID	
Cc1cccc(NC(=O)NCc2ccc(CO)cc2)c1	217304743	AEVDRKFKHZBMFX-UHFFFAOYSA-N	270.332	2.809	70	20	CFID	
CC(C)n1cc(NC(=O)NCc2ccccc2)cn1	218193206	SZOAKEZCBMGFLC-UHFFFAOYSA-N	258.325	2.786	70	20	CFID	
CCCN(CC)c1ccc(C(=O)NC[C@@H](C)CCO)cc1	161065707	UHZVTPRRCCYQJK-AWEZNQCLSA-N	292.423	2.671	70	20	CFID	
Cc1cc(C[C@@H](C)NC(=O)[C@H](C)CC2CCCC2)n[nH]1	161293347	OWPUFFCHURSUOF-VXGBXAGGSA-N	277.412	2.982	70	20	CFID	
C[C@@H](NCC1(c2ccc(F)cc2)CC1)[C@H]1CCOC1	161352666	WDMWLAMCVUTEGO-OLZOCXBDSA-N	263.356	2.872	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1	161387517	IDHLUMNYHXAYCZ-HOTGVXAUSA-N	286.419	2.885	70	20	CFID	
Cn1cc(C(=O)NC2CC=CC2)c(-c2cccs2)n1	160021798	TWXCLHWDIGCRHV-UHFFFAOYSA-N	273.361	2.597	70	20	CFID	
Cn1cccc1CNc1cccc(C(=O)N2CCCC2)c1	160069962	OFEMFDJLRKNDTF-UHFFFAOYSA-N	283.375	2.873	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)c1ccccc1	160212828	BUTJOXGSWHHKBC-STQMWFEESA-N	277.364	2.638	70	20	CFID	
C1C[C@H](Nc2nnc(C3CC3)s2)C[C@H](C2CC2)O1	160352986	HVUCOCLQIGISJA-WDEREUQCSA-N	265.382	2.785	70	20	CFID	
CC[C@@H](NC(=O)Cc1c(C)noc1C)c1c(C)noc1C	160492944	UUARQDARSPUDCT-CYBMUJFWSA-N	291.351	2.706	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccccc1OCCCOC	160589854	LOPHBKCPNBGWJC-CYBMUJFWSA-N	295.379	2.856	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@@H](C)[C@H]2CCOC2)c1	159881321	KMVIRKGRHDDRFQ-ZFWWWQNUSA-N	290.407	2.940	70	20	CFID	
C[C@@H]1SCCN(C(=O)c2cccc3[nH]cnc23)[C@@H]1C	159601629	JBJNTJDQVJEYEM-ZJUUUORDSA-N	275.377	2.529	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)COCC1CC1	161118704	VFEWDSGTMGTAOP-ZIAGYGMSSA-N	253.386	2.840	70	20	CFID	
CCCC1(CNC(=O)Nc2cnc(CC)nc2)CC1	161127553	XRQWUBIKWCNPBV-UHFFFAOYSA-N	262.357	2.741	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)ncn1	161282403	VTXHLBHYUZASKG-UHFFFAOYSA-N	298.371	2.667	70	20	CFID	
Cc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cn1	161301712	YJVLTURCLCIURB-RBZFPXEDSA-N	288.416	2.978	70	20	CFID	
CCN(Cc1cccs1)C(=O)c1cc(C)ncn1	161445212	ABCNOYKKFLVNOV-UHFFFAOYSA-N	261.350	2.509	70	20	CFID	
O=C(CSC[C@H]1CCCCO1)NCC1(C2CC2)CC1	160175226	TXZJKHLFAIRCBD-CYBMUJFWSA-N	283.437	2.595	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](CC(C)C)c1ccccn1)CC2	160323955	YWJSOMDVLDJQSG-GDBMZVCRSA-N	299.422	2.673	70	20	CFID	
C[C@H](NC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1	160858237	AQXVPZBODNXECA-YQQAZPJKSA-N	276.424	2.522	70	20	CFID	
C[C@@H]1CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC[C@H]1C	160957639	YPUPTTJTFIYMRM-CHWSQXEVSA-N	299.378	2.777	70	20	CFID	
CCN(CC)C(=O)C[C@H](C)NC[C@@H]1CCc2ccccc21	160997339	CKXYXWFNZGWDRB-HOCLYGCPSA-N	288.435	2.953	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1noc2c1CCCC2	159803744	NXOIGNNJBSCVAC-CMPLNLGQSA-N	262.353	2.862	70	20	CFID	
CC(C)(C)CNC(=O)c1ccc(C(=O)NCC2CC2)cc1	159645540	RIUSHJKFGCNJTB-UHFFFAOYSA-N	288.391	2.602	70	20	CFID	
CCCCn1ncc(NC(=O)N(CC)CCOCC)c1C	159684505	ZQSWSRQYWHRAKT-UHFFFAOYSA-N	296.415	2.882	70	20	CFID	
CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)C1	159952509	KDXORASLAIAUQE-OUCADQQQSA-N	251.370	2.640	70	20	CFID	
NC1(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)CCCCC1	159478427	WVDXMJIWDHFRPF-GJZGRUSLSA-N	278.440	2.981	70	20	CFID	
COC(=O)c1ccc(CSC[C@@H]2CCCO2)s1	159686353	VCJREQAUXREQIS-VIFPVBQESA-N	272.391	2.947	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1	161178764	RSCGTRCJDMUGRD-UWVGGRQHSA-N	287.190	2.993	70	20	CFID	
CC[C@@](C)(O)CN(C)Cc1nc2c(s1)CCCC2	161387173	WUZJHPDTAJNJMK-CQSZACIVSA-N	268.426	2.615	70	20	CFID	
CC[C@@H](NCCN(C)CCOC)C1CCCCC1	159422674	IEYFTOVXXRSUSZ-OAHLLOKOSA-N	256.434	2.513	70	20	CFID	
CCC[C@H](C)NC(=O)[C@@H](C)N(CC)Cc1ccccn1	161080710	KMINYZHSDWPGEN-UONOGXRCSA-N	277.412	2.597	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cnc(N(CC)CC)s1	217397653	WQBYOBQEEHTLKW-ZDUSSCGKSA-N	298.500	2.809	70	20	CFID	
CC(C)c1ccc(C(=O)N(C)Cc2ccncc2)cn1	161189661	RHBWPMOXTGLDPJ-UHFFFAOYSA-N	269.348	2.872	70	20	CFID	
C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCOC(C)(C)C1	161170380	NFRPCHXPIDEPDK-JHJVBQTASA-N	268.401	2.822	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCn1cccn1	161205566	AVONYMVCZNVRFL-QWHCGFSZSA-N	289.404	2.563	70	20	CFID	
Cc1cc(C)cc(Cn2c(-c3ccccn3)noc2=O)c1	161328458	TZMKQWUJVUOVMP-UHFFFAOYSA-N	281.315	2.563	70	20	CFID	
COc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cn1	160042396	DZMGXXOXMJZSCJ-AAEUAGOBSA-N	275.352	2.887	70	20	CFID	
O=C(NC1(c2ccccc2)CCCCC1)[C@H]1CCCNC1	160050166	QTGKKAIKQMQKSJ-HNNXBMFYSA-N	286.419	2.962	70	20	CFID	
CCOc1ccc(CC(=O)NCCc2cccc(O)c2)cc1	160155384	JTOXIUNXPKJHJZ-UHFFFAOYSA-N	299.370	2.692	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)CC2	160414470	XURVSWYOEZYOHA-BBRMVZONSA-N	284.407	2.869	70	20	CFID	
Cc1csc(CCCCN[C@@H](C)[C@@H]2CCOC2)n1	160651490	RUZIJQAOQBLWFQ-QWHCGFSZSA-N	268.426	2.789	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c[nH]c1=O	159424675	UOPJGNLTQCZICM-ZIAGYGMSSA-N	286.306	2.565	70	20	CFID	
CCc1ccc([C@H](C)NC(=O)N2CCC[C@](C)(O)C2)cc1	159844996	RSBWKZXUPROONM-GUYCJALGSA-N	290.407	2.866	70	20	CFID	
CSCCCCC(=O)NCCN1CCCCCC1	159654768	ZGSHWHRAHAIEOV-UHFFFAOYSA-N	272.458	2.512	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)NC1CCN(CC)CC1	159588799	LQHVCUHYRQFBOX-MRXNPFEDSA-N	296.455	2.715	70	20	CFID	
CC[C@@H]1CCN(C(=O)C[C@H]2CNc3ccccc32)C1	159625740	MAFSFZCBMOJINR-OLZOCXBDSA-N	258.365	2.844	70	20	CFID	
CCSCC[C@H](C)NC(=O)c1ccc2c(c1)NCC2	160230561	UPLXCQMDWYRRNJ-NSHDSACASA-N	278.421	2.916	70	20	CFID	
Cc1cc(C(=O)NCc2ccccc2C(F)(F)F)no1	218559689	XZHIJHPLKJXPEX-UHFFFAOYSA-N	284.237	2.932	70	20	CFID	
O=C(Nc1cc(Br)ccn1)NC1CCCC1	217584921	YJHUNAOYTIPTAG-UHFFFAOYSA-N	284.157	2.908	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC	161030010	YHJXVNPLXXLGBU-CZUORRHYSA-N	277.364	2.756	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@@H](C)SC)n1	161188780	DWGQGTFPQMSLRZ-SECBINFHSA-N	290.392	2.724	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCCc2ccncc2C)o1	161386776	ICKVIVSMKOJJBG-VOTSOKGWSA-N	284.359	2.918	70	20	CFID	
CCC[C@@H](N)C(=O)NCCOc1cccc(C(C)(C)C)c1	160108339	XEJGPRJMIZIONH-OAHLLOKOSA-N	292.423	2.607	70	20	CFID	
O=C(NCCc1cccc(O)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1	160137184	XIKREGRAHQAMMO-IAGOWNOFSA-N	299.345	2.994	70	20	CFID	
c1nc2c(c(N[C@@H]3CCO[C@H](C4CC4)C3)n1)CCCC2	160418576	HNRMVVSORDTYLS-DOMZBBRYSA-N	273.380	2.725	70	20	CFID	
O=C(Nc1ccc(NC(=O)[C@H]2CCCCO2)cc1)C1CC1	160534444	FSPPHZPYVDKTIW-CQSZACIVSA-N	288.347	2.543	70	20	CFID	
CC1=C(C(=O)N(C)Cc2cccc(N(C)C)c2)CCCO1	160537042	SVGPTDWYUCVAGO-UHFFFAOYSA-N	288.391	2.795	70	20	CFID	
CC(C)[C@@H](C)N[C@H](CN1CCCC1=O)c1ccccc1	160683785	XYNBSQUWTUNKKJ-GDBMZVCRSA-N	274.408	2.984	70	20	CFID	
C[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1cccn1C	160817397	WOADEMBJTVEJDF-UKRRQHHQSA-N	278.396	2.579	70	20	CFID	
CCCCn1ncc(NC(=O)C(C)(C)COC)c1C	160832903	QJIMQMSAXLYRBX-UHFFFAOYSA-N	267.373	2.603	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H]1CCc2ccccc2C1	160834369	XHASITYEQSVIMD-HBUWYVDXSA-N	299.414	2.913	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1oc2ccccc2c1C	160858619	KNTPPAOTDLELNA-SNVBAGLBSA-N	289.331	2.813	70	20	CFID	
C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CCCN1	160915363	FZYPVJBEYIUPSN-JSGCOSHPSA-N	252.402	2.604	70	20	CFID	
COCc1cccc(CNC(=O)C[C@H](C)SC)c1	159437180	HDMWJXZVRCMBAW-NSHDSACASA-N	267.394	2.591	70	20	CFID	
Cc1csc(CNC(=O)N2CCC3(CCC3)C2)n1	159633231	HUNYEVORPIXQQT-UHFFFAOYSA-N	265.382	2.537	70	20	CFID	
CCC[C@](C)(O)C(=O)NCc1ccc(OC)c(Cl)c1	159502046	YKTGAFXMFFMHJL-AWEZNQCLSA-N	285.771	2.516	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2CCCC2)n1	159910560	JJUWBUMPJQJPRG-UHFFFAOYSA-N	250.346	2.557	70	20	CFID	
CCCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)nc1	159747848	SIEWMBMOVIKIAX-CYBMUJFWSA-N	291.395	2.804	70	20	CFID	
CC(=O)c1ccc2cc(OS(=O)(=O)F)ccc2c1	1887503777	UGQAWWZOSQTMNV-UHFFFAOYSA-N	268.265	2.636	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1Cl	161111914	ZLVWFBMFZTXROY-VXGBXAGGSA-N	266.772	2.648	70	20	CFID	
CC1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1	2088595726	HPBJIVDKHVGBFW-UHFFFAOYSA-N	287.356	2.512	70	20	CFID	
CC(C)=C(F)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123146483	ZOUPICAYXLHEKR-UHFFFAOYSA-N	275.276	2.547	70	20	CFID	
CCCN(CCO)Cc1cccc(OC)c1OC(F)F	161217664	MNQMDRBOGHZYEE-UHFFFAOYSA-N	289.322	2.501	70	20	CFID	
CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1516700799	BDHNEIFXIWFBLZ-JQWIXIFHSA-N	299.367	2.748	70	20	CFID	
CC[C@@H](O)CCNC(=O)CCCOc1ccc(C)cc1C	161282950	IPYNLMXQPKQOGJ-OAHLLOKOSA-N	293.407	2.740	70	20	CFID	
CCCCNc1ccccc1C(=O)NCCCOC	161371170	PAQXOPILASYSHM-UHFFFAOYSA-N	264.369	2.665	70	20	CFID	
Cc1ccc(NC(=O)N[C@H]2COc3ccccc3C2)cn1	161486642	GDENRMRMSRLVFG-CQSZACIVSA-N	283.331	2.515	70	20	CFID	
CCC(C)(C)NC(=O)[C@@H](C)Sc1ccncc1	160026104	DNBAOEOMRATFGD-SNVBAGLBSA-N	252.383	2.867	70	20	CFID	
COc1ncccc1C(=O)N[C@H]1CCCc2sccc21	160079593	JMNIPCGNDBLLBM-LBPRGKRZSA-N	288.372	2.959	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)CC1CCCC1	160103324	PXEBEYLOOPGDGA-GJZGRUSLSA-N	294.439	2.768	70	20	CFID	
CC(C)(N)CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	160123623	GMNSHFLYFZODJV-CVEARBPZSA-N	282.387	2.797	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCCCOCC(F)(F)F)C1	160259299	RRSZDNVZBLUCEL-MNOVXSKESA-N	281.318	2.898	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC2CCCC2)n1	160348410	IJXKWVORSMHJQM-UHFFFAOYSA-N	264.373	2.993	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H]1C	160605947	UGUNCEHINHKTGN-DTWKUNHWSA-N	290.289	2.708	70	20	CFID	
C[C@@H](NC[C@H]1CCc2ccccc21)c1cnccn1	160973288	WGKSUKLEADHCLC-TZMCWYRMSA-N	253.349	2.857	70	20	CFID	
CCOc1ccc(NC(=O)N[C@@H](COC)C2CC2)cc1F	159411392	WYBMLNPBUNWGRA-ZDUSSCGKSA-N	296.342	2.771	70	20	CFID	
COCCCN(C)Cc1ncc(-c2ccccc2F)o1	159687610	CZIQLWFWFOAHNK-UHFFFAOYSA-N	278.327	2.949	70	20	CFID	
CCCCCc1nnc(NC(=O)[C@@H]2CCCCO2)s1	159739422	KESDHZBRMOEYRM-JTQLQIEISA-N	283.397	2.778	70	20	CFID	
C[C@@H](CCc1ccc(O)cc1)NCC1(CO)CCCC1	160070381	FMNDXVBDYBUFSD-AWEZNQCLSA-N	277.408	2.856	70	20	CFID	
C[C@@]1(C(=O)Nc2nc3c(s2)CCCCC3)CCCNC1	161323632	HODRSGYKWUTNAR-OAHLLOKOSA-N	293.436	2.740	70	20	CFID	
CC(C)CCN(CCC(C)C)Cc1nncn1C	160762014	ZTNAQYOALZSFMN-UHFFFAOYSA-N	252.406	2.709	70	20	CFID	
CCCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CC1	460090905	IZTYJKYVLJNPBY-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1[C@H](C)CC[C@H]1C	1121076801	KYHIDCZWZBIDSS-GHMZBOCLSA-N	299.367	2.666	70	20	CFID	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CCNCC1	217821469	GYTVFSDEKLXHHG-SNPRPXQTSA-N	266.429	2.563	70	20	CFID	
Cc1nccc2cc(S(=O)(=O)Cl)cc(F)c12	536958718	HUOKCVHQYHSLOX-UHFFFAOYSA-N	259.689	2.610	70	20	CFID	
O=S(=O)(F)c1ccc(C2CCCCC2)nc1F	536954654	XFXGZGLCJDTNHB-UHFFFAOYSA-N	261.293	2.927	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ccccc1OC	161064463	HHPYMNFOMVETHF-LJQANCHMSA-N	279.361	2.862	70	20	CFID	
CCCCOc1cccc(NC(=O)C[C@@H]2COC(=O)C2)c1	161068151	PTHMGAHSXMPIAC-LBPRGKRZSA-N	291.347	2.757	70	20	CFID	
CCc1ccc(CC(=O)NC[C@H](C)CN2CCCC2)cc1	161068845	ADGOPINSDBFZIF-HNNXBMFYSA-N	288.435	2.640	70	20	CFID	
CCNCC1CCN(C(=O)c2cc(C)n(CC)c2C)CC1	161080518	NASROVROFKRMPP-UHFFFAOYSA-N	291.439	2.587	70	20	CFID	
Cc1cccc(OCCCC(=O)N[C@@H]2CCC[C@@H](N)C2)c1	161175257	SSJLMYJSRKAMFP-HUUCEWRRSA-N	290.407	2.540	70	20	CFID	
COc1cc(OC)cc(OCc2nccs2)c1	161182179	IKQAUFJZVLZAJM-UHFFFAOYSA-N	251.307	2.739	70	20	CFID	
C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C)(O)CC2)o1	161280504	YHZJUDYNEQWOCN-GXTWGEPZSA-N	291.391	2.709	70	20	CFID	
O=C(/C=C/C1CCCCC1)N1CCOC[C@@H]1C1CC1	161373543	XLIUOLHFDHLCHD-RZIFZGNASA-N	263.381	2.760	70	20	CFID	
CS[C@@H](C)CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	161378323	HLDNGRBEEZUZJQ-ZFWWWQNUSA-N	294.464	2.856	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1	161447752	FZYLZZYYTAWTGG-WBMJQRKESA-N	298.386	2.832	70	20	CFID	
CC(=O)Nc1cccc([C@H](C)NCC2(CO)CCCC2)c1	160102436	VLRVQOAQWUIAOP-ZDUSSCGKSA-N	290.407	2.848	70	20	CFID	
CC[C@@H](C)OCC(=O)N1CCC[C@@H]1C1CCCC1	160249380	ZUZLWDPSRVXCHZ-TZMCWYRMSA-N	253.386	2.983	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](CC)c1ccccc1	160571846	OTNDKZVBNOMYJP-OCCSQVGLSA-N	277.364	2.638	70	20	CFID	
C[C@@H](C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)N1[C@H](C)CC[C@H]1C	160613387	SIJKZYDZHVKSAP-IHIHXPEDSA-N	298.430	2.702	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)CCCOc1cccc(F)c1	160651933	HZGFYRMWSCRSLP-HNNXBMFYSA-N	297.370	2.508	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccccn1	160699853	UXWGJUBHXHZFNK-SNVBAGLBSA-N	274.345	2.534	70	20	CFID	
CCCCNC(=O)N[C@](C)(CC)c1nccs1	160795354	AHSDRCKSVGYPLA-GFCCVEGCSA-N	255.387	2.868	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NC1(C(=O)OC)CCCCCC1	160879890	NUVISLUCQWILRF-IUODEOHRSA-N	281.396	2.805	70	20	CFID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)C1CCC1	159827140	CIRXCNXVHZHMNK-UHFFFAOYSA-N	266.429	2.755	70	20	CFID	
C[C@@H](CCn1cccn1)N[C@@H]1CC(C)(C)OC1(C)C	159495254	KMHHXOUACPNYHM-QWHCGFSZSA-N	265.401	2.597	70	20	CFID	
CC(C)[C@@H]1CN(C)CCN1c1nc(C(C)(C)C)ns1	159579462	WSISXZWSYCQCRD-NSHDSACASA-N	282.457	2.612	70	20	CFID	
CCCn1nccc1CN[C@@H](C)c1c(C)noc1C	160173591	VLZKBJDXSMUVLZ-JTQLQIEISA-N	262.357	2.749	70	20	CFID	
CO[C@]1(CNc2nc3ccc(F)cc3s2)CCOC1	160746378	WOLMUKAJLBBAFK-ZDUSSCGKSA-N	282.340	2.653	70	20	CFID	
Cc1cccc(C(=O)OC[C@@H]2CCC(C)(C)O2)c1N	160780334	HWQIDLRJOIANRK-NSHDSACASA-N	263.337	2.692	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@H]1CCOC1	160351642	HMWUXOIIDRTXNY-MNOVXSKESA-N	267.756	2.803	70	20	CFID	
CC1(C)CCCN(CCS(=O)(=O)F)c2ccccc21	883954743	YCJLFEKFNWOGKA-UHFFFAOYSA-N	285.384	2.864	70	20	CFID	
c1cnc(CNCC2C3CC4CC(C3)CC2C4)cn1	216834209	PQYBCACXDPXOKW-UHFFFAOYSA-N	257.381	2.639	70	20	CFID	
CS[C@H]1CCC[C@@H](Nc2nccn3c(C)nnc23)C1	218055544	CYUJDRWFAVSQDE-MNOVXSKESA-N	277.397	2.519	70	20	CFID	
COc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1N	161355885	OPTLDJCFVYEXOZ-LLVKDONJSA-N	285.347	2.805	70	20	CFID	
CC[C@@H](C(=O)Nc1cc(OC)ncn1)c1ccc(F)cc1	161362941	LVUQMSPAORLTOW-GFCCVEGCSA-N	289.310	2.757	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)N(C)C[C@@H]2CCCCO2)C1	161427619	LTRDIXRKRGIISH-RDBSUJKOSA-N	253.386	2.840	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCCC(C)(C)C	160081316	AMDYJPQLNGAUFH-LLVKDONJSA-N	257.374	2.661	70	20	CFID	
O=C(CCC(=O)c1ccccc1)NCCc1cccc(O)c1	160167644	UIZBQNPJVXIPTP-UHFFFAOYSA-N	297.354	2.714	70	20	CFID	
C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccco1	160223368	XKPGSONTIPYUOF-NXEZZACHSA-N	262.275	2.567	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CC(C)(C)c1ccccc1	160623964	QETJNWYPEWAWCB-ZDUSSCGKSA-N	291.391	2.812	70	20	CFID	
CCCC1(CNC(=O)c2cc(C(C)C)nn2C)CC1	160704982	QHFFBPRDBQQSPY-UHFFFAOYSA-N	263.385	2.854	70	20	CFID	
CC1(C)C[C@@H](NCC[S@](=O)c2ccccc2)C(C)(C)O1	160788015	JALFFFIYLOPXHO-JLTOFOAXSA-N	295.448	2.730	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1	159400746	NTNJENMABWAKFD-OLZOCXBDSA-N	293.436	2.618	70	20	CFID	
CSC[C@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159708415	IMYAFBWWYHMLDD-NSHDSACASA-N	284.429	2.802	70	20	CFID	
COCCOc1cccc(C(=O)NCC2(C3CC3)CC2)c1	159930156	RBMALJJMSOCNBL-UHFFFAOYSA-N	289.375	2.632	70	20	CFID	
Cc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)ncn1	159364459	FVHZLQACBRCOBK-UHFFFAOYSA-N	297.343	2.556	70	20	CFID	
Cc1ccc(C(=O)N(C)CCOCc2ccccc2)n1C	159391024	YUJTYQBAVSNDKW-UHFFFAOYSA-N	286.375	2.622	70	20	CFID	
CN(Cc1cc(-c2cccs2)on1)C[C@H]1CCC[C@@H]1O	159491468	UBDZRRFEAIZPEN-YPMHNXCESA-N	292.404	2.996	70	20	CFID	
CCn1nccc1CN(CCOC)Cc1ccccc1	160446132	ZXBJALXFPXHAHH-UHFFFAOYSA-N	273.380	2.552	70	20	CFID	
CN(Cc1cccc(N(C)C)c1)Cc1nnsc1Cl	159878927	NQWJDCYTBWEHSL-UHFFFAOYSA-N	296.827	2.890	70	20	CFID	
CCCCCC(=O)Nc1cccc(S(=O)(=O)F)c1	769660607	RZIOGSROZDGFFH-UHFFFAOYSA-N	273.329	2.864	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cnn(-c2ccccc2)c1	161280308	WMKGDDVMTPFELQ-LLVKDONJSA-N	275.377	2.952	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)NCC[C@@H](O)CC	160635125	TZHIZLBRZDHZPB-OLZOCXBDSA-N	258.406	2.663	70	20	CFID	
CCCC[C@H](CC)CNC(=O)NCC[C@@H](O)CC	160635248	TZHIZLBRZDHZPB-STQMWFEESA-N	258.406	2.663	70	20	CFID	
COc1cc(C)cc(CNC(=O)Nc2cccnc2)c1	160823098	ZUSHUWSIFSYRBP-UHFFFAOYSA-N	271.320	2.720	70	20	CFID	
O=C(NC1=NCCS1)C1(Cc2ccccc2)CCC1	160892043	LWSNMTYMIJNYOA-UHFFFAOYSA-N	274.389	2.618	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)c2cnccn2)C1	159601012	CMAKWIIQGCPQNZ-NSHDSACASA-N	285.372	2.865	70	20	CFID	
CCC[C@H](C)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159689688	YQONCSPUXIQTHL-VIFPVBQESA-N	290.285	2.785	70	20	CFID	
CO[C@@]1(CNC2CC(c3ccccc3Cl)C2)CCOC1	160120179	KMWPHNVUJLILRE-SEEARECTSA-N	295.810	2.981	70	20	CFID	
CCOCCCN1CCO[C@H](c2ccccc2F)C1	160369470	KXGWXAVVWPXJGZ-HNNXBMFYSA-N	267.344	2.626	70	20	CFID	
CN(C)c1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218694574	NCNPMBWKBGZCDE-GJZGRUSLSA-N	256.349	2.686	70	20	CFID	
COC[C@@H](NC[C@H](C)N(C)Cc1ccccc1)C1CC1	160899101	XQGMCULYKLEZHR-WMLDXEAASA-N	276.424	2.522	70	20	CFID	
CC(C)N(CC1CC1)C(=O)c1cccc(S(=O)(=O)F)c1	1336920832	MQCQETMRXPCAFE-UHFFFAOYSA-N	299.367	2.605	70	20	CFID	
c1cc(CN[C@H]2CCN3CCC[C@@H]3C2)c2[nH]ccc2c1	218114192	VQVAROVVPDZSND-JKSUJKDBSA-N	269.392	2.884	70	20	CFID	
CNC(=O)C(C)(C)CNc1ncc(-c2ccccc2)s1	161102138	COQCUYGEQGABBX-UHFFFAOYSA-N	289.404	2.994	70	20	CFID	
CCCOc1cccc(CCNC(=O)c2ccc[nH]2)c1	161239853	FSHHAUFACJSKOH-UHFFFAOYSA-N	272.348	2.776	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)c2ncoc2C)o1	161300562	XPBSGOFHJKONQG-LBPRGKRZSA-N	290.319	2.700	70	20	CFID	
Cc1c(NC(=O)N(C)C2CC2)cnn1CCC(C)C	161350915	SUDMMVYHHDEJTJ-UHFFFAOYSA-N	264.373	2.864	70	20	CFID	
CC[C@H](COC)NCC1(c2ccc(F)cc2)CC1	161375841	PXEQQBQATSNQFQ-CQSZACIVSA-N	251.345	2.872	70	20	CFID	
CC(C)CC[C@@H](NC(=O)[C@@H]1CCCNC1)C(C)(C)C	160072540	QPLYHBOLTODAFA-ZIAGYGMSSA-N	268.445	2.953	70	20	CFID	
CCCN(CCN(CC)CC)C(=O)Nc1nccs1	160537559	AWIDLIPFXOCBNF-UHFFFAOYSA-N	284.429	2.729	70	20	CFID	
CC(C)(O)CN[C@@H]1CCC[C@H]1c1ccc(F)cc1	160632588	CQGOZSYFCBJXBY-UONOGXRCSA-N	251.345	2.822	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)C1CCC1	160957377	RHGHCPUSRODADW-SECBINFHSA-N	251.351	2.626	70	20	CFID	
CC[C@@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)OC	159515554	RSECRCQURUJHTE-GXSJLCMTSA-N	287.306	2.890	70	20	CFID	
CCn1nccc1CNCc1ccccc1OC(C)C	160097758	ZQKBPFBDYVAGRZ-UHFFFAOYSA-N	273.380	2.980	70	20	CFID	
C[C@H](COCCC(C)(C)C)CS(=O)(=O)Cl	116968293	SWJBULHBEQWXII-SECBINFHSA-N	256.795	2.644	70	20	CFID	
O=C(NC[C@@H]1CCCO1)c1cc(F)c(Cl)cc1F	160645096	JFMVBNQQVHSUTJ-ZETCQYMHSA-N	275.682	2.527	70	20	CFID	
COc1ccc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)c(F)c1	218441772	IMUQDNNMLIREDR-QWRGUYRKSA-N	280.343	2.742	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NC[C@H](C)CN2CCCC2)on1	161078251	OFHDRUSYYIJBFG-QWHCGFSZSA-N	293.411	2.650	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)COCC1CC1	161118836	VFEWDSGTMGTAOP-UONOGXRCSA-N	253.386	2.840	70	20	CFID	
CS[C@@H]1CCC[C@@H](NC2CCC(NC(C)=O)CC2)C1	161503047	AJNOYXOQSFZMPP-NEXFUWMNSA-N	284.469	2.698	70	20	CFID	
CC[C@@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)N(C)C	160097328	ABBFACKOQWJTPW-OLZOCXBDSA-N	296.411	2.819	70	20	CFID	
CCCCOCC(=O)N[C@@H]1CCc2c(OC)cccc21	160118711	WDFJDQWTVIJGIE-CQSZACIVSA-N	277.364	2.615	70	20	CFID	
Cc1ccc(C(=O)C(=O)N(C)c2ccc3c(c2)OCO3)cc1	160217185	YRGCLEWQRPAMQX-UHFFFAOYSA-N	297.310	2.569	70	20	CFID	
COc1ccc([C@@H](C)[C@H](C)N[C@@H](CCO)CSC)cc1	160306445	YMEOILKLOHYRDS-YDHLFZDLSA-N	297.464	2.891	70	20	CFID	
COCCC1(CNC(=O)N[C@@H](C)CC2CC2)CCC1	160406682	AVYXEWCMACIJPR-LBPRGKRZSA-N	268.401	2.681	70	20	CFID	
Cc1ccccc1CN(C)Cc1cnc2cnccn12	160519033	DCVIQICNFCFBHO-UHFFFAOYSA-N	266.348	2.670	70	20	CFID	
CC[C@@H](O)CCNC(=O)N[C@@H](C)CCCC(C)C	160651451	HKHUDJYPIVZCTQ-QWHCGFSZSA-N	258.406	2.661	70	20	CFID	
O=C(CC[C@H]1CCOC1)N[C@H]1CCOC2(CCCCC2)C1	160934451	YVROJERHMKTFBL-GJZGRUSLSA-N	295.423	2.801	70	20	CFID	
CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2C)C1	159819989	QWZKGNDDNZEPHV-ZIAGYGMSSA-N	260.381	2.657	70	20	CFID	
Cc1ccc(-c2cc(NC(=O)[C@H]3CC[C@H](C)O3)[nH]n2)s1	159686384	LWSIZMWODFTWLI-GZMMTYOYSA-N	291.376	2.953	70	20	CFID	
COc1cc(OC)c(NC(=O)[C@H]2CCCCO2)cc1Cl	159742546	ILVYEXBOMVMNFZ-LLVKDONJSA-N	299.754	2.865	70	20	CFID	
CS[C@H](C)CNC(=O)NCCCN(C(C)C)C(C)C	159945916	OWROETHFIYVJKQ-CYBMUJFWSA-N	289.489	2.546	70	20	CFID	
Cc1nccc(NC(=O)N(CCN(C)C)C(C)C)c1Cl	159949432	IIHXZSHJJPLZMI-UHFFFAOYSA-N	298.818	2.847	70	20	CFID	
Cc1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@H]2C)c(C)c1	159778519	ZJIBQRVLCCRRGR-CZUORRHYSA-N	273.376	2.925	70	20	CFID	
CCOc1ccccc1CNCc1ccnn1CC	160107942	YQGKLRZEFPBNHC-UHFFFAOYSA-N	259.353	2.592	70	20	CFID	
CC[C@](C)(O)CN1CCC(OC2CCCC2)CC1	160770029	LBSFYCHQPJHRJV-HNNXBMFYSA-N	255.402	2.571	70	20	CFID	
O=S(=O)(Cl)Cc1cc(Br)cs1	105860265	AQNNPIFKIXJLHW-UHFFFAOYSA-N	275.576	2.579	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)c1ccccn1	160071531	MJUSLIMYCBAGCU-NSHDSACASA-N	258.346	2.951	70	20	CFID	
CCc1ncnc(NCC2CCSCC2)c1F	218017957	IBDBRJUPIXTVFJ-UHFFFAOYSA-N	255.362	2.733	70	20	CFID	
CCN(C(=O)c1cccc(S(=O)(=O)F)c1)C(C)(C)C	1337463047	MRMSHDOGEQZGIC-UHFFFAOYSA-N	287.356	2.605	70	20	CFID	
Nc1ccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1	217963235	CNNJJLAMRJRKBE-SWLSCSKDSA-N	294.420	2.612	70	20	CFID	
CCN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCC1	161158889	OWJVQSYSERCAIW-ZNMIVQPWSA-N	292.423	2.918	70	20	CFID	
CCC1CCC(CNC(=O)[C@H]2CCn3ccnc3C2)CC1	160239593	VPMDBYHQZGNTOE-NRXISQOPSA-N	289.423	2.778	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	160689850	MTBLARCIGCLLDS-CVEARBPZSA-N	286.350	2.926	70	20	CFID	
C[C@@H](CCc1ccccc1)NC(=O)NOCc1cccnc1	160983120	DRDBGHKUVAWTBF-AWEZNQCLSA-N	299.374	2.834	70	20	CFID	
Cc1cccc(O[C@@H](C)C(=O)NCC2(N)CCCCC2)c1	159459729	NBMDQYLPYJLIPV-AWEZNQCLSA-N	290.407	2.540	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCOC[C@@H]1C	159857686	ZHUSAHMBFBTWJM-VIFPVBQESA-N	292.766	2.991	70	20	CFID	
COCCCN(C)CCCc1cccc(OC)c1	159687485	FIGXJUWEUOPGBD-UHFFFAOYSA-N	251.370	2.596	70	20	CFID	
CCC(C)(CC)C(=O)NCCCC(=O)OC(C)C	159492363	NOJBDTIQBARRDJ-UHFFFAOYSA-N	257.374	2.661	70	20	CFID	
CC[C@H](NC(=O)C[C@@H]1CCCN1)c1ccc(F)cc1F	159730939	WASTTWYBFCEUFP-FZMZJTMJSA-N	282.334	2.674	70	20	CFID	
CCCn1c(C)nnc1CN1CCS[C@@H](C(C)C)C1	159977754	FTMFQNGYZRGBQB-CYBMUJFWSA-N	282.457	2.570	70	20	CFID	
CC[C@H](CCO)NC(=O)c1occc1-c1ccccc1	160120975	KVYUSTRGDUVQLY-CYBMUJFWSA-N	273.332	2.837	70	20	CFID	
Cc1cc(N)ccc1C(=O)OC[C@H]1CCC(C)(C)O1	160786732	SEJAXHQAKCTWGQ-GFCCVEGCSA-N	263.337	2.692	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1	160965487	GLMOJXBMIVIZEL-VXGBXAGGSA-N	286.297	2.705	70	20	CFID	
COc1ccc(NC(=O)NCc2ccc(CO)cc2)cc1	217267703	DHHKQBMJXVTTNQ-UHFFFAOYSA-N	286.331	2.509	70	20	CFID	
CC(C)=C(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	809281158	IFSFTTYCFKOICU-UHFFFAOYSA-N	271.313	2.640	70	20	CFID	
COc1cccc2cc(CNC[C@](C)(O)CSC)oc12	217864790	BRYYUNKUODMQGI-HNNXBMFYSA-N	295.404	2.645	70	20	CFID	
Cc1cc(S(=O)(=O)Cl)ccc1OC(F)F	106110962	NKWBEPKIQXSZJF-UHFFFAOYSA-N	256.657	2.524	70	20	CFID	
CCOC(=O)c1cccnc1NCC1(N(C)C)CCCC1	161040448	WGOFTYLIRHQHQS-UHFFFAOYSA-N	291.395	2.545	70	20	CFID	
CC(C)CNC(=O)N[C@H]1[C@H]2CCc3ccccc3[C@@H]21	161046054	PUSGBOCCPGMGLW-KKUMJFAQSA-N	258.365	2.670	70	20	CFID	
Cc1ccc(NC(=O)N(C)Cc2ccoc2C)cn1	161370930	YPLRENDBZCFTKK-UHFFFAOYSA-N	259.309	2.955	70	20	CFID	
CNC(=O)CCNC(C)(C)c1ccc(Cl)c(Cl)c1	161452200	GVFLBDMFIJFMSC-UHFFFAOYSA-N	289.206	2.954	70	20	CFID	
CCN(CC)[C@H](C)CNC(=O)[C@H](C)c1cccs1	160070991	FHGBWIRABUPSGO-VXGBXAGGSA-N	268.426	2.698	70	20	CFID	
O=C(CCC1CCCC1)CSc1nnnn1C1CC1	160174802	AWPJKRQDVNCFBX-UHFFFAOYSA-N	280.397	2.640	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)c[nH]3)[nH]2)o1	160360913	KQXYZYBZWMSIQW-UHFFFAOYSA-N	291.698	2.607	70	20	CFID	
CC1(C)C[C@@H](NCc2ccc(-n3cccn3)cc2)CCO1	160512011	WHSYCCMVPRGTNI-HNNXBMFYSA-N	285.391	2.920	70	20	CFID	
CSC[C@@](C)(O)CNC(=O)CC[C@H](C)c1ccccc1	160598601	IMPRWIAKNYFJLK-BBRMVZONSA-N	295.448	2.801	70	20	CFID	
COC[C@@H](NC(=O)Nc1cccc(F)c1C)C1CC1	160732380	NULOROYKAYRDNK-CYBMUJFWSA-N	266.316	2.681	70	20	CFID	
CC[C@@H](C(=O)N[C@@H](C)CCOC)c1ccc(F)cc1	159609097	NHWMCNJYQVJECY-SMDDNHRTSA-N	267.344	2.861	70	20	CFID	
C[C@@H](Cc1ccccc1F)C(=O)N(C)C[C@@H]1CCCOC1	159446014	PUSCTXFTRPMIEL-KBPBESRZSA-N	293.382	2.889	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1ccc2oc(N(C)C)nc2c1	159471886	NDGYQJOXNPGIBU-LBPRGKRZSA-N	299.378	2.981	70	20	CFID	
CC[C@H](NC(=O)[C@@H](N)CC(C)C)c1ccc(F)cc1F	159725519	MHNYCZODKZJVOI-KBPBESRZSA-N	284.350	2.906	70	20	CFID	
CCCNC(=O)c1ccc(NC(=O)NOCC(C)C)cc1	159396885	SVDJCCZWEFJITR-UHFFFAOYSA-N	293.367	2.536	70	20	CFID	
CC(C)(C)c1nsc(N2CC[C@H](CN3CCCC3)C2)n1	159588671	NLOGZUYUGYBDCE-GFCCVEGCSA-N	294.468	2.758	70	20	CFID	
CNCC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1	159780924	HSQZOOOXOMQNBE-XJKSGUPXSA-N	260.381	2.514	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)CCC1CC1	159406034	DEUOQCOFCCUWAX-UHFFFAOYSA-N	261.365	2.852	70	20	CFID	
Cc1cccc(C(=O)OC[C@H]2CCC(C)(C)O2)c1N	160780452	HWQIDLRJOIANRK-LLVKDONJSA-N	263.337	2.692	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CC2(CCC2)C1	460096756	XVAMJQXBVAOSKM-UHFFFAOYSA-N	297.351	2.864	70	20	CFID	
Cc1cccc(-c2ccc(S(=O)(=O)F)c(F)n2)c1	536952200	BIRAEQSHFKURJR-UHFFFAOYSA-N	269.272	2.854	70	20	CFID	
CSCc1ccc(NC(=O)N2CCC[C@](C)(O)C2)cc1	161049246	RYVFASMVVYDZDI-HNNXBMFYSA-N	294.420	2.928	70	20	CFID	
c1cc2c(cc1CCNC(C1CC1)C1CC1)OCO2	161119494	DHMLDFYDUVXHAE-UHFFFAOYSA-N	259.349	2.736	70	20	CFID	
COC[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	161149814	GIHYPISAXFJKKU-BZNIZROVSA-N	277.364	2.533	70	20	CFID	
Cc1occc1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1	160014573	KYVVEXXEZSUCHG-IUODEOHRSA-N	287.359	2.873	70	20	CFID	
COC[C@@H](Nc1nnc(C(F)(F)F)s1)C(C)C	160176588	CUABIBGIGTYAGF-ZCFIWIBFSA-N	269.292	2.640	70	20	CFID	
CCOC(=O)c1coc(N2CC[C@H](C(C)(C)C)C2)n1	160208628	XYFBCRROBHORBU-JTQLQIEISA-N	266.341	2.724	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1cccnc1	160243278	QIMAXGOEYOFOGT-UHFFFAOYSA-N	281.359	2.894	70	20	CFID	
COc1ccc(C(=O)Nc2ccc(F)c(OC)c2)c(O)c1	160407178	OQYXYVIKUZJRDS-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
CCC(=O)c1cccc(NC(=O)C(C)(C)COC)c1	160647256	UQTNJGAPLOKOMX-UHFFFAOYSA-N	263.337	2.890	70	20	CFID	
CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	160686851	IWFUJUDHYPZWRU-IXDOHACOSA-N	286.419	2.779	70	20	CFID	
CN(C)c1ccc(NC(=O)N[C@H]2CCOC(C)(C)C2)cc1	160692037	MUHMIZQVWOOLQK-ZDUSSCGKSA-N	291.395	2.832	70	20	CFID	
COC[C@H](NC(=O)Nc1cnc(Cl)c(C)c1)C1CC1	160897621	SEHSMHVFZSETBT-NSHDSACASA-N	283.759	2.590	70	20	CFID	
Cc1csc(NC(=O)N(C)CCc2nccs2)n1	159892390	OQGBTNJSOJTBPF-UHFFFAOYSA-N	282.394	2.614	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCc2ccccn2)n1	159916254	OTVAEYJALSFMJD-UHFFFAOYSA-N	287.367	2.646	70	20	CFID	
CCc1cccc(OCCN(C)C[C@H]2CCC[C@@H]2O)c1	159725138	XBIQCQFUHUWYGS-WBVHZDCISA-N	277.408	2.721	70	20	CFID	
CCCCOCC(=O)N[C@H](CC)c1c(C)noc1C	159980281	WDVAFEUTRMWXNP-GFCCVEGCSA-N	268.357	2.675	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N1CC[C@H](C)[C@H]1C	160701129	JJAPKYXHEVFSHK-WCBMZHEXSA-N	252.745	2.914	70	20	CFID	
Nc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1	161064979	GJGDGMNKRBDSEJ-LSDHHAIUSA-N	258.365	2.967	70	20	CFID	
C[C@@H](CCOC1CCC1)CCS(=O)(=O)Cl	115235248	LYNVJNMNHSUKLN-VIFPVBQESA-N	254.779	2.540	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	161018500	CQWFZMGHKMRFCM-JKSUJKDBSA-N	286.419	2.786	70	20	CFID	
CC(C)n1cccc1C(=O)NC[C@@H](c1ccco1)N(C)C	161052152	SFRAVEGXZFEISP-AWEZNQCLSA-N	289.379	2.695	70	20	CFID	
CC[C@@H](COC)NCc1cccc(C(=O)N[C@H](C)CC)c1	161135814	LIDAHZLXTGUPEB-CJNGLKHVSA-N	292.423	2.730	70	20	CFID	
Cc1ccc(CCNC(=O)NCCc2ccncc2C)cc1	161311443	PQTVJAORPXJCJK-UHFFFAOYSA-N	297.402	2.783	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(-c2csnn2)cc1	160256912	ZVUPGQQZZCZYDT-SNVBAGLBSA-N	291.376	2.959	70	20	CFID	
c1ccc2c(c1)CCCN2Cc1noc(C2CCOCC2)n1	160667289	KRVUTMMKVHVECP-UHFFFAOYSA-N	299.374	2.916	70	20	CFID	
C[C@@H](c1ccco1)N(C)C(=O)NCCc1cscn1	159409882	JOBDBEYUGYJKQS-JTQLQIEISA-N	279.365	2.681	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1	159539062	HCYIPGYHPZDHPN-YPMHNXCESA-N	291.395	2.965	70	20	CFID	
C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1	160850710	DCOJBECXWZAPEF-YDHLFZDLSA-N	278.421	2.787	70	20	CFID	
CC(C)C[C@H](N)C(=O)N1CCSC2(CCCCC2)C1	161449000	OFONGDOUVRTORY-ZDUSSCGKSA-N	284.469	2.638	70	20	CFID	
CC(C)C(=O)N1CCOc2cc(Br)ccc21	217246230	NHWFXLAADMHMPA-UHFFFAOYSA-N	284.153	2.831	70	20	CFID	
COc1ccccc1CCNC1CCN(C(C)C)CC1	218594686	CCULZINCJCBZMV-UHFFFAOYSA-N	276.424	2.700	70	20	CFID	
C[C@H](CNC(=O)NC1(C)CCC1)N(C)Cc1ccccc1	161118875	ZYNIUCWSKTUYCD-CQSZACIVSA-N	289.423	2.749	70	20	CFID	
CC(C)n1nccc1C(=O)Nc1ncc(Cl)s1	161248698	XTWQFAPPRIBPCQ-UHFFFAOYSA-N	270.745	2.826	70	20	CFID	
CCC(CC)c1cc(C(=O)N2CCN(C(C)C)CC2)on1	160050230	VEQUYYJFCKMCGS-UHFFFAOYSA-N	293.411	2.744	70	20	CFID	
Cc1csc(CCCCN[C@@H](C)c2cnn(C)c2)n1	160672504	AEFBRJFUBNDMIU-LBPRGKRZSA-N	278.425	2.859	70	20	CFID	
C[C@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)c2ccccc21	160760364	CFKWJASMCWHDKU-ZFWWWQNUSA-N	299.418	2.804	70	20	CFID	
C[C@H](NC[C@H](C)N1CCc2ccccc2C1)c1cnn(C)c1	159809008	DWCYNWDWOZWLKH-GJZGRUSLSA-N	298.434	2.518	70	20	CFID	
CC(C)n1nccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2	159847095	FANSIAQMNAAMMW-UHFFFAOYSA-N	298.346	2.601	70	20	CFID	
O=C(CCc1cccnc1)N[C@@H]1CCOC2(CCCC2)C1	159729147	GBEVFSGZRAQOAC-OAHLLOKOSA-N	288.391	2.622	70	20	CFID	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCC1(C2CC2)CC1	159361789	NRFQFBKBIVRSHB-ZFWWWQNUSA-N	294.439	2.927	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)[C@H]1CCCS1	159442970	PZZVXQJLRGGQGL-CQSZACIVSA-N	279.405	2.557	70	20	CFID	
CC(=O)C[C@H](C)NC(=O)c1csc2c1CC[C@@H](C)C2	159963958	DSKZICHQHRJZTH-ZJUUUORDSA-N	279.405	2.970	70	20	CFID	
CCCCNC(=O)N[C@@H]1CCc2c(OC)cccc21	160279351	JODLHJMOTOTTPG-CYBMUJFWSA-N	262.353	2.782	70	20	CFID	
Cc1cccc([C@H](C)NCC(=O)NC2CCCC2)c1	160246999	NZWAJBJYSMOLJX-ZDUSSCGKSA-N	260.381	2.704	70	20	CFID	
CCC(N)(CC)CNC(=O)CCOc1cccc(Cl)c1	160531283	BRCJSMWFRJTJGQ-UHFFFAOYSA-N	298.814	2.743	70	20	CFID	
Cc1cccc(CNC(=O)NCCc2ccc(O)cc2)c1	217314450	CJUIBCIEZVKYJY-UHFFFAOYSA-N	284.359	2.743	70	20	CFID	
C[C@@H](COCCc1cccs1)CS(=O)(=O)Cl	112159926	DULKHDIYBXBOGU-VIFPVBQESA-N	282.814	2.512	70	20	CFID	
CC[C@@H](C)CC(=O)Nc1cccc(S(=O)(=O)F)c1	460094239	RMKUVPRCLQBNRD-SECBINFHSA-N	273.329	2.720	70	20	CFID	
O=S(=O)(Cl)c1c[nH]c2c(Cl)cccc12	100722692	PARUUHDMCMSOJC-UHFFFAOYSA-N	250.106	2.749	70	20	CFID	
C[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)OCO2	161127719	CQHIRTHDGCOYKD-SNPRPXQTSA-N	290.407	2.939	70	20	CFID	
CC(=O)N(C)C1CCN(C(=O)C(C)(C)C2CCCC2)CC1	161217561	PVNZIEAVRSKSMJ-UHFFFAOYSA-N	294.439	2.672	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1Cc1occc1C	161271281	TWMQORINUMTKNQ-GFCCVEGCSA-N	251.326	2.506	70	20	CFID	
CC(C)Cn1nnnc1SCC(=O)CCC1CCCC1	160182040	WZDZRPBAHNKLDO-UHFFFAOYSA-N	296.440	2.961	70	20	CFID	
CC(C)n1nccc1NC(=O)N(C)CCc1nccs1	160199050	MVVJLWJCEZSSBB-UHFFFAOYSA-N	293.396	2.627	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)c1ccc2nncn2c1	160457976	JESQSLRGVOTXDY-LBPRGKRZSA-N	298.371	2.598	70	20	CFID	
COc1ccc(NC(=O)N(C)CC2(O)CCCC2)cc1F	160558559	YUNJRVWOGYNTGB-UHFFFAOYSA-N	296.342	2.603	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@@H](C)Cc1ccccc1F	160577934	KMCUVYZDVOFCMT-RYUDHWBXSA-N	267.344	2.688	70	20	CFID	
CC(C)CS(=O)(=O)N1CCC2(CCCC2)CC1	160593303	NRNKVZPRUDXEOW-UHFFFAOYSA-N	259.415	2.628	70	20	CFID	
C[C@@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CCN1C	160683982	RSKHMDHQCPNUOX-PVAVHDDUSA-N	276.424	2.573	70	20	CFID	
Cc1cccc([C@@H](C)C(=O)NCCc2cccnc2)c1	159403845	FSAVKDQPXUWHCW-CQSZACIVSA-N	268.360	2.852	70	20	CFID	
Cc1nnc(NC(=O)Nc2cscc2C)s1	159843799	HQSWVFNKVWOVOK-UHFFFAOYSA-N	254.340	2.860	70	20	CFID	
Cc1nc(NC(=O)c2cccc3c2OCO3)cc(C2CC2)n1	159879032	PJLGUCSOCWYROQ-UHFFFAOYSA-N	297.314	2.643	70	20	CFID	
COc1ccnc(C(=O)N(C)c2ccc(OC)c(F)c2)c1	159719771	NHYYELVVHIQJGK-UHFFFAOYSA-N	290.294	2.515	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnc2n[nH]c(C)c2c1	159520167	QHKXWVPKHJTDMF-GWCFXTLKSA-N	272.352	2.575	70	20	CFID	
NC(=O)[C@@H](NCCC1Cc2ccccc2C1)c1ccccc1	159734568	XLOQIEADZFQMPW-SFHVURJKSA-N	294.398	2.608	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)[C@@H]1C[C@@H]1C1CC1	159391869	HHYUABBEMPUVJU-HZPDHXFCSA-N	273.376	2.708	70	20	CFID	
CC(C)CNC(=O)[C@H](C)N[C@H](C)c1c(F)cccc1F	159726810	FDVRCHFKPCRMTN-MNOVXSKESA-N	284.350	2.776	70	20	CFID	
Cc1[nH]ncc1CCCNCc1cc(F)cc(F)c1	159901490	XCZUICGNTOWLOZ-UHFFFAOYSA-N	265.307	2.719	70	20	CFID	
O=C(NCCc1ccc(O)cc1)NCc1cccc(F)c1	217314701	TYMFBMGUDVJOAH-UHFFFAOYSA-N	288.322	2.573	70	20	CFID	
C[C@H]1C[C@H](NCCc2ncn(C)n2)c2ccsc2S1	217003351	IXDMWHYLHLLUHK-ONGXEEELSA-N	294.449	2.634	70	20	CFID	
CCc1ncnc(Oc2ccc(C(=O)OC)cc2)c1F	217953440	RENLEKKVDMLCIG-UHFFFAOYSA-N	276.267	2.757	70	20	CFID	
O=S(=O)(Cl)c1cccnc1OCc1ccccc1	128861614	VQMYEAZKGDPKKZ-UHFFFAOYSA-N	283.736	2.588	70	20	CFID	
CCc1noc([C@H](C)N(CC)Cc2ccccn2)n1	161058343	IGWPIBIGXBUSGR-NSHDSACASA-N	260.341	2.610	70	20	CFID	
C[C@@H](CC(=O)NCCOCc1ccccc1)c1ccncc1	161222855	DZNMPTYJZHJWJX-HNNXBMFYSA-N	298.386	2.908	70	20	CFID	
COc1cc(F)c(C(=O)N2CCCC[C@H]2C)cc1OC	161284906	ICSRABOHRAKDFK-SNVBAGLBSA-N	281.327	2.858	70	20	CFID	
CC1(C)C[C@@H](NC(=O)C[C@H]2CCCN2)c2ccccc2O1	160345460	ILQPSGOUJVWETC-TZMCWYRMSA-N	288.391	2.547	70	20	CFID	
CCC(C)(CC)C(=O)N1CC(=O)N(C)c2ccccc21	159408505	VMDRZGPSCGLKAU-UHFFFAOYSA-N	274.364	2.822	70	20	CFID	
CCc1ccc(NC(=O)NCCCNC(=O)C(C)C)cc1	159411241	VNOJLGVDOWXVHW-UHFFFAOYSA-N	291.395	2.533	70	20	CFID	
Cc1cccc([C@@H]2CCCN2CCCc2cnn(C)c2)n1	159819533	MUQKIQGEBIGENZ-KRWDZBQOSA-N	284.407	2.893	70	20	CFID	
CC(C)COC[C@@H](NCCC(C)(C)O)c1ccco1	159652902	SJJJDNPLNKCCNR-CYBMUJFWSA-N	269.385	2.744	70	20	CFID	
Cc1cccc([C@@H](C)C(=O)NCCN2CCC(C)CC2)c1	159878654	WVHBBYKJPHXVCA-MRXNPFEDSA-N	288.435	2.947	70	20	CFID	
C[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc(F)c1F	159413350	CZWXERAOLZREAJ-VHSXEESVSA-N	284.350	2.919	70	20	CFID	
Cc1cc(=O)c(C(=O)N[C@@H]2CCCc3sccc32)c[nH]1	160303180	LXILZGJCQULXSZ-GFCCVEGCSA-N	288.372	2.552	70	20	CFID	
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(C)c1Cl	160407581	IRMODYPAWRJWDX-LBPRGKRZSA-N	295.766	2.816	70	20	CFID	
Cc1csc(CCCN2C(=O)c3ccccc3C2=O)n1	160646458	QCNOUMHJMPVLNL-UHFFFAOYSA-N	286.356	2.680	70	20	CFID	
CCOc1ccc(CNC(=O)NCC(C)C)cc1	217300742	MCULEFJMICYNHI-UHFFFAOYSA-N	250.342	2.541	70	20	CFID	
COC[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C(C)C	161043493	YAUZIIIYKIHCEK-LRDDRELGSA-N	279.380	2.779	70	20	CFID	
O=C(NCCC1CCCCC1)NOCc1cccnc1	161086452	LPJSWHGJFRDZDZ-UHFFFAOYSA-N	277.368	2.783	70	20	CFID	
CC(C)c1ccc(C(=O)NCC(C)(C)CN(C)C)cn1	161086769	QMSIRCOLXOOUHV-UHFFFAOYSA-N	277.412	2.523	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N(C)c1ccccc1N(C)C	161124186	BKIOPTVWJJGSPT-GFCCVEGCSA-N	284.425	2.565	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccc(OC)c(F)c1)[C@H]1CCCO1	161129141	NUMOPMQBQMDBCW-TZMCWYRMSA-N	296.342	2.913	70	20	CFID	
CC(=O)NC1CCC(NCCSc2ccccc2)CC1	161230866	KQIGHXLFYNRIIF-UHFFFAOYSA-N	292.448	2.816	70	20	CFID	
CCOCCCC(=O)N1CCC[C@H]1c1ccc(COC)o1	161256135	KVZKLYWWPBOASM-AWEZNQCLSA-N	295.379	2.906	70	20	CFID	
CC(C)CC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161345821	CAFAXIBOCCJWGV-LBPRGKRZSA-N	284.400	2.548	70	20	CFID	
CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC2(C)C)c1	161382302	GXPGCDBFMKRHDZ-MFKMUULPSA-N	290.363	2.645	70	20	CFID	
Cc1ncsc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	160187722	IXFVCEDFOWXKSE-LLVKDONJSA-N	280.393	2.673	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	160216211	GWMMWEWXIQRCGU-YRXQGLPXSA-N	288.347	2.781	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)NC[C@]1(O)CCSC1	160217266	DFRVCJBOLUPGFB-IUODEOHRSA-N	285.453	2.577	70	20	CFID	
CSC[C@@H](CCO)N[C@H]1CCc2ccc(C)cc21	160327046	JUOHWARRDXAZJX-HIFRSBDPSA-N	265.422	2.686	70	20	CFID	
CC(C)COc1cncc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160333086	CETQLPKKVCUGMJ-KBPBESRZSA-N	291.395	2.881	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)o1	160398011	QWIBUIJQTPLKQC-ZXQDDJLASA-N	289.375	2.785	70	20	CFID	
O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCc2ccccc21	160783786	ASJPCXYZKQTWJB-BMFZPTHFSA-N	298.386	2.716	70	20	CFID	
CC[C@@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160845143	SJHYNHLCOSOGAP-LLVKDONJSA-N	289.379	2.906	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)N1CCn2c1nc1ccccc12	160888628	WQUYZRRBCSZGIS-BZNIZROVSA-N	269.348	2.819	70	20	CFID	
CN(Cc1cccc(F)c1)C(=O)NCCc1cscn1	159404276	LRCUDXYEYDOKDO-UHFFFAOYSA-N	293.367	2.666	70	20	CFID	
CCCOc1ccc(OC(=O)[C@@H]2CCCCO2)cc1	159704488	FGLUJTCNEMOHHA-AWEZNQCLSA-N	264.321	2.950	70	20	CFID	
Cc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)n1	159752957	LBEDFKKBJWUNAQ-UHFFFAOYSA-N	295.342	2.535	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)C[C@@H]1CCC[C@@H]1O	159562710	LTGYXKZHSMAOAI-WFASDCNBSA-N	283.799	2.812	70	20	CFID	
CC1(C)C[C@H](NC2CCN(CC(F)(F)F)CC2)CCO1	159973844	BKSGHXVQHXZJKY-GFCCVEGCSA-N	294.361	2.560	70	20	CFID	
NC(=O)c1cccc(CNCc2cc(F)cc(Cl)c2)c1	160834900	UPFWVLCUPKDDIG-UHFFFAOYSA-N	292.741	2.868	70	20	CFID	
CO[C@@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1	161171070	SMAVKPNNSHLNEP-BDAKNGLRSA-N	293.335	2.518	70	20	CFID	
O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)F)cc1	763175257	FBYLULOIAOYLDD-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CN(C)CC(C)(C)CNCc1cccc2cc[nH]c12	218059294	DWEQXUHEYDARIE-UHFFFAOYSA-N	259.397	2.845	70	20	CFID	
CC(=O)NC1CCC(Nc2cccc(F)c2)CC1	161080092	VZGBNCGHHWYPCS-UHFFFAOYSA-N	250.317	2.685	70	20	CFID	
CC(C)(C)CCN1CCN(CCCN2CCCCC2)CC1	161292058	BWGGQKICUBCXOK-UHFFFAOYSA-N	295.515	2.916	70	20	CFID	
COc1ccc2c(c1)[C@H](NC1CCN(C)CC1)CCCO2	161425768	MXAMYTHVVDNTJU-MRXNPFEDSA-N	290.407	2.593	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1scnc1C(C)(C)C	160059721	RVJLDMWAXYMGQP-VIFPVBQESA-N	298.408	2.512	70	20	CFID	
COC[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)C1CC1	160503146	LVKAEOWAWUCZME-NSHDSACASA-N	288.269	2.650	70	20	CFID	
CCc1nc(C(=O)Nc2cc(CC(C)(C)C)n[nH]2)co1	159407382	YAHCPYUGZNJMQG-UHFFFAOYSA-N	276.340	2.801	70	20	CFID	
CSc1cc(C(=O)NC[C@@H](C2CC2)N(C)C)ccc1F	159463294	UDMPWOUFGKKFIU-ZDUSSCGKSA-N	296.411	2.618	70	20	CFID	
C[C@H](C(=O)NCCc1cscn1)c1ccsc1	159478224	VWDGMSLDUDIIRI-VIFPVBQESA-N	266.391	2.667	70	20	CFID	
COC(=O)[C@H](C)CN(C)C(=O)CC[C@H](C)c1ccccc1	159957590	CUBRPACPOFXRHP-UONOGXRCSA-N	291.391	2.838	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(C2CCNCC2)n1	159964813	GNFLGKKFDLNZSS-CQSZACIVSA-N	287.363	2.663	70	20	CFID	
COc1ccc(N(C)C(=O)C2(C)CCC2)cc1F	159385273	HARKPSPFGPCPST-UHFFFAOYSA-N	251.301	2.987	70	20	CFID	
Cc1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c(C)c1	159778244	ZJIBQRVLCCRRGR-XJKSGUPXSA-N	273.376	2.925	70	20	CFID	
Cc1ccc(C)c([C@@H](C)N(C)C(=O)C[C@H]2CCCN2)c1	159970474	RTDKPMWLGXVSBI-HUUCEWRRSA-N	274.408	2.965	70	20	CFID	
CCCCOCC(=O)NCCc1cc2ccccc2[nH]1	159588092	PWTAQKULKSCSAD-UHFFFAOYSA-N	274.364	2.643	70	20	CFID	
Cc1n[nH]c(C)c1CN[C@@H](C)c1ccc([S@](C)=O)cc1	159589016	LZWMNITWLGYTJZ-WVDJIFEKSA-N	291.420	2.615	70	20	CFID	
CCc1cccc(C)c1NC(=O)N[C@H]1CC[C@H](O)CC1	159785907	VWGDCAZWOIPIAN-OKILXGFUSA-N	276.380	2.982	70	20	CFID	
CCOC(=O)Nc1ccc(N[C@H](CC)C(=O)OC)cc1	159506601	XDAIUTMRVJBKHR-GFCCVEGCSA-N	280.324	2.619	70	20	CFID	
CC(=O)Nc1ccccc1CNCc1ncc(C)s1	160491305	GMHBDJZOMPVVQN-UHFFFAOYSA-N	275.377	2.700	70	20	CFID	
CC[C@@H]1CCC[C@H](OCCS(=O)(=O)Cl)C1	112430547	VSBPTTQHAHAKFH-ZJUUUORDSA-N	254.779	2.540	70	20	CFID	
CC(C)NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	160409493	NPRHXWHAHMTMNB-GFCCVEGCSA-N	296.411	2.548	70	20	CFID	
C[C@H](c1cccnc1)N(C)CCCN1CCCCC1	161460620	ZFVHJMMUQGOIDB-OAHLLOKOSA-N	261.413	2.950	70	20	CFID	
CCO[C@@H]1C[C@@H](NC[C@@](C)(O)c2ccccc2)C1(C)C	217789084	YPIQCLPVJXFRBT-BFYDXBDKSA-N	277.408	2.687	70	20	CFID	
CCc1ncnc(NCCN(C(C)C)C(C)C)c1F	217955371	QPBUSTWGZIPBNY-UHFFFAOYSA-N	268.380	2.709	70	20	CFID	
CC(C)(C)c1cc(NC(=O)N2CCOC3(CCC3)C2)no1	161083310	WTWBZWCXWOLHRD-UHFFFAOYSA-N	293.367	2.759	70	20	CFID	
CCCCOc1ccc(C(=O)N2CCC(C)(O)CC2)cc1	161297291	ARCWMRVFMXZHKJ-UHFFFAOYSA-N	291.391	2.853	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc(N(C)C(C)=O)cc1	161478964	JLHLICUBIXPSKQ-SNVBAGLBSA-N	280.393	2.749	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccccc1SCC(N)=O	160134710	DCLREUNLAFYDBA-ZUZCIYMTSA-N	292.404	2.639	70	20	CFID	
NC[C@H]1CCCN1C(=O)CCCCCc1cccs1	160179416	HYLWNYVAJFRGFD-CYBMUJFWSA-N	280.437	2.801	70	20	CFID	
CC[C@H](NC(=O)c1ccc(C)nc1)c1c(C)noc1C	160236974	NEGBEEUBGIJJBL-ZDUSSCGKSA-N	273.336	2.876	70	20	CFID	
COc1cc(NC(=O)C[C@@H](C)[C@@H]2CCCNC2)ccc1F	160333029	DVEOVNWBKMQILH-VXGBXAGGSA-N	294.370	2.799	70	20	CFID	
CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccs1	160418758	LKCACRNRYNIRRT-VXGBXAGGSA-N	276.409	2.704	70	20	CFID	
C[C@H](NC[C@H](C1CCCCC1)N(C)C)C1CCOCC1	160425194	CYQPIGQAAMNVPD-WMLDXEAASA-N	282.472	2.902	70	20	CFID	
C[C@H](Cc1ccccc1Cl)C(=O)NCCCF	160456673	ILAZSRDCJZFBFZ-SNVBAGLBSA-N	257.736	2.994	70	20	CFID	
C[C@@H](OCC1CC1)C(=O)Nc1cccc(OCCF)c1	160476740	KJDUWTHKQLWTTK-LLVKDONJSA-N	281.327	2.789	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NC[C@@]1(C)CCCC[C@@H]1O	160759971	IKQKRPSJDIYYLB-SWLSCSKDSA-N	296.798	2.714	70	20	CFID	
CSCCCCC(=O)N[C@H]1COc2ccccc2C1	159855215	MYDZHKBENKVOMQ-CYBMUJFWSA-N	279.405	2.640	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)NCc2cnn(C)c2C)cc1	159955096	ROPPONWISWNUHF-GFCCVEGCSA-N	286.379	2.597	70	20	CFID	
Cc1cc(F)c(C(=O)Nc2cccc(C(N)=O)c2)cc1F	159772148	HXMBVEIDCJOVTN-UHFFFAOYSA-N	290.269	2.624	70	20	CFID	
CCSCC[C@H](C)NC(=O)[C@@H]1CNc2ccccc21	160219339	NOXRIQOPPACDNJ-WCQYABFASA-N	278.421	2.844	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@H]2C(C)(C)O)cc1	160920759	UXFWIJRTZOWTGH-INIZCTEOSA-N	275.392	2.803	70	20	CFID	
CN(C[C@@H]1CCCCO1)C[C@@H](O)c1cc2ccccc2o1	216951755	ARGXHXHMTIBFAX-LSDHHAIUSA-N	289.375	2.967	70	20	CFID	
O=S(=O)(Cl)C[C@@H](F)c1ccc(F)c(F)c1	1537958559	BZVDZHWQNNOHRD-MRVPVSSYSA-N	258.648	2.544	70	20	CFID	
CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCCO1	161070058	JEWLANQZRFEZEW-GFCCVEGCSA-N	290.388	2.824	70	20	CFID	
O=C(CCC1CCCC1)Cn1nc2c(cc1=O)CCCC2	160161222	QKMBGGSOKOZDLD-UHFFFAOYSA-N	288.391	2.662	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@H]1CCOC1	160351501	HMWUXOIIDRTXNY-QWRGUYRKSA-N	267.756	2.803	70	20	CFID	
CS[C@@H](C)CNC(=O)Nc1cc(NC(C)=O)ccc1C	160374305	LAFXBPXHZIBVQS-JTQLQIEISA-N	295.408	2.826	70	20	CFID	
CC[C@H](C(=O)N[C@H](C)c1cnn(C)c1)c1ccc(F)cc1	160409825	NRDMXBDARHIEGF-ABAIWWIYSA-N	289.354	2.930	70	20	CFID	
CCC[C@H](CC1CCCC1)C(=O)N1CC[C@@H](NC)C1	160584312	NWQSOVONLPQHMJ-HUUCEWRRSA-N	266.429	2.803	70	20	CFID	
C[C@H]1CCc2c(F)cccc2[C@H]1NCC(C)(C)O	160592641	SXPPBVZYOYCXSP-HZMBPMFUSA-N	251.345	2.810	70	20	CFID	
CCOC[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159817735	YPGWAMGEKZWIMQ-JTQLQIEISA-N	269.414	2.698	70	20	CFID	
CCOc1cccc(NC(=O)N(C)CC2CCOCC2)c1	159636326	CJQYCKHRARXNGY-UHFFFAOYSA-N	292.379	2.976	70	20	CFID	
Cc1nccc(NC(=O)N[C@H](CCO)C(C)(C)C)c1Cl	159503104	GLCIVMVVPRIAFO-LLVKDONJSA-N	299.802	2.962	70	20	CFID	
Cc1cc(C)n(CCCNC(=O)N2CC[C@@H](C)[C@H](C)C2)n1	159750839	SHXIWJXNDRKVCB-CHWSQXEVSA-N	292.427	2.578	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)c2ccnn2C(C)C)C12CCC2	159756105	RPMYDLQWIDSIQO-ZIAGYGMSSA-N	291.395	2.542	70	20	CFID	
CC1=C(C(=O)NCc2nc(C3CC3)cs2)CCCO1	159767716	MEWYINICSOAJHU-UHFFFAOYSA-N	278.377	2.721	70	20	CFID	
Cc1noc(C)c1CN1CCO[C@@]2(CCc3ccccc32)C1	159397865	KMHOGAGABGCWLT-SFHVURJKSA-N	298.386	2.965	70	20	CFID	
COc1cc(CN[C@H]2CCOC(C)(C)C2)cc(OC)c1	160567096	YTQAHUURPOICLB-ZDUSSCGKSA-N	279.380	2.751	70	20	CFID	
CSCC[C@@H](C)N(C)C(=O)c1ccc(C(N)=S)cc1	161308884	ZHVHOSJAGAJDGX-SNVBAGLBSA-N	296.461	2.534	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NC[C@H](C)CN1CCCC1	159375384	GUCCNQZHMVYGIE-NSHDSACASA-N	295.814	2.505	70	20	CFID	
CC(C)[C@H](CO)NCc1ccc(Cl)c2cccnc12	160335540	LEIOFJIKXNKIQW-AWEZNQCLSA-N	278.783	2.995	70	20	CFID	
O=C(NCCc1cccc(Cl)c1)N1CCCC1	217458829	YRPRMRKMPVASFX-UHFFFAOYSA-N	252.745	2.688	70	20	CFID	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C[C@@H]1CCCN1	217953523	LDPRGHNKUKMKTC-BARDWOONSA-N	266.429	2.706	70	20	CFID	
CC[C@@H](C(=O)N[C@H](COC)C1CC1)c1ccc(F)cc1	161328440	GJQSMQMAGOUWCV-HUUCEWRRSA-N	279.355	2.861	70	20	CFID	
COC(=O)c1sc(C)cc1OCc1nccs1	161346789	WHMJSRFLIRXXTD-UHFFFAOYSA-N	269.347	2.879	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CC[C@H]1CCOC1	160114225	JHNIZVWFMWHDDC-SWLSCSKDSA-N	289.375	2.615	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)c1ccnn1C	160201681	BCYBREGACFAMSN-NSHDSACASA-N	274.320	2.655	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(C)c1C)CC2	160350942	RYEFIMYGXVDAOT-HIFRSBDPSA-N	284.407	2.869	70	20	CFID	
c1ccc2nc(N[C@H]3CCO[C@@H](C4CC4)C3)cnc2c1	160414349	XBBBRKSDRVSFOJ-SWLSCSKDSA-N	269.348	2.999	70	20	CFID	
CC[C@@H](NC(=O)Nc1cccc(COC)c1)[C@@H]1CCCO1	160578150	BGWFLZBCZYODSH-CABCVRRESA-N	292.379	2.912	70	20	CFID	
CCC(CC)CNC(=O)N(CCO)CCc1ccccc1	160586348	KOVKBEIARWCGDE-UHFFFAOYSA-N	292.423	2.669	70	20	CFID	
Cc1cccc([C@@H](NC(=O)c2cn[nH]c2)c2ccccn2)c1	159850309	HIUVGGICQZBDEX-MRXNPFEDSA-N	292.342	2.633	70	20	CFID	
CCCn1c(C)nnc1CN1CCC[C@H]2CCC[C@@H]21	159674594	NUTGKINIZNNLCN-KGLIPLIRSA-N	262.401	2.761	70	20	CFID	
Cc1cccc([C@H]2CCCN2C(=O)C[C@H]2COC(=O)C2)c1	159369415	YTNVOMUDEPAXDA-UKRRQHHQSA-N	287.359	2.612	70	20	CFID	
Cc1cccc(C)c1OCC(=O)NCC1(C2CC2)CC1	159971822	KIWFVJHYGBRVIM-UHFFFAOYSA-N	273.376	2.989	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc(Cl)o1	160606662	JVXGKGTWQCBZHR-UHFFFAOYSA-N	252.701	2.544	70	20	CFID	
CC(C)(O)CNC1CCN(Cc2ccccc2Cl)CC1	160606768	ACPRZJMUYNCESG-UHFFFAOYSA-N	296.842	2.665	70	20	CFID	
C=CC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857673576	CYUAHCNUHSMXGW-UHFFFAOYSA-N	285.340	2.804	70	20	CFID	
C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)F)cc1	864242079	UUUYPFLITUQILB-CMPLNLGQSA-N	299.367	2.511	70	20	CFID	
Fc1ccc(CN[C@@H]2CCN3CCCC[C@@H]23)cc1F	217646493	XANZZVOGYYUKGA-CABCVRRESA-N	266.335	2.681	70	20	CFID	
O=C(NCC1(c2ccccc2)CCC1)[C@H]1CCCCO1	161241366	NVEYUSFTNBJOGD-OAHLLOKOSA-N	273.376	2.794	70	20	CFID	
CCN(CC)CCCNC(=O)c1cccc(C)c1F	161393097	WAZOQZZVVRTSJR-UHFFFAOYSA-N	266.360	2.596	70	20	CFID	
Cc1ccc(-c2cc(CN(C)[C@@H](CN)C3CC3)on2)cc1	160018127	NUEPYNTYAAREPY-KRWDZBQOSA-N	285.391	2.819	70	20	CFID	
CC[C@H](C)CS(=O)(=O)Oc1ccc(C(C)=O)c(F)c1	160520307	OFPXDXPMGKWNCW-VIFPVBQESA-N	288.340	2.783	70	20	CFID	
CC[C@H](C)N(C)C(=O)NC[C@@H]1CCCCN1CC(C)C	160968373	KZLMKNUICDEPDP-GJZGRUSLSA-N	283.460	2.937	70	20	CFID	
CCCCn1ncc(C(=O)Nc2nnc(CC)s2)c1C	159606982	QCLNKWPUGTWOFZ-UHFFFAOYSA-N	293.396	2.658	70	20	CFID	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C[C@@H]1CCCN1	159806423	KVQIXDHBVFJGFI-XPKDYRNWSA-N	290.382	2.672	70	20	CFID	
Cc1cc(F)c(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1F	159487706	KKUBULZZAGVJDR-UHFFFAOYSA-N	278.258	2.522	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccc(C)nc2)cc1F	159754082	OKVOTMGEEUJNLC-UHFFFAOYSA-N	274.295	2.814	70	20	CFID	
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H]1CCOC1	159378733	KJPABBKZNFSBJQ-QWRGUYRKSA-N	282.771	2.831	70	20	CFID	
CN1CCC[C@@H]2CN(c3nc(C(C)(C)C)ns3)CC[C@@H]21	159998707	BHDMMAAFNSVCRH-NEPJUHHUSA-N	294.468	2.756	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H](C)SC	159991651	VMXHNGRUWPEDBQ-JOYOIKCWSA-N	265.378	2.550	70	20	CFID	
CC(C)CCCNC(=O)c1cccc(S(=O)(=O)F)c1	1121032451	QIYBAHXQMNRHOU-UHFFFAOYSA-N	287.356	2.511	70	20	CFID	
CCC[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)F)c1	1336410818	POVDEGHRRXRBHP-JTQLQIEISA-N	287.356	2.605	70	20	CFID	
Cn1ccc(C(=O)COc2c(F)c(F)cc(F)c2F)c1	217353106	BFTHMQFAIGJGRX-UHFFFAOYSA-N	287.212	2.843	70	20	CFID	
Cc1cccc(OCCCC(=O)N[C@H]2CCC[C@H](N)C2)c1	161175127	SSJLMYJSRKAMFP-GJZGRUSLSA-N	290.407	2.540	70	20	CFID	
C[C@H](NCC1(c2ccc(F)cc2)CC1)c1cnn(C)c1	161361064	MYVJZVIYPJVROM-LBPRGKRZSA-N	273.355	2.942	70	20	CFID	
C[C@]1(C(=O)NCCc2cccc3ccccc23)CCCNC1	161375062	FPSCWUMCNWVBNM-IBGZPJMESA-N	296.414	2.888	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H]2CCOC(C)(C)C2)o1	161375973	QFHSIYMCCRGYMS-ABZNLYFFSA-N	277.364	2.929	70	20	CFID	
CNC(=O)c1cccc(NC(=O)c2ccc(C(C)C)nc2)c1	160010706	SQFSIVPLQHVHQK-UHFFFAOYSA-N	297.358	2.817	70	20	CFID	
Cc1cc2cc(C(=O)N3CCC[C@@H]3CN)oc2cc1C	160151267	ZFWPYKONVLDEHU-CYBMUJFWSA-N	272.348	2.613	70	20	CFID	
O=C(CCn1cccn1)N[C@H]1CCCc2sccc21	160209171	MAQBCLZESQDYCQ-LBPRGKRZSA-N	275.377	2.529	70	20	CFID	
CC[C@@H](NC(=O)c1ccc(C)nc1)c1c(C)noc1C	160237095	NEGBEEUBGIJJBL-CYBMUJFWSA-N	273.336	2.876	70	20	CFID	
C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCCO1	160323743	OHBOPWTVHAZMSN-RISCZKNCSA-N	265.328	2.914	70	20	CFID	
CC(C)CC[C@@H](C)NC(=O)NOCc1cccnc1	160987605	CHDHBSBEPIFERU-GFCCVEGCSA-N	265.357	2.637	70	20	CFID	
O=C(CCC1CC1)N[C@H]1CCOC2(CCCC2)C1	159641251	DCAHDWQFCTVKQC-ZDUSSCGKSA-N	251.370	2.785	70	20	CFID	
Cc1ccc(SCCn2cc(CCO)cn2)cc1C	159479416	LQOUOOFCPJBKMJ-UHFFFAOYSA-N	276.405	2.827	70	20	CFID	
CCCC[C@@H](COC)Nc1nc(C(C)C)nc(N(C)C)n1	159882972	QMOPVWXFYBIDSU-LBPRGKRZSA-N	295.431	2.678	70	20	CFID	
CCn1cc(C(=O)N(C)c2ccc(OC)c(Cl)c2)cn1	159912250	NFXLIGWHYDXYBV-UHFFFAOYSA-N	293.754	2.842	70	20	CFID	
Cc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2COC(=O)C2)c1	159369549	YTNVOMUDEPAXDA-ZFWWWQNUSA-N	287.359	2.612	70	20	CFID	
CCC(N)(CC)CNC(=O)CCCOCc1ccccc1	160409451	QOYVDDWIRIIHSL-UHFFFAOYSA-N	292.423	2.617	70	20	CFID	
CCCOc1cccc(C(=O)N[C@@H](CCO)C(C)C)c1	160764992	VHBZNLBRPBJPTL-HNNXBMFYSA-N	279.380	2.612	70	20	CFID	
Cc1c(C(=O)N2CCC(C)(O)CC2)oc2ccccc12	161271321	KYNJOBMIYKGFKQ-UHFFFAOYSA-N	273.332	2.728	70	20	CFID	
CCC(CC)CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1	160560278	UOGWCVLEFNVQAT-CYBMUJFWSA-N	278.400	2.735	70	20	CFID	
CCC(CC)CNC(=O)N(CCOC)CC(C)C	160602406	BVOQCUKZFYOSJS-UHFFFAOYSA-N	258.406	2.737	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)OC)o1	161298573	WUVYXMFDRCDGIW-AAEUAGOBSA-N	281.352	2.515	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N(C)C[C@H]2CCCCO2)on1	161432489	HVLAVAJYXNVRNJ-VXGBXAGGSA-N	280.368	2.829	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)Cc1cnn(C)c1	160185321	TYSABDSLCIZJLO-LBPRGKRZSA-N	288.347	2.584	70	20	CFID	
CCCCO[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160426622	WCOGKIQJYHTKLJ-SNVBAGLBSA-N	292.339	2.517	70	20	CFID	
COc1ccc(CN(CC(OC)OC)[C@H](C)C2CC2)cc1	160669204	TYFMAJJJTOVDIT-CYBMUJFWSA-N	293.407	2.915	70	20	CFID	
CN(Cc1cccn1C)C(=O)COc1ccc(Cl)cc1	160837384	XGODCNQXSAADIF-UHFFFAOYSA-N	292.766	2.716	70	20	CFID	
Cc1nccc(NC(=O)NC[C@H]2CCC[C@H](O)C2)c1Cl	159829860	GYNYTVOLYFQHSO-QWRGUYRKSA-N	297.786	2.716	70	20	CFID	
CCc1onc(C)c1C(=O)Nc1cc(C2CC2)nc(C)n1	159855942	WHEHEVSKCAIHIF-UHFFFAOYSA-N	286.335	2.774	70	20	CFID	
Cc1cc(C(=O)NCC2(C3CC3)CC2)c2c(C)nn(C)c2n1	159674021	XXMRAVIDSYZBFG-UHFFFAOYSA-N	298.390	2.505	70	20	CFID	
CCCCn1ncc(C(=O)NCC(C)(C)C[C@@H](C)O)c1C	159692445	MVMZWIXBWMKAKW-GFCCVEGCSA-N	295.427	2.519	70	20	CFID	
CC(C)CN(C(=O)CCCc1nc(C2CC2)no1)C1CC1	159507223	XBHNPXGPLSAQEY-UHFFFAOYSA-N	291.395	2.917	70	20	CFID	
CC[C@H](NC(=O)c1ccc(CN)o1)c1ccc(F)cc1F	159728478	YGURKBPRWXAGNI-ZDUSSCGKSA-N	294.301	2.898	70	20	CFID	
CSCCCCC(=O)N[C@@H](C)CN1CCCCC1	159755748	BKMVGXFXTDCXCW-ZDUSSCGKSA-N	272.458	2.510	70	20	CFID	
C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@@H]1C	159778643	UHDPHFMQNPAVRL-IHRRRGAJSA-N	293.411	2.570	70	20	CFID	
COc1ccc(C(=O)NC2CC=CC2)c(Br)c1	160814625	ZUYNKNCHPYFWLE-UHFFFAOYSA-N	296.164	2.906	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CCCNC1	161055223	LRDURIHEFAGJLE-BBWFWOEESA-N	286.419	2.514	70	20	CFID	
CCC(CC)(CN)C(=O)N[C@@H](C)COc1cccc(C)c1	161189630	RGTMJYNPRWNGFO-AWEZNQCLSA-N	292.423	2.644	70	20	CFID	
CC(C)[C@H](O)CC(=O)NC[C@@H](C)c1ccc(F)cc1F	161408971	YSMGSIJRLJFSKC-QMTHXVAHSA-N	285.334	2.592	70	20	CFID	
CC[C@@H]1CCCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C1	160190000	IUOUDWMFLHJQPR-GFCCVEGCSA-N	284.363	2.734	70	20	CFID	
C[C@@H](CCO)NC(=O)N[C@@H](C)c1ccc(F)cc1Cl	160379684	RXRDVPIOVAHQAU-IUCAKERBSA-N	288.750	2.610	70	20	CFID	
CCOC(=O)C1(C(=O)N(C)c2ccc(F)c(F)c2)CCC1	160745413	IHBQDPMBVWQPKK-UHFFFAOYSA-N	297.301	2.661	70	20	CFID	
CCC(CC)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159833126	ATQQIJATIDMCLD-UHFFFAOYSA-N	291.395	2.760	70	20	CFID	
COCCn1cc(NC(=O)C2CCC(C)(C)CC2)cn1	159442435	BPTVCFHZVPAPII-UHFFFAOYSA-N	279.384	2.684	70	20	CFID	
CCCCOC(=O)CN1CCC[C@@H]1c1cccc(C)n1	159860949	UAAHAXYCWNDXBB-OAHLLOKOSA-N	276.380	2.870	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)C2=COCCO2)C1	159513503	LXVZRMXPVYZUAL-LLVKDONJSA-N	291.372	2.650	70	20	CFID	
CC(C)CCn1ccc(N[C@@H](C)C(=O)NC(C)(C)C)n1	159917449	OATOSTGMSMMQMK-LBPRGKRZSA-N	280.416	2.644	70	20	CFID	
Cc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1O	159920672	DTASHJCEXKGFOU-ZDUSSCGKSA-N	289.375	2.922	70	20	CFID	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1N	159799393	BLMRXYJIVDZQKJ-JMGFVUJMSA-N	290.382	2.658	70	20	CFID	
CC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160928413	YPAJHDWTYKZUIT-LSDHHAIUSA-N	278.371	2.876	70	20	CFID	
CC(C)C[C@@H](O)CNCc1cccc2c1OC(C)(C)C2	217796923	YUBDBPNCTNJTIV-OAHLLOKOSA-N	277.408	2.897	70	20	CFID	
COc1cc(-c2noc([C@@H]3CCC(=O)C[C@@H]3C)n2)ccn1	161013431	IPCDARLLXFRHFY-JOYOIKCWSA-N	287.319	2.613	70	20	CFID	
COc1ccc(OCCCNC(=O)C[C@@H](C)SC)cc1	161024064	LEEPARNUMZVROB-GFCCVEGCSA-N	297.420	2.722	70	20	CFID	
C[C@H](C(=O)NCc1ccccn1)c1c(F)cccc1F	161336252	PHZXKGLBRBSCKS-JTQLQIEISA-N	276.286	2.780	70	20	CFID	
Cc1ccc2cccc(C(=O)N[C@@H]3CCC[C@H](N)C3)c2n1	161408894	XSDRWSABHOGIKE-UONOGXRCSA-N	283.375	2.543	70	20	CFID	
Cc1cccc(C(=O)N(C)C[C@@H]2CCCCO2)c1F	161486680	AICWTUKTWZHKSJ-LBPRGKRZSA-N	265.328	2.775	70	20	CFID	
CCCNC(=O)CCNC(=O)C[C@H]1CCCCC1(C)C	160244364	QYVCBSNNMUXEOF-CYBMUJFWSA-N	282.428	2.625	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1	159611058	PFVPNUFTEFNBRW-KGLIPLIRSA-N	269.433	2.595	70	20	CFID	
Cc1cnccc1NC(=O)c1cc2c([nH]c1=O)CCCCC2	159387939	OCMISMVJWXGWIB-UHFFFAOYSA-N	297.358	2.600	70	20	CFID	
C[C@H]1CO[C@H](C)CN1C[C@@H](O)c1cc2ccccc2o1	216918463	DALQTOVKWBGTAV-OUCADQQQSA-N	275.348	2.575	70	20	CFID	
CO[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)nn2)C1(C)C	218062066	ZTMNRRRIJLYCRJ-DTWKUNHWSA-N	275.274	2.721	70	20	CFID	
CCNCC1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1	161095644	RILQLLWBFDEBCY-ZFWWWQNUSA-N	266.429	2.661	70	20	CFID	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1CCNCC1	161244799	XAEZPPXQMHQEBI-SWLSCSKDSA-N	290.382	2.530	70	20	CFID	
CCCn1nccc1CNc1ccc2c(c1)CCC(=O)N2	160070768	HACDODFWMHUICT-UHFFFAOYSA-N	284.363	2.790	70	20	CFID	
CCc1ccccc1NC(=O)N[C@H]1CC[C@H](O)CC1	160107101	HXBQMGYDUCRRHE-BETUJISGSA-N	262.353	2.674	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1	160284372	FGVRXLZBPAVLIV-SNVBAGLBSA-N	283.755	2.720	70	20	CFID	
CCC(CC)n1nccc1C(=O)Nc1cccnc1	160527667	BGXFRRLRAZAOOV-UHFFFAOYSA-N	258.325	2.892	70	20	CFID	
C[C@@H](CO)SCCOc1cccc(Br)c1	160733980	YKKKWFHDWRBKTO-VIFPVBQESA-N	291.210	2.942	70	20	CFID	
CCn1c(SCc2nnc(C)n2C)nc2ccccc21	160922720	STNFUFPDJLTOFK-UHFFFAOYSA-N	287.392	2.785	70	20	CFID	
C[C@H](CCC1CCCCC1)NC(=O)[C@@H]1CCCNC1	160915697	XFQIDMDIIQYVQH-UKRRQHHQSA-N	266.429	2.851	70	20	CFID	
C[C@H](CC(=O)N1CCCCCC1)N[C@H]1CCCSC1	159614378	DRYCDWIPDWZRMZ-KGLIPLIRSA-N	284.469	2.653	70	20	CFID	
C[C@]1(c2ccccc2)CCCN(CCn2ccnc2)C1	159826991	ZCPIFZVDKIOGML-KRWDZBQOSA-N	269.392	2.937	70	20	CFID	
C[C@H]1C[C@H](NC[C@@H](C)N2CCc3ccccc32)CCN1C	159904205	BWALXUPBBQXJRV-ZMSDIMECSA-N	287.451	2.510	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(CC2(N)CCC2)n1	159940207	XXADKOCVUZVAIE-CQSZACIVSA-N	287.363	2.619	70	20	CFID	
CCOC(=O)c1ccc(NC(=O)NC[C@H](C)SC)cc1	159985925	MRBDPSYDGKYWJY-JTQLQIEISA-N	296.392	2.736	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3	160189122	UABXOGICWDOVOL-BAPHQMLMSA-N	279.424	2.582	70	20	CFID	
C[C@@H]1CCC[C@H](OCCCCS(=O)(=O)Cl)C1	114257968	LOODIZJLOLDXJT-MNOVXSKESA-N	268.806	2.931	70	20	CFID	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccnc(Cl)c2F)C1	160735794	OTJOFHFAYNAFDX-DTORHVGOSA-N	270.735	2.992	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cc(C)ccc1OC	217398333	FZUCADXDUSBFRY-CQSZACIVSA-N	264.413	2.824	70	20	CFID	
CCN(CCNCC(C)(C)C)C(=O)OC(C)(C)C	218183568	UYOXKVGBVPAOQO-UHFFFAOYSA-N	258.406	2.879	70	20	CFID	
CC[C@H](COC)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	161147584	CLLXMAYJFLTSFR-PBHICJAKSA-N	291.391	2.924	70	20	CFID	
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CCCCCO	161209459	BACQKYGKXSVBJE-LLVKDONJSA-N	290.812	2.978	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)/C=C/c1cc2ccccc2o1	161296693	NSGLHTJPGCKULN-VFNNOXKTSA-N	284.359	2.656	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	161507148	MVCKDLCULBISOM-CWRNSKLLSA-N	281.359	2.532	70	20	CFID	
Cc1ccccc1OCCCSCCN1CCOCC1	160030592	BFKFPMYLBNNVCS-UHFFFAOYSA-N	295.448	2.829	70	20	CFID	
O=C(N[C@@H](c1ccccc1)c1ccncc1)[C@H]1CCCCO1	160115949	VVCWWVXTPQCHOL-SJORKVTESA-N	296.370	2.856	70	20	CFID	
CCOc1ccccc1[C@H](C)N[C@@H](CCO)CSC	160366717	FFVQXURSKBJFTF-STQMWFEESA-N	283.437	2.850	70	20	CFID	
CCOc1cccc([C@@H](C)NCc2n[nH]c(CC)n2)c1	160378899	MCXSFAWRHAZYLD-LLVKDONJSA-N	274.368	2.617	70	20	CFID	
COCC(C)(C)C(=O)NCCCO[C@H](C)c1ccccc1	160409413	XRIHUYABANSUAZ-CQSZACIVSA-N	293.407	2.943	70	20	CFID	
Cc1ccc(-c2nnco2)cc1NC(=O)NC1CC=CC1	160523325	DOKMYOOPZHWAFY-UHFFFAOYSA-N	284.319	2.885	70	20	CFID	
CC(C)c1ccccc1NC(=O)C[C@@H](C)NCC(C)(C)O	160604960	JTWIHAFMRPYBLY-CYBMUJFWSA-N	292.423	2.888	70	20	CFID	
CC[C@@H](NC(=O)CC1(N)CCC1)c1cc(F)ccc1F	160659764	GWIPRJXWWNJMNI-CYBMUJFWSA-N	282.334	2.804	70	20	CFID	
CCC(=O)c1cccc(NC(=O)c2cccc(C(N)=O)c2)c1	160733304	URUYQFZIVVRPEB-UHFFFAOYSA-N	296.326	2.631	70	20	CFID	
CCCNC(=O)CCC(=O)Nc1cccc(C(=O)CC)c1	160774389	OLUXPKQYAZYNHV-UHFFFAOYSA-N	290.363	2.524	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N[C@H]1CCCc2occc21	159641124	HFNZZQQHSOJBSH-NSHDSACASA-N	294.738	2.966	70	20	CFID	
CCN1CCCC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1	159662125	FTSVGOULPQHTLW-KRWDZBQOSA-N	299.418	2.701	70	20	CFID	
Cc1ncc(/C=C/C(=O)NCC2(C3CC3)CC2)s1	159875346	DQPDFIOZGCTGNO-SNAWJCMRSA-N	262.378	2.771	70	20	CFID	
Cc1nc(COC(=O)c2cccc(C)c2Cl)no1	159908741	AQHKHZKDOYUQFU-UHFFFAOYSA-N	266.684	2.697	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2ccccc2F)[nH]n1	159959343	XMUQMMIUGFHWFF-UHFFFAOYSA-N	297.355	2.692	70	20	CFID	
CNC[C@H](C)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C	159967913	DHKQWNVVHVGODF-KBPBESRZSA-N	262.397	2.678	70	20	CFID	
COc1ccc2c(c1)C[C@H](N[C@H](C)[C@H]1CCOC1)CC2	159564076	XUSMWTUEUQXMME-IVMMDQJWSA-N	275.392	2.567	70	20	CFID	
CCn1nccc1CNCc1ccc(OC(C)C)cc1	159963226	VQINGSOAZNCSCQ-UHFFFAOYSA-N	273.380	2.980	70	20	CFID	
Cc1cc(NC[C@@H]2CCN(CC(F)(F)F)C2)ccn1	160917845	AJDWGQLSSBNENZ-NSHDSACASA-N	273.302	2.686	70	20	CFID	
CCCn1c(CNC[C@@H]2CCCN2C)nc2ccccc21	218235296	PWSPERSCDBWUKM-AWEZNQCLSA-N	286.423	2.630	70	20	CFID	
CCC(C)(C)NC(=O)[C@H](C)N(C)OCc1ccccc1	159594792	NFMNVZZFGMBQQD-ZDUSSCGKSA-N	278.396	2.743	70	20	CFID	
COCC(C)(C)NC(=O)c1ccc(F)c(Cl)c1	159895604	MZAQPEUFQKENSE-UHFFFAOYSA-N	259.708	2.634	70	20	CFID	
C[C@H](CCN(C)C)Nc1ccncc1Br	159833306	UXWKALOSGQTZFE-SECBINFHSA-N	272.190	2.596	70	20	CFID	
C[C@@H](Nc1ncnc2c1CCCC2)C1CCOCC1	217815054	PHOIIHVHLAICIB-LLVKDONJSA-N	261.369	2.582	70	20	CFID	
CCn1cnnc1CNCc1cccc2ccccc12	218230288	OXLXJHYAIWPCKM-UHFFFAOYSA-N	266.348	2.741	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)SC)o1	161327098	RLLICCMCYYSNSR-PWSUYJOCSA-N	283.393	2.841	70	20	CFID	
CC(C)c1ccc(C(=O)NCCc2cccnc2)cn1	161473375	CLZCQWHEKSVNDT-UHFFFAOYSA-N	269.348	2.573	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2C)cc1Cl	160044701	LDWIEKQHBHZELJ-WCBMZHEXSA-N	253.729	2.967	70	20	CFID	
Cc1cc(C)n(-c2ccccc2CNC(=O)C(C)(C)F)n1	160080807	MFVSSEBXJWWEDR-UHFFFAOYSA-N	289.354	2.853	70	20	CFID	
CC(C)C[C@@H]1CCCN1C(=O)NCCCC(=O)OC(C)C	160124010	KFWMXYWXNSHHKC-AWEZNQCLSA-N	298.427	2.938	70	20	CFID	
Cc1noc(C)c1CCSCCOCC1CC1	160146159	WOJJZENSFGXFKG-UHFFFAOYSA-N	255.383	2.994	70	20	CFID	
CCCCNC(=O)N1CCO[C@@](C)(c2ccccc2)C1	160194022	CLURVIMJNOXWND-MRXNPFEDSA-N	276.380	2.744	70	20	CFID	
CCC1CCC(CNC(=O)[C@@H]2CCn3ccnc3C2)CC1	160239460	VPMDBYHQZGNTOE-YMAMQOFZSA-N	289.423	2.778	70	20	CFID	
CC(C)[C@@H](C(=O)N[C@@H]1CCCc2sccc21)N(C)C	160264908	LEVGHOCHFRXUQY-OCCSQVGLSA-N	280.437	2.828	70	20	CFID	
CC[C@@H](NC(=O)c1ccncc1)c1c(C)noc1C	160322964	PHYZTWXEUTUYJU-GFCCVEGCSA-N	259.309	2.568	70	20	CFID	
CCCCNC(=O)NC[C@@H](C)COc1ccccc1OC	160571359	NJRGHGOKYQFXNY-CYBMUJFWSA-N	294.395	2.809	70	20	CFID	
CCCCN(C)C(=O)Nc1ccn(CC(F)(F)F)n1	160590609	MAMNFVMTFJAULH-UHFFFAOYSA-N	278.278	2.709	70	20	CFID	
CS[C@@H](C)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160596328	LNYOMFKMURNMLU-RYUDHWBXSA-N	271.426	2.736	70	20	CFID	
Cc1cccc(C)c1CCN[C@@H](C(N)=O)c1ccccc1	160615656	BTQVEWLUHUKDOO-QGZVFWFLSA-N	282.387	2.662	70	20	CFID	
Cc1ncccc1C(=O)NCCCSCC(C)C	160709467	UCAIQSLYZLVYPK-UHFFFAOYSA-N	266.410	2.899	70	20	CFID	
COc1cc(C(=O)Nc2cccc(F)c2)cc(OC)c1O	160711146	QGLCRFCEOGQIAU-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
C[C@H]1C[C@H]1c1ccc(CN(Cc2nncn2C)C2CC2)o1	160782485	RFWFDOZXFCMVDQ-SMDDNHRTSA-N	286.379	2.696	70	20	CFID	
C[C@@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl	160986347	NBARJVOQTJUJBK-RNFRBKRXSA-N	261.152	2.518	70	20	CFID	
CS[C@H](C)CC(=O)NCCCCN1CCC(C)CC1	159406264	WSZZOFFYMGLBJU-CQSZACIVSA-N	286.485	2.756	70	20	CFID	
Cc1nnc([C@H](C)Nc2ccn(CCC(C)C)n2)o1	159870674	VAACKJHGDOHLHG-JTQLQIEISA-N	263.345	2.794	70	20	CFID	
CCC(CC)n1ncc(C(=O)N2CCSCC2)c1C	159952828	FFTQWOCLNYJUDU-UHFFFAOYSA-N	281.425	2.742	70	20	CFID	
Cc1cc(NC(=O)C2CCC(C)(C)CC2)c[nH]c1=O	159391249	PGCSVVOTUYMZDV-UHFFFAOYSA-N	262.353	2.838	70	20	CFID	
C[C@H](COC1CCCCC1)CS(=O)(=O)Cl	112159496	QSNSIKCCNDBFPP-SECBINFHSA-N	254.779	2.540	70	20	CFID	
O=S(=O)(Cl)Cc1sccc1Br	105859791	XDHXXYUBTUXPGW-UHFFFAOYSA-N	275.576	2.579	70	20	CFID	
COc1cccc(NC(=O)NCc2ccc(CO)cc2)c1	217273318	IATYIKDFDXARJE-UHFFFAOYSA-N	286.331	2.509	70	20	CFID	
CC(C)CC(=O)NC[C@@H]1CCCN1c1ccccc1	217837937	KFCHILKOTICZTD-HNNXBMFYSA-N	260.381	2.818	70	20	CFID	
O=S(=O)(Cl)c1c(O)ccc(Cl)c1Cl	238855473	RZGNMUAIDBNONN-UHFFFAOYSA-N	261.513	2.627	70	20	CFID	
O=C(C[C@H]1CCCN1)Nc1ccc(F)cc1OC(F)F	161085250	RPRRDJYYGJLSJC-SECBINFHSA-N	288.269	2.508	70	20	CFID	
O=C(NC1(c2ccc(F)cc2F)CCCC1)c1cn[nH]c1	161101223	WCCVRESRODBLQM-UHFFFAOYSA-N	291.301	2.887	70	20	CFID	
Cc1c(NC(=O)NOCC(C)C)cnn1-c1ccccc1	161214057	WMVHKIZQRWGEAA-UHFFFAOYSA-N	288.351	2.890	70	20	CFID	
CCOc1cc(Cl)ccc1NC(=O)C[C@H]1CCCN1	161503500	WOGXARZSNWUASA-LLVKDONJSA-N	282.771	2.819	70	20	CFID	
CCCC1(CNC(=O)c2ncn(-c3ccccc3)n2)CC1	160011358	TYVXAYARADPHGC-UHFFFAOYSA-N	284.363	2.577	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@H](C)C(C)(C)CN(C)C	160029259	AEKNRRYBFNCJHJ-QWHCGFSZSA-N	271.449	2.697	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(F)cc(F)c1	160076842	ZKVMQZKABTXECB-UHFFFAOYSA-N	251.276	2.885	70	20	CFID	
CCNC(=O)N(C)Cc1cccc(OC(F)(F)F)c1	160292867	ZYQUPYUMBARGMY-UHFFFAOYSA-N	276.258	2.747	70	20	CFID	
CCc1nnc(NC(=O)CCc2ccc(F)cc2F)s1	160343771	VZHGAAQMGLJSDT-UHFFFAOYSA-N	297.330	2.950	70	20	CFID	
Cc1ccc([C@@H]2[C@@H](C)CCCN2S(=O)(=O)N(C)C)cc1	160344218	XNWRTHXIWRIKIT-ZFWWWQNUSA-N	296.436	2.574	70	20	CFID	
C1C[C@H](Nc2nnc(C3CC3)s2)C[C@@H](C2CC2)O1	160352722	HVUCOCLQIGISJA-QWRGUYRKSA-N	265.382	2.785	70	20	CFID	
Cc1noc(C)c1CCNC(=O)C[C@H](C)c1ccncc1	160479326	PDCYAUKJVIULHU-NSHDSACASA-N	287.363	2.539	70	20	CFID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	160561460	YTINNCFAHGOJLD-QWHCGFSZSA-N	293.407	2.591	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](CC)C(C)C	160650480	ISYQFYCHSSGJGX-NWDGAFQWSA-N	257.374	2.517	70	20	CFID	
Cc1nc2ccccn2c1CN1C[C@H](C)S[C@@H](C)C1	160815384	NNZBKZKAGJBPPE-RYUDHWBXSA-N	275.421	2.969	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)N2CCN(c3nccs3)CC2)C1	159401123	NTNJENMABWAKFD-QWHCGFSZSA-N	293.436	2.618	70	20	CFID	
CCOc1cccc(NC(=O)c2cccc3[nH]c(=O)oc23)c1	159684465	FWLDUVPYTKWXOE-UHFFFAOYSA-N	298.298	2.772	70	20	CFID	
CNC[C@H](C)C(=O)N(C)[C@H](C)c1cc(C)ccc1C	159967766	DHKQWNVVHVGODF-UONOGXRCSA-N	262.397	2.678	70	20	CFID	
CCc1nc(Cl)c(C)c(N2CCN(CC(C)C)CC2)n1	159681818	GJFDVSAEYHJVEE-UHFFFAOYSA-N	296.846	2.779	70	20	CFID	
O=C(NCC1(CO)CCCC1)[C@@H]1CCCc2sccc21	160313614	KGGBTFLYCYHYTN-CYBMUJFWSA-N	293.432	2.837	70	20	CFID	
O=C(/C=C/c1ccco1)N[C@H]1CCOC2(CCCC2)C1	161321501	RIRIQNSEULZICA-GFUIURDCSA-N	275.348	2.901	70	20	CFID	
CC(C)C[C@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1	160135105	FQKUPUCZFFOBSX-LBPRGKRZSA-N	287.367	2.823	70	20	CFID	
O=C([C@H]1CCCCO1)N(Cc1ccccc1F)C1CC1	160183905	NIKFEHKVAVOCDX-OAHLLOKOSA-N	277.339	2.886	70	20	CFID	
COC(=O)c1ccc(NC[C@H](CCO)CC(C)C)nc1C	160226486	NRYOJUVWTAOUDA-CYBMUJFWSA-N	294.395	2.633	70	20	CFID	
COc1cc(C)cc(CNC(=O)N[C@@H]2C=CCCC2)c1	160267985	YWISRBOHGFMVTF-CQSZACIVSA-N	274.364	2.912	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)NCc1ccco1	160279897	NNVYQTBEFOCNLD-AWEZNQCLSA-N	286.331	2.775	70	20	CFID	
COc1ccc(O)c(NC(=O)C[C@@H](C)c2ccncc2)c1	160706484	RTTXNYPQPBLSCX-LLVKDONJSA-N	286.331	2.928	70	20	CFID	
CCN(C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	160853514	FMJFIEFLPHJQAK-ZIAGYGMSSA-N	262.353	2.568	70	20	CFID	
COc1cc(CNCc2cccc3c2NCCC3)ccn1	159412556	OQIGLJUQWTUDSN-UHFFFAOYSA-N	283.375	2.738	70	20	CFID	
C[C@H](NC[C@H](C)N1CCc2ccccc21)c1cnn(C)c1	159920721	OZFNHOQQWRUWDT-KBPBESRZSA-N	284.407	2.522	70	20	CFID	
CCOCCC1(CNC(=O)c2oc(C)nc2C)CCC1	161031416	FEWVLZPPGZBIFL-UHFFFAOYSA-N	280.368	2.618	70	20	CFID	
COC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](N(C)C)C1	161077173	NTKFXLKPODLINV-FGTMMUONSA-N	290.451	2.707	70	20	CFID	
Cc1ccc(CCCC(=O)N[C@H](CO)CC(C)C)s1	161111786	TXRXWVSYJCQELN-ZDUSSCGKSA-N	283.437	2.902	70	20	CFID	
C[C@H](c1ccccc1F)S(=O)(=O)Cc1nccs1	161179010	JLYBSLHFMGPVNP-SECBINFHSA-N	285.365	2.958	70	20	CFID	
O=C(C1C2CC3CC(C2)CC1C3)N1CCOC[C@@H]1C1CC1	161253795	HJGMCOXNBQITFJ-KELMGXQASA-N	289.419	2.696	70	20	CFID	
Cc1cc(C)c2ncc(C(=O)Nc3ccn(C)n3)c(O)c2c1	161380397	NYUAOQBGLKZBBQ-UHFFFAOYSA-N	296.330	2.543	70	20	CFID	
C[C@H]1CCCCN1C(=O)COc1ccc2[nH]ccc2c1	160029148	PYKLQFCTYWJVCH-LBPRGKRZSA-N	272.348	2.948	70	20	CFID	
CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccn(C)c1	160294160	SNBLGBLSOXKCMX-HNNXBMFYSA-N	289.423	2.959	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(F)cc1Cl	160330192	OTSIXTFZZZANJZ-QMMMGPOBSA-N	287.718	2.551	70	20	CFID	
CC[C@H](NCCOCCOC)c1ccc(F)cc1F	160824529	IKDQAVMILVPJIK-AWEZNQCLSA-N	273.323	2.669	70	20	CFID	
O=C(CCc1nnc(C2CCCC2)o1)Nc1ccncc1	159602723	BOOIEWUWFTYJQT-UHFFFAOYSA-N	286.335	2.694	70	20	CFID	
CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccon1	159659692	GDMNYBYNNGGNQF-OAHLLOKOSA-N	288.347	2.801	70	20	CFID	
C/C=C/COc1ccc(CC[C@@H](C)NCCO)cc1	159694299	QRDPLJGUDLVHAI-RDFMZFSFSA-N	263.381	2.545	70	20	CFID	
COc1cc(C)nc(N[C@@H]2CCCc3cc(N)ccc32)n1	159503616	NJKQLGYIUKRSAV-CQSZACIVSA-N	284.363	2.865	70	20	CFID	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1N	159799527	BLMRXYJIVDZQKJ-YUDUHTQSSA-N	290.382	2.658	70	20	CFID	
OC1(CNCCc2cccc3cccnc23)CCCC1	159372899	USULOHZMVXSGKX-UHFFFAOYSA-N	270.376	2.672	70	20	CFID	
c1cncc(CCNCc2cccc3c2NCCC3)c1	159375835	YZJSOPJKBMWBEZ-UHFFFAOYSA-N	267.376	2.772	70	20	CFID	
CCOc1cccc(CNCCC(OCC)OCC)c1	159534919	FYBBEKSMCUYXCB-UHFFFAOYSA-N	281.396	2.964	70	20	CFID	
CC(C)(C)c1nsc(NCc2ncccc2F)n1	160066900	CDDLQLZIAFBYMD-UHFFFAOYSA-N	266.345	2.982	70	20	CFID	
C[C@]1(NCc2cc(Cl)c3c(c2)OCCCO3)CCOC1	160181845	KCBYTBVQUNEKDC-HNNXBMFYSA-N	297.782	2.770	70	20	CFID	
CN(CCCOc1ccc(Cl)cc1)[C@@H](CN)C1CC1	160141880	AVSSDYUXNQYFML-HNNXBMFYSA-N	282.815	2.778	70	20	CFID	
COC(=O)CCCN(CC1CCCCC1)C1CC1	217223656	KZZBUHIGJTXJHO-UHFFFAOYSA-N	253.386	2.984	70	20	CFID	
Cc1cc(Cl)cc(C(=O)NC[C@@H]2CCC[C@H](O)C2)c1	217831178	YKIHIVJIJYRZEU-RISCZKNCSA-N	281.783	2.929	70	20	CFID	
CC(=O)c1c(O)cc(F)c(Br)c1F	217671011	YMZDBMLPKQKQGX-UHFFFAOYSA-N	251.026	2.636	70	20	CFID	
C[C@H](C(=O)N(C)Cc1cccn1C)c1cccs1	161003639	PYLADGVAYRMGRU-NSHDSACASA-N	262.378	2.849	70	20	CFID	
C[C@H](CC(=O)N[C@H]1CCCSC1)c1ccncc1	161253694	TVXFYOWISSWLJN-YPMHNXCESA-N	264.394	2.587	70	20	CFID	
COC[C@H](NC(=O)Nc1cscc1C)C1CC1	161259289	AEATWQNOTKHUOM-JTQLQIEISA-N	254.355	2.603	70	20	CFID	
Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)ncn1	161412344	UOGOZIGGNCPCGR-UHFFFAOYSA-N	297.236	2.936	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)N2CCN(C3CCCC3)CC2)C1	160009388	YUMXGHGATNMQQY-GJZGRUSLSA-N	278.440	2.900	70	20	CFID	
CC(C)Oc1ccc(CN[C@@H]2C[C@H](C)N(C)C[C@H]2C)cn1	160065845	GSMKIWLYLZYKAP-IJEWVQPXSA-N	291.439	2.687	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H]2CCC[C@H]21	160123081	MCUNERLYXNBRRS-UONOGXRCSA-N	296.411	2.692	70	20	CFID	
Cc1ccc([C@@H]2COCCN2Cc2cnc3ccccn23)o1	160483390	FYBWDKDOUSVKJD-HNNXBMFYSA-N	297.358	2.809	70	20	CFID	
O=C(C[C@@H]1CCCN1)NCC1(c2cccc(Cl)c2)CC1	160548063	IXEHCWWCBMYHIB-AWEZNQCLSA-N	292.810	2.630	70	20	CFID	
CC(C)[C@@H](Cc1ccc(F)cc1)NCC(C)(C)O	160624095	GLEWTKXHRCSTAZ-CQSZACIVSA-N	253.361	2.753	70	20	CFID	
CC[C@H](COC)NCCCc1nc2c(s1)CCCC2	160627177	JWVROSKKEVSWJG-GFCCVEGCSA-N	282.453	2.969	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)Nc1ccn(CC(F)(F)F)n1	160760087	VNWGGWOZFGCRQJ-IUCAKERBSA-N	290.289	2.850	70	20	CFID	
NCC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCCC1	159821251	UOGPHFLCDMGKBV-INIZCTEOSA-N	286.419	2.643	70	20	CFID	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CNCC2CC2)C1	159434476	IQLNWAGOJOJWKY-WBMJQRKESA-N	290.382	2.735	70	20	CFID	
CCO[C@H](C)C(=O)Nc1cc(F)ccc1OC(F)F	159485598	SWWZCNHHZLFKHK-SSDOTTSWSA-N	277.242	2.791	70	20	CFID	
COc1ccc(N(C)C(=O)c2cccnc2OC)cc1F	159685256	FPCKPFWLFJPWHY-UHFFFAOYSA-N	290.294	2.515	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCc2ccco2)n1	159898728	MBIUTOFEADXEHY-UHFFFAOYSA-N	276.340	2.844	70	20	CFID	
Cc1noc(C)c1[C@H](C)NC(=O)CCCn1cccc1	159542108	LVERGIXLPDUFDI-NSHDSACASA-N	275.352	2.751	70	20	CFID	
CC(=O)Nc1cc(C(=O)NCC2(C3CC3)CC2)ccc1F	159960200	HXZABJKYLQJVNS-UHFFFAOYSA-N	290.338	2.704	70	20	CFID	
Cc1ccc(C(=O)NCC2(N)CCCCC2)cc1F	159564157	MIHCVJKKFUCFOV-UHFFFAOYSA-N	264.344	2.526	70	20	CFID	
O=C(c1ccccc1O)N1CC=C(C(F)(F)F)CC1	160598960	ACYQSHRRPWSKRJ-UHFFFAOYSA-N	271.238	2.727	70	20	CFID	
CN(Cc1ccc(Br)cc1)Cc1ccnn1C	160801163	TWMBHHMJCJOPLL-UHFFFAOYSA-N	294.196	2.815	70	20	CFID	
Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@@H]2CO)c1	217947177	ZSCSATKDOKWQLJ-HUUCEWRRSA-N	293.432	2.505	70	20	CFID	
CCNC(=O)CN(CC)C(=O)C[C@@H]1CCCCC1(C)C	160005217	GINXBYFOMBWGJC-ZDUSSCGKSA-N	282.428	2.578	70	20	CFID	
C[C@@H](CCC(=O)NCC1(O)CCCC1)c1ccccc1	160036680	NNQKTWKEIAZCOB-AWEZNQCLSA-N	275.392	2.992	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NCCOc1ccc(F)cc1F	160078589	VEUBQSJRVYEBQD-LALPHHSUSA-N	298.377	2.662	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(Cl)s1)CC2	160370492	OVDMBGOAHFAPIK-PSASIEDQSA-N	296.827	2.967	70	20	CFID	
CC(C)CN1CCC(NC(=O)N2CCC3(CCC3)C2)CC1	159828394	LVRXFFGBMGHYCE-UHFFFAOYSA-N	293.455	2.692	70	20	CFID	
O=C(Cc1ccc(O)cc1)N[C@H]1CCOC2(CCCC2)C1	159832105	UDYIUXDLVPKAAF-AWEZNQCLSA-N	289.375	2.543	70	20	CFID	
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1cc(C)n(C)n1	159671747	FGVDVJAGKAIUEL-NSHDSACASA-N	290.342	2.615	70	20	CFID	
C[C@H]1CCC[C@](CNC(=O)NC2(C)CCC2)(N(C)C)C1	159884484	LPPCAKXBEYWUHX-BBRMVZONSA-N	281.444	2.739	70	20	CFID	
CO[C@H](CNC(=O)c1ccc(Cl)nc1C)C(C)(C)C	159495405	ROXHGMLMAULWFE-LLVKDONJSA-N	284.787	2.834	70	20	CFID	
Cc1cccc(C2(C(=O)NC[C@H](O)C(C)C)CCCC2)c1	159726792	OUTWTJBCZJHBEJ-INIZCTEOSA-N	289.419	2.940	70	20	CFID	
C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1F	159974010	XDNBERMKGCZURW-RNCFNFMXSA-N	269.291	2.711	70	20	CFID	
CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](CN)C1CC1	159879710	VNIRFKISFIKYDQ-WOPDTQHZSA-N	292.345	2.551	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1ccc(F)cc1	160335254	ULUNNQRPJHGIJO-UHFFFAOYSA-N	283.324	2.658	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C(C1CC1)C1CC1	460097294	ZBZQMHOTUTXTHS-UHFFFAOYSA-N	297.351	2.720	70	20	CFID	
O=C(Oc1ccc(F)cc1)c1ccc(S(=O)(=O)F)cc1	865206057	RGDUFEBYXAGJNR-UHFFFAOYSA-N	298.266	2.703	70	20	CFID	
CCc1noc(CS[C@@H](C)C(=O)OC(C)(C)C)n1	161318542	HDGOTDSUEARVLC-QMMMGPOBSA-N	272.370	2.595	70	20	CFID	
CS[C@@H]1CCC[C@H](NC(=O)NC2(C)CCC2)C1	161342868	PDJMYWYGMADSNU-WDEREUQCSA-N	256.415	2.902	70	20	CFID	
CCO[C@@H](C)c1nccn1CC(=O)N(CC(C)C)C1CC1	161464822	RRSBCQQETMZQHH-ZDUSSCGKSA-N	293.411	2.628	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc2[nH]ncc2c1	160078689	NVOVZBGDFHLBIG-AWEZNQCLSA-N	299.374	2.785	70	20	CFID	
CC[C@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1	160137539	FLUGNNWRICZIAR-UKRRQHHQSA-N	261.365	2.866	70	20	CFID	
O=S(=O)(NCC1(C2CC2)CC1)c1ccc2c(c1)CCC2	160213613	SQNXAIQXPKYWCA-UHFFFAOYSA-N	291.416	2.644	70	20	CFID	
CCN(CC)[C@@H](CNC(=O)NC1(C)CCC1)c1ccco1	160216148	BBKCPAORLULWSB-ZDUSSCGKSA-N	293.411	2.904	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NCC(C)(C)O	160592250	SXPPBVZYOYCXSP-QMTHXVAHSA-N	251.345	2.810	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCC1CCCCC1	160788388	UGNIKCKJAKEMID-LBPRGKRZSA-N	269.385	2.805	70	20	CFID	
Cc1ccc(CNC(=O)c2cccc(-c3ncn[nH]3)c2)s1	160799726	UQBLKRWOUMXQJY-UHFFFAOYSA-N	298.371	2.772	70	20	CFID	
NC1(CNC(=O)c2ccc(OC(F)F)cc2)CCCCC1	159464358	STDQFNFWKVBQNQ-UHFFFAOYSA-N	298.333	2.679	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1ccc(NC(=O)C2CC2)nc1	159480564	BJLMVAVYWPCRTJ-LBPRGKRZSA-N	299.378	2.517	70	20	CFID	
Cc1nccc(NC(=O)N2CC[C@]3(CCOC3)C2)c1Cl	159525934	UXOMZLIXNLGWPD-AWEZNQCLSA-N	295.770	2.688	70	20	CFID	
CCc1onc(C)c1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	159535269	KAFGDBYWNBHJSN-UHOFOFEASA-N	282.343	2.614	70	20	CFID	
COC(C)(C)CNC[C@@H](O)c1ccc(C(F)(F)F)cc1	160230134	NBRLIXRQCMXGGB-GFCCVEGCSA-N	291.313	2.753	70	20	CFID	
CC(C)C1CCN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)CC1	161270041	OTWNMCMDMBDIHR-VHRNVKJDSA-N	278.440	2.802	70	20	CFID	
Cc1cc(C(=O)NCc2ccncc2)cc(C)c1F	161341298	KLPCQUOFLDUBKW-UHFFFAOYSA-N	258.296	2.768	70	20	CFID	
CC(C)(C)C[C@H](CO)Nc1nnc(C2CC2)s1	161407155	ZAQBQXAQFMPSAQ-SECBINFHSA-N	255.387	2.625	70	20	CFID	
COc1ccc([C@@H](C)NC(=O)Nc2ccncc2)cc1	217309298	FYPBVZBLCZTNKH-LLVKDONJSA-N	271.320	2.973	70	20	CFID	
Cc1ccc(NC(=O)C=C2CCC2)cc1S(=O)(=O)F	857675190	FGUIXFIOVMZKGC-UHFFFAOYSA-N	283.324	2.702	70	20	CFID	
C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1C	864239754	OAPGEOLWIMJYDK-WDEREUQCSA-N	299.367	2.605	70	20	CFID	
C[C@H](CC(=O)NC[C@@H]1CCOC1)c1ccc(F)cc1F	161104328	POSBCDIFMPQYET-MNOVXSKESA-N	283.318	2.611	70	20	CFID	
CCN1CCCC[C@H]1CN[C@@H](C)c1ccc2c(c1)OCO2	161209064	UDPKPDUOBDFZNS-ZFWWWQNUSA-N	290.407	2.940	70	20	CFID	
CC(C)NCCC(=O)N[C@H](Cc1ccccc1)C1CC1	161259038	GLOHKJMPFNJLMQ-MRXNPFEDSA-N	274.408	2.512	70	20	CFID	
Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCOC2)c1	161343238	DDIQCPBSCINKGO-SNVBAGLBSA-N	298.180	2.585	70	20	CFID	
CCCOCC(=O)N[C@@H]1CCCc2sccc21	160145772	VJSAPFIPNHADKU-LLVKDONJSA-N	253.367	2.668	70	20	CFID	
CCc1ccc([C@@H](C)CC(=O)NCCN(C)CC)cc1	160148608	ZGTJYWWAJDKHIM-AWEZNQCLSA-N	276.424	2.811	70	20	CFID	
CC(C)(C)c1nc(N[C@H]2CCO[C@H](C3CC3)C2)no1	160339281	VSELNBOJMVRCRJ-QWRGUYRKSA-N	265.357	2.737	70	20	CFID	
CC(C)COCCN[C@H](C)c1ccc([S@](C)=O)cc1	160704133	ARKIENYFKGLQCJ-BFUOFWGJSA-N	283.437	2.747	70	20	CFID	
COC[C@H](NC(=O)NC1(C)CCC(C)CC1)C1CC1	159431121	PLHXGYHCENXWLB-QRJNDHJOSA-N	268.401	2.679	70	20	CFID	
CC(C)c1nc(N[C@@H](C)c2nccs2)nc(N(C)C)n1	159562387	QQEHEWVAKIKLOY-VIFPVBQESA-N	292.412	2.691	70	20	CFID	
C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)N1CCCC1	159715308	CDIPJRHWPQQINT-SGMGOOAPSA-N	276.380	2.504	70	20	CFID	
CCO[C@H](C)c1nc(CN2CCCC[C@@H]2CO)cs1	159864415	WGTDTRZZXVBARY-DGCLKSJQSA-N	284.425	2.587	70	20	CFID	
CN(CCCOc1ccc(Cl)cc1)[C@H](CN)C1CC1	160142037	AVSSDYUXNQYFML-OAHLLOKOSA-N	282.815	2.778	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)cc1Cl	161112019	ZLVWFBMFZTXROY-NEPJUHHUSA-N	266.772	2.648	70	20	CFID	
CCCOC(=O)c1ccc(NC(=O)[C@](C)(CC)CN)cc1	217103006	AWJRYWIEHUNEJW-MRXNPFEDSA-N	292.379	2.567	70	20	CFID	
CCOC[C@@H](C)Nc1cncc(Br)c1	159430742	UEKWVYWGZHBVLQ-MRVPVSSYSA-N	259.147	2.681	70	20	CFID	
C[C@H](NC(=O)C(F)F)C12CC3CC(CC(C3)C1)C2	217638317	YFYICHCFUJSPOD-PWFXGISBSA-N	257.324	2.973	70	20	CFID	
COc1ccc(CCN[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1	217912313	XTZAVAASVPORRW-GRDNDAEWSA-N	276.424	2.556	70	20	CFID	
COc1ccc(N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1F	217949999	KTXBHTYRQIVOPO-MISXGVKJSA-N	266.360	2.975	70	20	CFID	
CCCS(=O)(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21	218059546	WPFKGSCECHWUKY-AVGNSLFASA-N	259.415	2.627	70	20	CFID	
COCCC1(CNC(=O)N[C@@H](C)CSC)CCCC1	161076169	ZIIRBTLLMJTAMA-LBPRGKRZSA-N	288.457	2.634	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)ncn1	161247331	GDYUMILIRVVXPH-SECBINFHSA-N	277.274	2.554	70	20	CFID	
Cc1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)[nH]n1	161367200	OOUBVOUONOOOQQ-UHFFFAOYSA-N	285.307	2.570	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)CC1(N)CCC1	161417174	OBBQMMQNSNCXGF-UHFFFAOYSA-N	272.348	2.663	70	20	CFID	
C[C@H]1CC[C@H](CCC(=O)NCC2(C3CC3)CC2)O1	160018777	GTRSOKNCBUWMQY-WCQYABFASA-N	251.370	2.641	70	20	CFID	
CCOc1cccc(NC(=O)/C=C/c2cnn(C)c2C)c1	160492558	PGJJJKAXOFGAEY-CMDGGOBGSA-N	285.347	2.779	70	20	CFID	
CCc1cccc(CC)c1NC(=O)c1cccc(=O)n1C	160647990	FIKBFHVRMRUTIC-UHFFFAOYSA-N	284.359	2.762	70	20	CFID	
CC(C)NCCC(=O)N[C@H](C)[C@H](C)c1ccccc1	160891538	CJMHDGXFBNNULZ-UONOGXRCSA-N	262.397	2.683	70	20	CFID	
CCC(C)(CC)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21	159494763	XQJIEEXZKPVZFY-KGLIPLIRSA-N	266.429	2.755	70	20	CFID	
COC[C@H](C)NCc1cccc(-c2ccccn2)c1	159742820	KQOFPSSELALENL-ZDUSSCGKSA-N	256.349	2.873	70	20	CFID	
COC(=O)[C@H](C)SCc1noc(C2CCCCC2)n1	159552960	GUHJNAFCAPIULC-VIFPVBQESA-N	284.381	2.912	70	20	CFID	
Cc1cc(NC(=O)C[C@H]2CCc3ccccc32)c[nH]c1=O	159565194	PBFRQMYVXUCSMO-CYBMUJFWSA-N	282.343	2.742	70	20	CFID	
CC[C@@H](Nc1cccc(NC(=O)C(C)C)c1)C(=O)OC	159516140	MGEDUZSWEKWOEZ-CYBMUJFWSA-N	278.352	2.645	70	20	CFID	
COCCOc1ccc(N[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1	218068468	KNDIDPRHWPCAQP-GRDNDAEWSA-N	292.423	2.852	70	20	CFID	
CC(C)[C@H]1CCc2ccccc2N1CCS(=O)(=O)F	883954695	WNFFMHITPJRGJJ-CYBMUJFWSA-N	285.384	2.763	70	20	CFID	
Cc1ccc(CNCCNC(=O)OC(C)(C)C)cc1F	218082906	KAAAXUROHCJIMY-UHFFFAOYSA-N	282.359	2.748	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)N(C(C)C)C(C)C	161077955	CBKKOVAZLBTGHI-OAHLLOKOSA-N	291.439	2.937	70	20	CFID	
O=C1NC2(CCCCCCC2)C(=O)N1Cc1nccs1	161126711	YPNLDJAEKPDYPK-UHFFFAOYSA-N	293.392	2.678	70	20	CFID	
COc1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc1N	161396534	HYPBJJFGWNWDSX-BXUZGUMPSA-N	292.379	2.811	70	20	CFID	
COc1cc(C(=O)NCCCC(C)C)cc(OC)c1O	161426102	MNKRVSKOALKSRY-UHFFFAOYSA-N	281.352	2.575	70	20	CFID	
CCc1nc(CN[C@@H](C)c2cccc(C)c2C)n[nH]1	160443906	QSIASXUVBGWHMH-LBPRGKRZSA-N	258.369	2.835	70	20	CFID	
CS[C@@H](C)CC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C	160480746	PMHJEEWGWXVNHL-FZMZJTMJSA-N	298.427	2.686	70	20	CFID	
O=C(Nc1ccn(CC(F)(F)F)n1)NC1CCCC1	160513969	USCMQBRXPJCZRS-UHFFFAOYSA-N	276.262	2.510	70	20	CFID	
CC[C@H](NCc1ccc(CN2CCOCC2)cc1)C1CC1	160630059	HKXVPVOFAQBWDY-SFHVURJKSA-N	288.435	2.797	70	20	CFID	
c1ccc([C@H]2C[C@H](Nc3ncnc4nc[nH]c34)CCO2)cc1	160666405	ZYNALWAFXTYGBC-CHWSQXEVSA-N	295.346	2.685	70	20	CFID	
CC(C)N(C)C(=O)c1ccc(NC(=O)N(C)C)cc1Cl	160669834	AIQMOARTUBMZRJ-UHFFFAOYSA-N	297.786	2.914	70	20	CFID	
C[C@H](N[C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1	160720037	CGMAOMZOTHXAQM-IMJJTQAJSA-N	263.381	2.515	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)nc2)cc1	160789968	DLQHTABVEVFRMY-ZDUSSCGKSA-N	297.358	2.514	70	20	CFID	
CC(C)NCCC(=O)N[C@H](C)[C@@H](C)c1ccccc1	160891282	CJMHDGXFBNNULZ-ZIAGYGMSSA-N	262.397	2.683	70	20	CFID	
Cc1nc(C(C)C)sc1[C@@H](C)NCC(=O)NC(C)C	160924876	ZBERLEJLSJBIHI-SNVBAGLBSA-N	283.441	2.750	70	20	CFID	
CCN(Cc1ccccc1)C(=O)c1cnc2c(c1)ncn2C	159635607	QVLKHCVPGXSYSS-UHFFFAOYSA-N	294.358	2.631	70	20	CFID	
O=C(CCC1CC1)N[C@@H]1CCOC2(CCCC2)C1	159641091	DCAHDWQFCTVKQC-CYBMUJFWSA-N	251.370	2.785	70	20	CFID	
Cc1cc(C)c(C(=O)N[C@@H](CN(C)C)c2ccccc2)[nH]1	159844295	AXHTXJBSHSGPKN-HNNXBMFYSA-N	285.391	2.664	70	20	CFID	
CN(Cc1nccn1C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	159967247	MBSAPKDUQZWKPE-RBSFLKMASA-N	289.423	2.985	70	20	CFID	
Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCS1	159362792	FTGWLTZZHQWTKP-UONOGXRCSA-N	276.405	2.658	70	20	CFID	
COc1cccc(CN[C@H]2CCOC(C)(C)C2)c1OC	160470289	WKUDQKNEACIJTL-ZDUSSCGKSA-N	279.380	2.751	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC(C)(C)C1CC1	1338645209	KHBJPSACSZBVSZ-UHFFFAOYSA-N	299.367	2.572	70	20	CFID	
Cc1cc(OCCCS(=O)(=O)Cl)ccc1Cl	100495499	XKYPSLLVLRYMNK-UHFFFAOYSA-N	283.176	2.986	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)CC1(N)CCC1	161107986	ORYDTMAZMSQZNM-HNNXBMFYSA-N	274.408	2.738	70	20	CFID	
CC[C@H](NCCOCCO)c1cccc(Cl)c1F	161507613	HHGJSCUGIPNISF-LBPRGKRZSA-N	275.751	2.529	70	20	CFID	
CCC[C@H](C)[C@H](CC)NCCN1CCC(N(C)C)CC1	160236709	IFEDJIRXNDNDDB-RDJZCZTQSA-N	283.504	2.817	70	20	CFID	
CN(Cc1cnc(N(C)C)nc1)Cc1ccccc1Cl	160822202	BXPVOGJKBHSYPP-UHFFFAOYSA-N	290.798	2.828	70	20	CFID	
Cc1nnc(CSc2ccc3ccccc3n2)n1C	160941544	RWFDDAMJICUOOH-UHFFFAOYSA-N	270.361	2.964	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1	160986276	VSWOLMRJPKSNBX-BONVTDFDSA-N	288.347	2.589	70	20	CFID	
CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@H](C)CCO	160990298	HTXXMNSFTBRMPJ-LLVKDONJSA-N	299.798	2.876	70	20	CFID	
COc1cc(C(=O)NCc2ccc(O)c(F)c2)ccc1F	159801843	IXCNITYXGPFQDC-UHFFFAOYSA-N	293.269	2.609	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)cc1	159669214	LMOBTPDCGFHSRO-BPUTZDHNSA-N	290.407	2.858	70	20	CFID	
C[C@H](CCn1cccn1)N[C@H]1CC(C)(C)OC1(C)C	159495661	KMHHXOUACPNYHM-OLZOCXBDSA-N	265.401	2.597	70	20	CFID	
O=C1C[C@@H](C(=O)Nc2ccccc2-c2ccccc2)CCN1	159955542	HJCOEYDCUFGNEQ-AWEZNQCLSA-N	294.354	2.818	70	20	CFID	
COc1ccc2c(c1)C[C@@H](NCc1ccoc1)CC2	159553597	IDUBTNLLGUGBAI-HNNXBMFYSA-N	257.333	2.935	70	20	CFID	
Fc1cc(F)cc(CNCCN2CCCCCC2)c1	159804082	FZGYHYDCRRXEOZ-UHFFFAOYSA-N	268.351	2.930	70	20	CFID	
O=C(NCC1(N2CCCCC2)CCCCC1)C(F)F	217597766	GRXJLBROBGQPBY-UHFFFAOYSA-N	274.355	2.557	70	20	CFID	
Cn1cc(C(=O)OCCCC2CCCCC2)cn1	218546431	OOAJQTUXEJJCSF-UHFFFAOYSA-N	250.342	2.937	70	20	CFID	
CC(C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460097048	YTMRARXKCPSMKH-SECBINFHSA-N	273.329	2.575	70	20	CFID	
CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674028	OVKVUGUMSHHPDQ-ZDUSSCGKSA-N	298.339	2.532	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N(C)c1ccc(OC)c(F)c1	161052048	LBKAZQNKGANNHC-JTQLQIEISA-N	289.372	2.646	70	20	CFID	
CCn1c(SCc2ccnn2C)nnc1-c1ccccc1	161176218	SJWAVWPDJNUIIA-UHFFFAOYSA-N	299.403	2.991	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCN(C(C)=O)CC1	161212604	LJALJVDTMUZORM-GDBMZVCRSA-N	294.439	2.672	70	20	CFID	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCNC1	161246922	XWJQFLWSUAWEDV-CFVMTHIKSA-N	290.382	2.530	70	20	CFID	
O=C(NCCCn1ccnc1)c1cc(F)c(Cl)cc1F	161361905	JAFYMZMMSSXTHQ-UHFFFAOYSA-N	299.708	2.635	70	20	CFID	
COCC(C)(C)C(=O)Nc1cnc(Cl)cc1C	160002737	SFODDRMBVCKXFL-UHFFFAOYSA-N	256.733	2.655	70	20	CFID	
O=C(CC[C@@H]1CCCCO1)N[C@H]1CCOC2(CCCC2)C1	160032588	QDNLCVDBPZJZNK-GJZGRUSLSA-N	295.423	2.944	70	20	CFID	
COc1ccc(NCc2ccccc2NC(C)=O)c(C)n1	160649754	IURQTPMDSLTIDH-UHFFFAOYSA-N	285.347	2.969	70	20	CFID	
CCOCCC1(C(=O)NCCN(C(C)C)C(C)C)CCC1	160711508	GUOMAPDZVFJOTG-UHFFFAOYSA-N	298.471	2.818	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1nnc(C(F)(F)F)s1	160759241	APKWFHWEOAPRRP-BYPYZUCNSA-N	285.316	2.637	70	20	CFID	
C[C@@H](N[C@H](CCCO)c1ccccc1)C1CCN(C)CC1	160903956	MBFGPCLDKZLTNE-CRAIPNDOSA-N	290.451	2.820	70	20	CFID	
C[C@H]1C[C@@H](NC[C@@H]2CCc3ccccc32)CCN1C	160961362	IDLBDDNBOBRTMP-BPUTZDHNSA-N	258.409	2.789	70	20	CFID	
C[C@@H](CN1CCCCC1)NC(=O)NCC1(C2CC2)CCC1	159612741	DOHXWNRYGCITLC-AWEZNQCLSA-N	293.455	2.740	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NC2CCN(C3CC3)CC2)C1	159370451	YJQQMHMAVRSMOJ-STQMWFEESA-N	264.413	2.556	70	20	CFID	
C[C@@H]1CCC[C@@H](CNCCNC(=O)OC(C)(C)C)C1	218132915	MDEVQLUNYDHJGA-CHWSQXEVSA-N	270.417	2.927	70	20	CFID	
Cc1occc1C(=O)N[C@@H]1CCCc2cc(N)ccc21	159367623	JRPCBDDEYXSYDR-OAHLLOKOSA-N	270.332	2.978	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(F)cc1	159743767	GCIUYFKNIPARFF-UHFFFAOYSA-N	268.332	2.746	70	20	CFID	
O=C(NCCc1ncc[nH]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	159971219	WREXBIHGEBGDTC-MGPQQGTHSA-N	275.396	2.675	70	20	CFID	
COC[C@H](NC[C@H](C)N(C)Cc1ccccc1)C1CC1	160898855	XQGMCULYKLEZHR-YOEHRIQHSA-N	276.424	2.522	70	20	CFID	
O=S(=O)(Cl)CCCCCCOCC(F)(F)F	112155106	DIVYFMFCXCFKGY-UHFFFAOYSA-N	282.711	2.694	70	20	CFID	
CC[C@@H](C)CCNC(=O)c1ccc(S(=O)(=O)F)cc1	864243721	UHUFPRFBFIPYES-SNVBAGLBSA-N	287.356	2.511	70	20	CFID	
Cc1cccc(OCCCC(=O)N[C@@H]2CCC[C@H](N)C2)c1	161175006	SSJLMYJSRKAMFP-LSDHHAIUSA-N	290.407	2.540	70	20	CFID	
CC(C)(C)c1noc(-c2cccc(-n3ccnn3)c2)n1	161445345	IESDBVBIPQBILT-UHFFFAOYSA-N	269.308	2.615	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1	161447902	FZYLZZYYTAWTGG-LRDDRELGSA-N	298.386	2.832	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N(C)C[C@@H](O)C1CC1	161467105	HDWRLFSHODRCSJ-GXTWGEPZSA-N	270.417	2.615	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12	161507557	MVCKDLCULBISOM-KBMXLJTQSA-N	281.359	2.532	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCCC(C)(C)C	160081420	AMDYJPQLNGAUFH-NSHDSACASA-N	257.374	2.661	70	20	CFID	
CC(C)N(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	160380392	XCBZKZPTLOSQNC-GDBMZVCRSA-N	289.423	2.699	70	20	CFID	
CCN1CCCC[C@H]1C(=O)NCCCSCC(C)C	160771351	UFXYQHOYPONWQK-AWEZNQCLSA-N	286.485	2.756	70	20	CFID	
CCc1ccccc1NC(=O)C(=O)N1CCC2(CCC2)C1	159453480	FNRYQHKIKFVKFI-UHFFFAOYSA-N	286.375	2.590	70	20	CFID	
CC(C)Oc1ccc(C(=O)NCC2(C3CC3)CC2)cn1	159670502	MZCYCXXCLYFQME-UHFFFAOYSA-N	274.364	2.789	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)CCCn2cccc2)C12CCC2	159680111	QFLDBAUWBUHZFS-LSDHHAIUSA-N	290.407	2.732	70	20	CFID	
O=C(CCCn1cccc1)Nc1ccc(-c2nnc[nH]2)cc1	159493611	BVLKQSRXWUCOBO-UHFFFAOYSA-N	295.346	2.692	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)n1C	159368174	ZFZCZYJSUYFFCK-OAHLLOKOSA-N	283.375	2.723	70	20	CFID	
Cc1ccccc1CS(=O)(=O)CCc1c(C)noc1C	159560252	LEHMHMUPXBIHGY-UHFFFAOYSA-N	293.388	2.757	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cccc(-n2ccnc2)c1	159974247	SRSLMUVHKWHIFS-NSHDSACASA-N	275.377	2.952	70	20	CFID	
CCc1ncnc(NC[C@H]2Cc3ccccc3O2)c1F	217968247	PQACQAABKKLMRX-LLVKDONJSA-N	273.311	2.594	70	20	CFID	
CS[C@@H]1CCCC[C@H]1Nc1nccn2c(C)nnc12	218057168	SGBOJKXDBIRORL-GHMZBOCLSA-N	277.397	2.519	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@@H]1CCCC[C@H]1C	160756407	WCHGHBCJHXZRRT-ZIAGYGMSSA-N	275.458	2.710	70	20	CFID	
Cc1ccnc(NC[C@H]2CN(Cc3ccccc3)CCO2)c1	161098010	YNGCAQCFFQVFNU-KRWDZBQOSA-N	297.402	2.703	70	20	CFID	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCCNC2)C1	161044201	SBNBYAHSAZVPSV-XJKCOSOUSA-N	290.382	2.735	70	20	CFID	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCCNC2)C1	161044325	SBNBYAHSAZVPSV-WOSRLPQWSA-N	290.382	2.735	70	20	CFID	
CCN1CCCC[C@H]1CN[C@@H](C)c1cncc(F)c1	161198390	SGNFBQJMBGTROH-WFASDCNBSA-N	265.376	2.746	70	20	CFID	
COc1ccc([C@H](C)[C@H](C)N[C@@H](CCO)CSC)cc1	160306334	YMEOILKLOHYRDS-IPYPFGDCSA-N	297.464	2.891	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCc1ccco1	160550380	VFUUIIAAYHFQHV-UHFFFAOYSA-N	261.325	2.767	70	20	CFID	
CCC(CC)CC(=O)N(C)c1ccc(S(C)(=O)=O)cc1	160761485	OECSQYBQKXVHEP-UHFFFAOYSA-N	297.420	2.879	70	20	CFID	
CCCCNc1ccccc1C(=O)N[C@@H](C)COC	160956085	CIYNLXRNVSZCAM-LBPRGKRZSA-N	264.369	2.663	70	20	CFID	
Cc1ncccc1C(=O)N1CCc2c(F)cccc2C1	160975250	GZNJIZOZYPABRK-UHFFFAOYSA-N	270.307	2.728	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c(O)c1	159811811	ZCYZUJCIPFHMPW-ZDUSSCGKSA-N	289.375	2.922	70	20	CFID	
Cc1cc(NC(=O)c2cccc(OC(F)F)c2)c[nH]c1=O	159689200	RPRISXMZQOWIGV-UHFFFAOYSA-N	294.257	2.537	70	20	CFID	
CCC(CC)[C@@H](O)CNC(=O)Nc1ccnc(C)c1Cl	159904662	QOMXEIAFQUUBPI-LBPRGKRZSA-N	299.802	2.962	70	20	CFID	
C[C@H](NC[C@@H](C)N1CCc2ccccc21)c1cnn(C)c1	159920856	OZFNHOQQWRUWDT-KGLIPLIRSA-N	284.407	2.522	70	20	CFID	
COCCCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	159543845	HBFYMCUYLOUUBA-GDBMZVCRSA-N	291.391	2.697	70	20	CFID	
Cc1cc(-c2ccc(S(=O)(=O)Cl)cc2)on1	536955241	WDQYNZRTOJEOFG-UHFFFAOYSA-N	257.698	2.578	70	20	CFID	
CCOc1ccc2ccccc2c1OS(=O)(=O)F	1887504172	CMSFOXCXFWYJFM-UHFFFAOYSA-N	270.281	2.832	70	20	CFID	
CC[C@H](C)NC(=O)CCNCc1cccc2cc[nH]c12	218145944	WDQCNRJOYZQOHE-LBPRGKRZSA-N	273.380	2.562	70	20	CFID	
CCn1cnnc1CNCc1ccc(C(C)(C)C)cc1	218226699	CHABFTLYPZFXJT-UHFFFAOYSA-N	272.396	2.885	70	20	CFID	
C[C@@H](CN[C@H]1CCCc2ccc(O)cc21)N(C)C1CC1	217560219	PRAKNHIEYHHTJA-SJCJKPOMSA-N	274.408	2.842	70	20	CFID	
CCOc1ccc(NC2CCN(C(C)=O)CC2)cc1F	159491703	PCYDGONAYFEGQF-UHFFFAOYSA-N	280.343	2.647	70	20	CFID	
CCN(CC)c1ncc(CNCC2(CO)CCCC2)s1	160082502	UVRNPUYVMKSMMS-UHFFFAOYSA-N	297.468	2.632	70	20	CFID	
CCC1CCC(CNC(=O)N2CCC[C@@](C)(O)C2)CC1	161113012	BXMNUYGKXQRFGA-ZBCRRDGASA-N	282.428	2.759	70	20	CFID	
O=C(Nc1cccc2[nH]ccc12)[C@@H]1CCn2ccnc2C1	161130895	XQIVHAJCRWFCGC-LLVKDONJSA-N	280.331	2.566	70	20	CFID	
CCC[C@H](C(=O)NCC(C)(C)CN(C)C)C(C)C	161140203	AGVTVTAKNVTDDV-ZDUSSCGKSA-N	256.434	2.763	70	20	CFID	
C[C@@H]1CCc2c(sc(=O)n2Cc2nccs2)C1	161345364	GDGKYEYGVZSCDN-MRVPVSSYSA-N	266.391	2.539	70	20	CFID	
CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)CC(C)C)c1	161437768	UGVMJGPDWCEEQR-OLZOCXBDSA-N	298.452	2.680	70	20	CFID	
CCN(CC)CCC[C@@H](C)NC(=O)[C@H]1CC1(C)C	160080999	OZGNKFYRGIMDDB-CHWSQXEVSA-N	254.418	2.659	70	20	CFID	
O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@@H](CCO)C1	160189851	QPBNKWDGJANYIO-CNSOWSRNSA-N	291.435	2.680	70	20	CFID	
C[C@@H](CO)CNC(=O)c1ccc(-c2ccccc2Cl)o1	160478062	SBHMFTIKCHTFEL-SNVBAGLBSA-N	293.750	2.958	70	20	CFID	
Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2Cl)oc1C	159606570	FPIREHVEAFECSC-UHFFFAOYSA-N	292.722	2.901	70	20	CFID	
CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCC1(C)C	159486584	GYTOWGXIEZNZEK-CYBMUJFWSA-N	269.433	2.547	70	20	CFID	
Cc1cccc(C)c1CNCCCOC[C@@H]1CCCO1	160412759	SWKPTSYVJFYUKM-INIZCTEOSA-N	277.408	2.979	70	20	CFID	
C[C@H](NC1CCN(C2CCCC2)CC1)c1cnccn1	160477671	KHRBJFJUONXYOF-ZDUSSCGKSA-N	274.412	2.534	70	20	CFID	
Cc1cccc(CN(C)C(=O)N2CCCCCC2)n1	160700057	GKDVDMFCYTVLNU-UHFFFAOYSA-N	261.369	2.818	70	20	CFID	
Cc1cccc(CNC(=O)NCCCOC(C)C)c1	217314510	RXUXXISOWLNGMW-UHFFFAOYSA-N	264.369	2.609	70	20	CFID	
CC1(NCc2cnn(Cc3ccccc3)c2)CCC1	159917995	QFAKNIHDMRYCCM-UHFFFAOYSA-N	255.365	2.964	70	20	CFID	
CC(C)(C)CC(=O)Nc1cccc(S(=O)(=O)F)c1	460088893	DJRPLBOVGKRSQT-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
CC(=O)Nc1cc(NC(=O)c2ccc(O)nc2C)ccc1C	160070321	GGKRPZJOQOEUMH-UHFFFAOYSA-N	299.330	2.615	70	20	CFID	
O=C(C[C@H]1CSCCS1)Nc1ccc(Cl)cn1	160073634	SAMJNYRVROPGOH-VIFPVBQESA-N	288.825	2.912	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)C[C@@H](C)O	160093690	WMNYCUDJYIIQRI-MRVPVSSYSA-N	280.755	2.583	70	20	CFID	
Cc1cc(NC(=O)c2csc([C@@H]3CCCO3)n2)no1	160344346	MGDFDOBVQVAMLM-VIFPVBQESA-N	279.321	2.543	70	20	CFID	
CCC[C@@H](O)CNC(=O)CCCOc1ccc(C)cc1C	160417039	SIHNGMJZQPIVHA-OAHLLOKOSA-N	293.407	2.740	70	20	CFID	
CCCC1(CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1	160490675	TXUNSGLANCDBNQ-KBPBESRZSA-N	283.412	2.657	70	20	CFID	
Cc1[nH]ccc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160642613	APPAWHUGCIVZKC-CYBMUJFWSA-N	276.380	2.935	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(F)(F)F	160677462	POIHUTGCIOORFU-HTQZYQBOSA-N	263.284	2.839	70	20	CFID	
CC(C)(C)c1nc(CCNC(=O)COCC2CC2)cs1	160701054	AAKFQFMNLYIWMG-UHFFFAOYSA-N	296.436	2.526	70	20	CFID	
CCC[C@H]1CN(C(=O)C(C)(CC)CC)CCN1CCOC	159407434	FJYABNMHUXVZNK-HNNXBMFYSA-N	298.471	2.772	70	20	CFID	
CC(C)c1ccccc1OCCC(=O)NCC(F)F	159418897	NPZBRTWFXOWBPY-UHFFFAOYSA-N	271.307	2.960	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CCN3CCCC[C@@H]3C2)o1	159439765	QVJKCKZKGHSZBP-MYSGNRETSA-N	288.391	2.552	70	20	CFID	
Cc1c(C(=O)NCCOCCC(C)C)cnn1CC(C)C	159635441	LJYMWHYOXWZEQL-UHFFFAOYSA-N	295.427	2.640	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2C[C@@H]2C2CC2)cc1F	159862550	ACBRHKBREJQTRY-NEPJUHHUSA-N	263.312	2.843	70	20	CFID	
CSCCCCC(=O)NC[C@H](C)N1CCC[C@@H](C)C1	159875046	KGDFZOYKRNKEBC-KGLIPLIRSA-N	286.485	2.756	70	20	CFID	
CO[C@@H](CNC(=O)c1ccc(Cl)nc1C)C(C)(C)C	159495270	ROXHGMLMAULWFE-NSHDSACASA-N	284.787	2.834	70	20	CFID	
CCc1cccc(OCCN(C)C[C@@H]2CCC[C@@H]2O)c1	159724997	XBIQCQFUHUWYGS-RDJZCZTQSA-N	277.408	2.721	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2CCC[C@H]2C)n1	159966759	GPIWGNYOBKXVRT-GFCCVEGCSA-N	264.373	2.945	70	20	CFID	
CCc1noc(C)c1CSCC(=O)N(CC)CC	159979600	FEEQIAVKHGKDJF-UHFFFAOYSA-N	270.398	2.647	70	20	CFID	
CO[C@H](C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159983535	CYYILSQJWQKPGR-CJNGLKHVSA-N	284.359	2.631	70	20	CFID	
CCCNC(=O)c1cccc(NCC2=CCCOC2)c1	160132017	DNMZXYXGUQSLEE-UHFFFAOYSA-N	274.364	2.585	70	20	CFID	
O=S(=O)(Cl)CCCCCOc1ccccc1	113155819	AQKXTNYHEALZFE-UHFFFAOYSA-N	262.758	2.804	70	20	CFID	
CCCCOC(=O)CN1CCC[C@H]1c1cccc(C)n1	159861096	UAAHAXYCWNDXBB-HNNXBMFYSA-N	276.380	2.870	70	20	CFID	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)Nc1cccc(S(=O)(=O)F)c1	460091426	JZCMMMWOMBMTLB-KWBADKCTSA-N	297.351	2.720	70	20	CFID	
C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCOC(C)(C)C1	161170132	NFRPCHXPIDEPDK-UPJWGTAASA-N	268.401	2.822	70	20	CFID	
Cc1nc(CC(C)C)sc1C(=O)N[C@@H]1CCC[C@H](N)C1	161209501	HCEARHGMNVSGTF-NWDGAFQWSA-N	295.452	2.650	70	20	CFID	
CSC[C@H](C)C(=O)OCc1nc(C)sc1C	161288795	KUOSCHHLRUHUAM-ZETCQYMHSA-N	259.396	2.802	70	20	CFID	
O=C(Cc1cc(F)c(F)cc1F)N(CC(F)F)C1CC1	160101978	XQVLTBAYQWACJK-UHFFFAOYSA-N	293.235	2.903	70	20	CFID	
Cc1nnc(-c2ccc(C(=O)N(C)c3ccccn3)cc2)o1	160108881	MCHKYTXRYZQFQL-UHFFFAOYSA-N	294.314	2.717	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)C1(C)CCC1	160113567	ZXIMJGOWEFMLNN-ZDUSSCGKSA-N	259.349	2.989	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCCc3sccc32)no1	160248364	DSGROLAFJUWRCU-JTQLQIEISA-N	262.334	2.852	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1ccc2ccccc2c1	160743036	GRYSAKQQMYGEIE-CYBMUJFWSA-N	299.370	2.840	70	20	CFID	
CS[C@H]1CCCCN(C(=O)C2=C(C)OCCC2)C1	160774903	ZKHWMDZNKQKBJS-LBPRGKRZSA-N	269.410	2.815	70	20	CFID	
CC[C@@H](CC(=O)Nc1c[nH]c(=O)c(C)c1)C(C)C	159654172	UXTDBPQVOJKTIJ-NSHDSACASA-N	250.342	2.694	70	20	CFID	
C[C@@H](NC[C@@](C)(O)c1ccsc1)c1cncs1	159959669	GJSJPTUFXCHILP-BXKDBHETSA-N	268.407	2.763	70	20	CFID	
NC(=O)CC1CCN(Cc2cccc(Cl)c2F)CC1	159832189	YXYYRDLIIBFHFC-UHFFFAOYSA-N	284.762	2.567	70	20	CFID	
Cc1cc(C)cc(N(C)CCCS(=O)(=O)C(C)C)c1	160955035	OWGSLXIYECMIDR-UHFFFAOYSA-N	283.437	2.953	70	20	CFID	
COc1ccc(CS(=O)(=O)Cl)cc1Br	105745374	RWJPPDQQFWMAJR-UHFFFAOYSA-N	299.573	2.526	70	20	CFID	
CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864240983	GIYHAWAGEXLPLY-CMPLNLGQSA-N	299.367	2.748	70	20	CFID	
Cc1cccc(Cn2ccc(C(=O)OC(C)C)cc2=O)c1	161045292	OMOHSYJDSFPMSN-UHFFFAOYSA-N	285.343	2.770	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NC[C@@H](C)CN2CCCC2)on1	161078111	OFHDRUSYYIJBFG-OLZOCXBDSA-N	293.411	2.650	70	20	CFID	
CC(C)n1nccc1C(=O)N1CCC[C@@H]2CCC[C@@H]21	161325043	KKTSDOKMBFDPQN-STQMWFEESA-N	261.369	2.869	70	20	CFID	
COc1ccc(NC(=O)C[C@@H](C)C(C)C)cc1N	161388970	YRUODZHFOAYYIF-SNVBAGLBSA-N	250.342	2.898	70	20	CFID	
CCOc1ccc(OC)cc1NC(=O)NOCC(C)C	160097017	ZJGSJMRSZVYMHM-UHFFFAOYSA-N	282.340	2.803	70	20	CFID	
CCCCn1ncc(NC(=O)NC(CC)(CC)CO)c1C	160179134	LZBYURODEPWHDR-UHFFFAOYSA-N	296.415	2.664	70	20	CFID	
COC[C@H](NC[C@H](C1CCCCC1)N(C)C)C1CC1	160426117	GPHQPJHSMCMTJM-JKSUJKDBSA-N	268.445	2.512	70	20	CFID	
Cc1nc(CCCC(=O)N(C)Cc2cccn2C)cs1	160914561	QGIYZCKOGSVNBG-UHFFFAOYSA-N	291.420	2.771	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1	159618125	MFWCRVCWAPRLAI-BXUZGUMPSA-N	290.363	2.712	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CCc1ccccn1	159988650	WDBLQSIEMMKIPC-INIZCTEOSA-N	296.370	2.827	70	20	CFID	
Cc1ccc2cc(CN3CC[C@@H](N)[C@@H](C)C3)ccc2n1	218371297	SYNGHXYJRWNRCP-BLLLJJGKSA-N	269.392	2.712	70	20	CFID	
CCO[C@@H]1C[C@H](NCC2(N(C)C)CCCC2)C12CCC2	160685847	DIZIAYMVQKQBDX-LSDHHAIUSA-N	280.456	2.798	70	20	CFID	
CCCN(CCO)Cc1cccc(OC(F)(F)F)c1	161229266	UATZOQRCGRFAJZ-UHFFFAOYSA-N	277.286	2.790	70	20	CFID	
Cc1nc(CCNC(=O)c2ccnn2C(C)C)sc1C	161047896	AXTBDSSBCGXCLM-UHFFFAOYSA-N	292.408	2.510	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC(=O)NOCc1cccnc1	161101838	HGKCRCBBPTZRHS-KGLIPLIRSA-N	277.368	2.781	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)CC[C@H](C)O	160130508	LJNNDLHJOPXMFU-VIFPVBQESA-N	294.782	2.973	70	20	CFID	
CCO[C@@H](C)C(=O)N[C@@H]1CCCc2sccc21	160140935	OARHZMKQJDGOSP-GXSJLCMTSA-N	253.367	2.667	70	20	CFID	
CCCC1(CNC(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1	160535297	GXGCBGUIIGJPTI-ZDUSSCGKSA-N	286.375	2.809	70	20	CFID	
CCN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCCC1	160584426	ASUKZUMTOXLQNZ-HIFRSBDPSA-N	280.412	2.918	70	20	CFID	
COc1ccc([C@H](C)[C@@H](C)NCC(C)(C)O)cc1	160629641	GZZHSZHTEZYIFF-VXGBXAGGSA-N	251.370	2.548	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C[C@@H]1CCc2ccccc21	160641531	QURLYAKBJHVIRZ-GJZGRUSLSA-N	275.392	2.630	70	20	CFID	
CC(C)CSCCCNC(=O)CC[C@@H]1CCCO1	160758044	JFLKXXUHSCUZPI-ZDUSSCGKSA-N	273.442	2.841	70	20	CFID	
COC(=O)c1ccc(NC(=O)N[C@@H](C)C2CCC2)cc1	160869193	LFCGAGOTMNIWDD-JTQLQIEISA-N	276.336	2.783	70	20	CFID	
CCOCCC1(C(=O)Nc2c[nH]c(=O)c(C)c2)CCCC1	159681897	SLDKPASKOAQHKJ-UHFFFAOYSA-N	292.379	2.609	70	20	CFID	
CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@H](O)C(C)C	159715619	AVYJBMHHVBGIOY-ZDUSSCGKSA-N	299.798	2.874	70	20	CFID	
Cc1cc(NC(=O)CCc2cccc(F)c2F)c[nH]c1=O	159549493	WRFIIKQMXWQDRO-UHFFFAOYSA-N	292.285	2.533	70	20	CFID	
Cc1nc(CNC(=O)NC[C@]2(C)CCCS2)cs1	159576684	JGCAIFSJYIGZQM-LBPRGKRZSA-N	285.438	2.536	70	20	CFID	
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCCCCC1	160929227	BUZXHROGWGRHKG-MJBXVCDLSA-N	278.396	2.530	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@@H](N(C)C)C1	161491720	IIAWEDPWXUIRFK-NWDGAFQWSA-N	295.814	2.646	70	20	CFID	
CC[C@@H](COCC1CCCC1)CS(=O)(=O)Cl	117276897	BALXZPXQFBIIKA-JTQLQIEISA-N	268.806	2.788	70	20	CFID	
CC1(C)CN(CCS(=O)(=O)F)c2ccccc2S1	883954713	WXTFTNGYXVVFPW-UHFFFAOYSA-N	289.397	2.677	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H]1CCCNC1	161097943	RHFUAWCNLNCULX-HSMVNMDESA-N	290.382	2.565	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCn1cccn1	161205479	AVONYMVCZNVRFL-CHWSQXEVSA-N	289.404	2.563	70	20	CFID	
O=C1CCc2cc(C(=O)CSc3ccncc3)ccc2N1	160034450	GUMOETFVAKZMDD-UHFFFAOYSA-N	298.367	2.941	70	20	CFID	
C[C@H](CCC(=O)NCC1(O)CCCC1)c1ccccc1	160036816	NNQKTWKEIAZCOB-CQSZACIVSA-N	275.392	2.992	70	20	CFID	
CCc1ccccc1OCC(=O)NCC1(C2CC2)CC1	160158113	JUOSRJYBJIKQIT-UHFFFAOYSA-N	273.376	2.934	70	20	CFID	
Cc1cnccc1NC(=O)C[C@@H](C)c1ccncc1	160483645	QMMSXYVFKPQYFZ-LLVKDONJSA-N	255.321	2.917	70	20	CFID	
C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160581410	QJMNDPXLJAMKHB-LBPRGKRZSA-N	299.378	2.888	70	20	CFID	
CCOCCC1(C(=O)N(C)Cc2ccco2)CCC1	160607991	ZXVGFDWWSRCWIT-UHFFFAOYSA-N	265.353	2.835	70	20	CFID	
Cc1conc1NC(=O)C[C@H](C)c1c(C)noc1C	160950759	IXLLLPMLIHNPJL-ZETCQYMHSA-N	263.297	2.720	70	20	CFID	
CC(C)(C)NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	160973045	TYPRRCYRJJGSOG-AWEZNQCLSA-N	292.423	2.886	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C(C)=O)cn1C	159824286	MEJPBNQDUIMAOP-DGCLKSJQSA-N	262.353	2.536	70	20	CFID	
C[C@H](C(=O)N(C)C[C@H]1CCCOC1)c1cccs1	159447996	QUESYHIHOUVZHI-NWDGAFQWSA-N	267.394	2.737	70	20	CFID	
CCN1CCC(NC(=O)[C@H]2C[C@H]2c2sccc2C)CC1	159912362	FTCKFDNGDLWQGB-KGLIPLIRSA-N	292.448	2.761	70	20	CFID	
CCO[C@H]1C[C@H](NC(=O)c2ccnn2C(C)C)C12CCC2	159755973	RPMYDLQWIDSIQO-KBPBESRZSA-N	291.395	2.542	70	20	CFID	
CCCNC(=O)[C@H](C)N[C@H](C)c1cccc(F)c1F	159505085	JIZXNCVGTNDZRO-ZJUUUORDSA-N	270.323	2.530	70	20	CFID	
CCSCC[C@@H](C)NC(=O)c1ccc2c(c1)NCC2	160230438	UPLXCQMDWYRRNJ-LLVKDONJSA-N	278.421	2.916	70	20	CFID	
COc1cc(N[C@@H](C)C(=O)NCCC(C)C)ccc1F	160269850	CGWUSLFNTQVPHW-NSHDSACASA-N	282.359	2.797	70	20	CFID	
CCSCC[C@@H](C)NC(=O)c1cccc2[nH]cnc12	159748419	JBVZYYIQTYCIDF-SNVBAGLBSA-N	277.393	2.824	70	20	CFID	
NC[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1	217595371	QUGWYGWQJJCSEX-DEBLGDTFSA-N	278.783	2.693	70	20	CFID	
CCO[C@@H]1CCCN(C[C@@H](O)c2cc3ccccc3o2)C1	216982831	SYUXZEXRLFKMTP-HUUCEWRRSA-N	289.375	2.967	70	20	CFID	
O=S(=O)(Cl)c1ccnc2ccc(Cl)cc12	97973145	CHFWXWXHTLCAAR-UHFFFAOYSA-N	262.117	2.816	70	20	CFID	
O=S(=O)(Cl)C[C@@H]1CCC[C@H](C(F)(F)F)C1	156944210	XQXMCMNDICVDMM-RQJHMYQMSA-N	264.696	2.924	70	20	CFID	
Cc1nc(CC(=O)Nc2cc(Cl)ccn2)c(C)s1	161168790	VYUIRUQERQSYFF-UHFFFAOYSA-N	281.768	2.990	70	20	CFID	
CCc1ncc(NC(=O)NCc2ccccc2C)cn1	161183267	NCXYTGVSYKXCMG-UHFFFAOYSA-N	270.336	2.669	70	20	CFID	
CC[C@@H](C)N(C)CCNC(=O)c1cnc(C(C)C)s1	161469001	SSTVIAIAPAYYGK-LLVKDONJSA-N	283.441	2.727	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(-n2cccn2)cc1	160125615	KZVPENDPKLMFCF-UHFFFAOYSA-N	281.359	2.792	70	20	CFID	
CCCNC(=O)CCNC(=O)CC1CCC(C)(C)CC1	160246840	HAXIRNOXAKPZOY-UHFFFAOYSA-N	282.428	2.625	70	20	CFID	
CCCCCOCC(=O)NCc1nc2c(C)cccc2[nH]1	160558413	FXNJCCJAMXZCKC-UHFFFAOYSA-N	289.379	2.694	70	20	CFID	
CSC[C@](C)(O)CNC(=O)CC[C@@H](C)c1ccccc1	160598981	IMPRWIAKNYFJLK-CZUORRHYSA-N	295.448	2.801	70	20	CFID	
O=[S@](Cc1nccs1)c1ccc2c(c1)OCCCO2	160641364	FWLUAJGVLXBSLN-IBGZPJMESA-N	295.385	2.612	70	20	CFID	
CCCCN(C)C(=O)CSc1cc(Cl)nc(C)n1	160700364	REDDAZFDLNPZRZ-UHFFFAOYSA-N	287.816	2.789	70	20	CFID	
COC(=O)c1csc(NC(=O)N2C[C@H]3CCC[C@H]3C2)c1	160704426	ACLILMHADXMERY-AOOOYVTPSA-N	294.376	2.799	70	20	CFID	
C[C@H](CNCc1cccc2c1NCCC2)CN1CCCC1	159413115	KNOAUUCYRVIRCA-OAHLLOKOSA-N	287.451	2.866	70	20	CFID	
CCOC(=O)CN(C1CC1)[C@H]1CCc2ccccc21	159546590	RPNJOCBPCAJTGL-HNNXBMFYSA-N	259.349	2.701	70	20	CFID	
Cc1nc(C2(NC(=O)c3cc(C)c(C)o3)CCCC2)no1	159764829	VBBDAWQLVDBJBB-UHFFFAOYSA-N	289.335	2.787	70	20	CFID	
COCCCOc1cc(C)ccc1CNC(=O)C(C)(C)F	159397787	TZCOKYTUDBUACA-UHFFFAOYSA-N	297.370	2.775	70	20	CFID	
CCc1ccc([C@@H](CO)NC(=O)NCC2(C)CCC2)cc1	159581694	QIDWFZHKBWMORR-OAHLLOKOSA-N	290.407	2.772	70	20	CFID	
O=S1(=O)CCC(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	218029611	DBGZNKSMWSEGPU-UMVBOHGHSA-N	285.453	2.512	70	20	CFID	
C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O	159425886	KRGUFMNNFMHFHE-GWCFXTLKSA-N	273.298	2.908	70	20	CFID	
CCCN(Cc1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1	161091435	QSNDAXOQVQTXNH-MRXNPFEDSA-N	295.448	2.703	70	20	CFID	
C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](C)C1	864243203	ACIVQAGGDJXRMA-GHMZBOCLSA-N	299.367	2.605	70	20	CFID	
Cc1cccc(OC(F)F)c1S(=O)(=O)Cl	130258797	KKPRVWXOLJSCSI-UHFFFAOYSA-N	256.657	2.524	70	20	CFID	
Cc1ccccc1[C@@H](C)NC(=O)NOCc1cccnc1	161005486	WDRDYQSCKJFEDT-CYBMUJFWSA-N	285.347	2.882	70	20	CFID	
c1ccc2[nH]c(NC[C@@H]3CSCCS3)nc2c1	161089527	VUARISLWNPCVCK-SECBINFHSA-N	265.407	2.823	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H]3C)c2C)o1	161405491	IJSKJBUCLUOGAK-XVKPBYJWSA-N	259.309	2.881	70	20	CFID	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC1CCC1	161412787	MHMDGIYKEPKWQJ-LBPRGKRZSA-N	296.411	2.644	70	20	CFID	
Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCn2ccnc2C1	161436658	XMJHLQIIEKEGHV-XJKSGUPXSA-N	295.386	2.558	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](C)CCOC)c1C	160144007	ZRAZMPMDNBSHQR-LLVKDONJSA-N	282.388	2.538	70	20	CFID	
COC(=O)c1ccc(CNc2ccc(F)c(OC)c2)nc1	160285056	KFXGQTHGODKXAG-UHFFFAOYSA-N	290.294	2.628	70	20	CFID	
Cc1ccccc1-c1cccc(CN2CCNC(=O)C2)c1	160500519	WLJRUPOYQNFNIB-UHFFFAOYSA-N	280.371	2.594	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)N[C@H]2COc3ccccc3C2)C1	160517692	XVXFTOZLBAJCOV-AEGPPILISA-N	273.376	2.933	70	20	CFID	
Cc1ccc2c(c1)[C@H](NC(=O)NCC1(C3CC3)CC1)CO2	160535303	VDKAJTBGIKXXEU-CQSZACIVSA-N	286.375	2.918	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C(CC)CC)no1	160764217	TYJZPQNAPOKQRS-SNVBAGLBSA-N	296.367	2.650	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)nc2)cc1	160789837	DLQHTABVEVFRMY-CYBMUJFWSA-N	297.358	2.514	70	20	CFID	
CC[C@H](NCC(=O)NC(C)C)c1cc(F)ccc1F	160929750	IHBMMQBIWDKIQP-ZDUSSCGKSA-N	270.323	2.530	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(C)C)nn1C	159831228	APZAACWVMPNMMF-NEPJUHHUSA-N	263.385	2.852	70	20	CFID	
Cc1cc(NC(=O)Cc2c(F)cccc2Cl)c[nH]c1=O	159689650	HKCMBSKHKBNJJN-UHFFFAOYSA-N	294.713	2.657	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)c1Cl	159393935	GWUPBWIXHJBYIZ-ONGXEEELSA-N	297.786	2.811	70	20	CFID	
CCSCC[C@H](C)N[C@H]1CCOC2(CCOCC2)C1	160159992	OMQNOMDQMZXTAL-KBPBESRZSA-N	287.469	2.836	70	20	CFID	
CCc1cc(O)nc(CN(C)Cc2ccccc2F)n1	160524636	ACWCBXBQODSJQM-UHFFFAOYSA-N	275.327	2.516	70	20	CFID	
C[C@@H](OCCCCCS(=O)(=O)Cl)C(F)(F)F	117760289	RFDOVBZKKSCXRS-SSDOTTSWSA-N	282.711	2.693	70	20	CFID	
CCOc1ccc(CNC(=O)Nc2nccs2)cc1	217300847	CBTLZWYIZJVKAJ-UHFFFAOYSA-N	277.349	2.864	70	20	CFID	
O=S(=O)(/C=C/CBr)Cc1ccccc1	35924360	AWJXDAPONPZJCO-XBXARRHUSA-N	275.167	2.510	70	20	CFID	
O=C(c1ccc(O)cc1F)N1CCCCCCC1	161205611	VZJHPFUXYXSCIB-UHFFFAOYSA-N	251.301	2.938	70	20	CFID	
Cc1ccccc1NC(=O)Cn1nc(C2CC2)nc1C1CC1	161455089	KBFXDZXISOHBHH-UHFFFAOYSA-N	296.374	2.980	70	20	CFID	
O=C(CC[C@H]1CCCCO1)N[C@H]1CCOC2(CCCC2)C1	160032737	QDNLCVDBPZJZNK-LSDHHAIUSA-N	295.423	2.944	70	20	CFID	
CC[C@@H](CCO)NC(=O)CCc1ccc(C)c(Cl)c1	160068991	QFGIKAWLWMDMLO-ZDUSSCGKSA-N	283.799	2.858	70	20	CFID	
CCNC(=O)c1cccc(CN[C@H](C)[C@H](C)CC)c1	160160620	CQURXAOVJTTWHF-CHWSQXEVSA-N	262.397	2.961	70	20	CFID	
CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H](C)O1	160262607	GZEDGVYTONMTJJ-UMVBOHGHSA-N	276.380	2.601	70	20	CFID	
CC[C@@H](NCCN1CCC(N(C)C)CC1)C1CCCCC1	160287431	SSHQTHFNOPUMLC-GOSISDBHSA-N	295.515	2.961	70	20	CFID	
CNC[C@@H](C)C(=O)Nc1ccc(OCCC(C)C)cc1	160305384	AAZKZFLYTYQBCU-CYBMUJFWSA-N	278.396	2.906	70	20	CFID	
CCCOC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2F)C1	160368901	ZQKOXDHDOROARN-DOMZBBRYSA-N	295.354	2.541	70	20	CFID	
Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CCCO3)cc2)n1	160636591	RIQKSWXCMHBUJF-AWEZNQCLSA-N	299.330	2.695	70	20	CFID	
CC(=O)c1c[nH]c(C(=O)Nc2cccc(OCCF)c2)c1	160646201	DHOQILOZOQODLG-UHFFFAOYSA-N	290.294	2.818	70	20	CFID	
CCc1ccc(/C=C/C(=O)Nc2cc(CN(C)C)ccn2)o1	160779957	QQXKULKNTPSIND-BQYQJAHWSA-N	299.374	2.951	70	20	CFID	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1cnn(C)c1C	160997176	QNQXVQOUCSJZBM-HIFRSBDPSA-N	292.427	2.887	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccs1	159802786	HQHMYOPCZKVBMH-LLVKDONJSA-N	265.378	2.970	70	20	CFID	
C/C(=C/c1cccc(Cl)c1)C(=O)NC[C@H]1CCOC1	159875569	NEVHXZSXVPUIOD-LWMSPQMPSA-N	279.767	2.896	70	20	CFID	
CO[C@H](C(=O)N1C[C@H](C)Oc2ncccc21)c1ccccc1	159686319	ZLMAKROHPGVKCM-WFASDCNBSA-N	298.342	2.583	70	20	CFID	
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCCO1	159542106	GNMYRTNQYCPKLJ-CABCVRRESA-N	259.349	2.749	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)cc1	159547229	CVOBGUWNWNVEMR-XJKSGUPXSA-N	274.364	2.763	70	20	CFID	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)N[C@H]1CCOC1	159365007	CDXHEQUBVWMNOG-GWCFXTLKSA-N	282.771	2.831	70	20	CFID	
Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1Cl	159554397	UDSYKXOFIQMNLE-UHFFFAOYSA-N	276.723	2.897	70	20	CFID	
Cc1cccnc1C(=O)N[C@@H]1CCCc2cc(N)ccc21	159375832	LZJSAJRYPWXXTC-OAHLLOKOSA-N	281.359	2.780	70	20	CFID	
CCCN(CC)CCNC(=O)c1cc(O)ccc1Cl	218475398	IVJKICVQYZQNCY-UHFFFAOYSA-N	284.787	2.507	70	20	CFID	
CC[C@H](C)NC(=O)N[C@@H]1CCc2c(OC)cccc21	160278611	NJHOGBOTLNUTBW-GXFFZTMASA-N	262.353	2.780	70	20	CFID	
O=C(CCc1ccoc1)Nc1ccc(S(=O)(=O)F)cc1	187235538	PZQFNOFLLIWDNQ-UHFFFAOYSA-N	297.307	2.509	70	20	CFID	
CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864240986	GIYHAWAGEXLPLY-ZYHUDNBSSA-N	299.367	2.748	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)C[C@@H]1CCCN1	161416784	LQTUBUGQIOVKJZ-ZDUSSCGKSA-N	272.348	2.533	70	20	CFID	
CCN(CC)[C@@H](C)CNC(=O)[C@H](C)c1cccs1	160070878	FHGBWIRABUPSGO-NWDGAFQWSA-N	268.426	2.698	70	20	CFID	
C[C@H]1C[C@@H](NCCOc2ccc(F)cc2F)[C@H](C)CN1C	160078726	VEUBQSJRVYEBQD-TYNCELHUSA-N	298.377	2.662	70	20	CFID	
COCCCOCC(=O)O[C@@H](C)c1cc(C)ccc1OC	160116291	VMJXZAYSDVEGBZ-ZDUSSCGKSA-N	296.363	2.661	70	20	CFID	
CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccncc1	160251766	VBXGYGUEBPYLRO-GDBMZVCRSA-N	289.423	2.566	70	20	CFID	
CCC[C@@H](C)[C@@H](CC)N[C@@H]1CCc2nc(C)nn2C1	160468862	UMEGXYUYRPPMQN-MRVWCRGKSA-N	264.417	2.706	70	20	CFID	
CCc1ccc(/C=C/C(=O)Nc2cn(C)c(=O)cc2C)o1	160683503	VLAOYNDLQFBMEU-BQYQJAHWSA-N	286.331	2.501	70	20	CFID	
CCCCN(CC)Cc1noc(C2CCOCC2)n1	160762728	CDWLZPDLNIRCDV-UHFFFAOYSA-N	267.373	2.586	70	20	CFID	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)CCO1	160823018	WPGVAROKULLTNF-RWMBFGLXSA-N	279.405	2.797	70	20	CFID	
C[C@@H]1CCO[C@@H]1C(=O)N1CCSc2ccccc21	160840950	DWWIOQRPCWJJFI-MFKMUULPSA-N	263.362	2.550	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@H](Nc2ccccc2)C1	160866179	QMKCABOTECHINB-JKSUJKDBSA-N	288.391	2.659	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(O)nc1C	159817171	RDVQQHLEYDZVMB-DGCLKSJQSA-N	262.353	2.794	70	20	CFID	
O=C(C[C@H]1C=CCC1)N[C@H]1CCOC2(CCCC2)C1	159422179	YHCYQRYCUSOWPM-KBPBESRZSA-N	263.381	2.951	70	20	CFID	
CC(C)c1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)n[nH]1	159448617	AFKJBBOOKVMHGP-GFCCVEGCSA-N	291.395	2.755	70	20	CFID	
CCOCc1cccc(NC(=O)N[C@@H](COC)C2CC2)c1	159850623	WAKWDTLEVOFBAL-HNNXBMFYSA-N	292.379	2.770	70	20	CFID	
CCn1c(S[C@H](C)COC)nc2ccc(F)cc2c1=O	159594774	LKSLSVDHPMFHAN-SECBINFHSA-N	296.367	2.683	70	20	CFID	
CCN(CCC1CC1)C(=O)c1cccc(S(=O)(=O)F)c1	1120944612	RSKADLFHKNANKE-UHFFFAOYSA-N	299.367	2.607	70	20	CFID	
C[C@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1	161117566	CKVKMRBYHJSPGH-LBPRGKRZSA-N	299.378	2.746	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cc[nH]c2)o1	161203912	LBMACKOODLHWQD-ZDUSSCGKSA-N	274.320	2.731	70	20	CFID	
CSCCCC(=O)Nc1cc(C2CC2)nc(C)n1	160008724	HZKGARFEUTWKGG-UHFFFAOYSA-N	265.382	2.744	70	20	CFID	
NCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl	160016499	ZIKLCCZRQCBYAQ-MNOVXSKESA-N	287.190	2.562	70	20	CFID	
O=C(NCCCOCC1CC1)c1nc2ccccc2s1	160440582	NUJXIHLUUQEGPF-UHFFFAOYSA-N	290.388	2.843	70	20	CFID	
Cc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1Cl	160487740	AFYBVDHUMUOQDL-UHFFFAOYSA-N	299.783	2.789	70	20	CFID	
C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccco1	160947985	VWKXPCKAMKADOB-GFCCVEGCSA-N	293.388	2.675	70	20	CFID	
CN(CCC1CC1)C(=O)c1csc([C@H]2CCCO2)n1	160977318	ADJCKWZFFOAUAA-GFCCVEGCSA-N	280.393	2.867	70	20	CFID	
COc1ncc(N[C@@H](C)c2ccccc2C)cc1C(N)=O	159818412	HQOOJWMZXNSMRQ-NSHDSACASA-N	285.347	2.671	70	20	CFID	
COCCN(C)CCN[C@@H](C)c1cc(C)c(F)c(C)c1	159428004	OYXYOXUWAHPYQE-AWEZNQCLSA-N	282.403	2.671	70	20	CFID	
CC(C)(C)c1nsc(NCCCNC(=O)C2CCC2)n1	159832480	DEUYODHQQJJMTQ-UHFFFAOYSA-N	296.440	2.554	70	20	CFID	
O=C(CCOc1ccccc1)NCC1(C2CC2)CC1	159698527	UECNBFSQMOCJBU-UHFFFAOYSA-N	259.349	2.762	70	20	CFID	
COc1ccc(N(C)C(=O)CC[C@H]2CCOC2)cc1F	159522454	NMDDLZOZVBQNGS-NSHDSACASA-N	281.327	2.614	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cncn2)cc1	159742483	SRMICUOANSCWHV-SWLSCSKDSA-N	284.363	2.576	70	20	CFID	
CC[C@@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)OC	159499060	PLMFGWHOQXJJHM-LLVKDONJSA-N	291.269	2.991	70	20	CFID	
COc1cc(N[C@H](C)C(=O)NC(C)(C)C)ccc1F	160251909	MKCZUIAKRGLUST-SECBINFHSA-N	268.332	2.549	70	20	CFID	
CCN(CCCO)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	160501389	WJWGAOANLHFJRT-GHMZBOCLSA-N	281.318	2.586	70	20	CFID	
C[C@H]1SCCN(CCCN2CCCCC2)[C@@H]1C	161160341	MUSPACNTITXQCK-ZIAGYGMSSA-N	256.459	2.688	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)c1cccnc1	159909759	SYZXDTZYJQANDM-AWEZNQCLSA-N	268.316	2.508	70	20	CFID	
NC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCCCC1	161260347	DRTICUFCOFZUCA-MRXNPFEDSA-N	286.419	2.786	70	20	CFID	
CCOc1cc(Cl)ccc1NC(=O)C[C@@H]1CCCN1	161503389	WOGXARZSNWUASA-NSHDSACASA-N	282.771	2.819	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CCc2ccccc2CC1	160247621	WUNSBHYODCGBBP-GUYCJALGSA-N	285.387	2.619	70	20	CFID	
C[C@@H](CO)CNC(=O)C1(c2cccc(F)c2)CCCCC1	160507678	TYHUKFSEDRFKSF-CYBMUJFWSA-N	293.382	2.772	70	20	CFID	
CCCCN(Cc1ccc(CC)o1)[C@H]1CCS(=O)(=O)C1	160771820	FMOCPYRTXNQVLF-ZDUSSCGKSA-N	299.436	2.631	70	20	CFID	
O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CCSCC1	160815203	NEFQOVMXNROSNN-QWRGUYRKSA-N	283.343	2.644	70	20	CFID	
CCOC[C@H](O)CN[C@H](C)c1ccc(SCC)cc1	159637970	SWQAGQCJSGUYFA-TZMCWYRMSA-N	283.437	2.847	70	20	CFID	
Cc1nc(C)c(C(=O)N[C@H]2CCOC3(CCCC3)C2)o1	159652356	ZXIAZHYKJJCWTJ-LBPRGKRZSA-N	278.352	2.513	70	20	CFID	
COCC(C)(C)C(=O)NCCc1c(C)cccc1C	159864472	DFFKHLFNKBBBLC-UHFFFAOYSA-N	263.381	2.635	70	20	CFID	
COc1ccc(C(=O)Nc2ccnn2C(C)C)c(F)c1	218447030	OUPGRYMTCBEMAC-UHFFFAOYSA-N	277.299	2.864	70	20	CFID	
Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CCCC1	159440773	XBPAGWDELWSKJU-HNNXBMFYSA-N	273.380	2.888	70	20	CFID	
CN(CCOc1ccccc1Cl)[C@H]1CCCC[C@@H]1O	161079682	CLRCFLGDBSAQDT-KBPBESRZSA-N	283.799	2.954	70	20	CFID	
CC1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	161248179	OHEMXKJDOPRCQH-UHFFFAOYSA-N	287.281	2.692	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@H](C)Sc1ccccc1	161012105	WBPQFEZUMIAKAJ-STQMWFEESA-N	281.421	2.690	70	20	CFID	
CCCCCN1CCC([C@@H](O)C(F)(F)F)CC1	161198042	RFPMZRSDKCWERQ-LLVKDONJSA-N	253.308	2.812	70	20	CFID	
COc1ccc(NC(=O)[C@@H](C)c2c(C)noc2C)cc1N	161232042	GLHBEXSQXRZEKV-QMMMGPOBSA-N	289.335	2.624	70	20	CFID	
CCCCN(CCOC)C(=O)C[C@@H](C)c1ccncc1	160526313	DMTJBAJXBIJFDQ-CQSZACIVSA-N	278.396	2.850	70	20	CFID	
CCCCn1ncc(C(=O)NCCCC(C)(C)CO)c1C	160766965	AAKYEWMPIMQYLS-UHFFFAOYSA-N	295.427	2.520	70	20	CFID	
COCC(C)(C)C(=O)NCCCCOc1ccc(F)cc1	160927224	WAYVPYLAZREQBR-UHFFFAOYSA-N	297.370	2.774	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C[C@@H](C)c1ccc(F)cc1F	160983070	ACFJTBDPBAGWAO-DGCLKSJQSA-N	299.361	2.982	70	20	CFID	
CCS[C@@H]1CCC[C@@H](N[C@@H]2CCN(C)C[C@@H]2C)C1	159405880	IWIPOTOUORYIKL-GBJTYRQASA-N	270.486	2.981	70	20	CFID	
C[C@@H](NC(=O)C[C@@H]1CCCN1)c1ccc(F)cc1Cl	159630556	YNRQCVQSBDAMBF-KOLCDFICSA-N	284.762	2.798	70	20	CFID	
CCCCn1ncc(C(=O)NCC(C)(C)C[C@H](C)O)c1C	159692561	MVMZWIXBWMKAKW-LBPRGKRZSA-N	295.427	2.519	70	20	CFID	
C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC[C@H]1C	159778771	UHDPHFMQNPAVRL-MCIONIFRSA-N	293.411	2.570	70	20	CFID	
Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CCOC1	159393973	XFZKXJQVVGZGMO-JTQLQIEISA-N	288.269	2.924	70	20	CFID	
CC(C)[C@H](CNCc1ccn(C)n1)c1ccccc1	218094037	OYMYPXOTZLGYPK-INIZCTEOSA-N	257.381	2.950	70	20	CFID	
Cc1c(CN[C@H]2CCc3c(F)cccc32)cnn1C	161217962	NUMZPXPWXNWXBO-HNNXBMFYSA-N	259.328	2.645	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc2[nH]ccc2c1	160900118	PJZKAWPIMTUMRC-UHFFFAOYSA-N	267.332	2.779	70	20	CFID	
CC1(C)CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1338390012	NJCXHCYYIWSNSU-LBPRGKRZSA-N	299.367	2.653	70	20	CFID	
COc1ccc2cc(CS(=O)(=O)Cl)ccc2c1	309801745	XMVKOCQKDNKMAJ-UHFFFAOYSA-N	270.737	2.917	70	20	CFID	
COc1ccc(-c2noc([C@H]3CCC(=O)C[C@@H]3C)n2)cn1	161011418	LPUULOPFJXXWMA-CABZTGNLSA-N	287.319	2.613	70	20	CFID	
CCc1nnc([C@@H](C)N(CC)Cc2ccccn2)o1	161041076	QQXOGKHKMCTHDA-LLVKDONJSA-N	260.341	2.610	70	20	CFID	
COc1cc(F)c(C(=O)NCc2cccs2)cc1OC	161338136	YQDLCUKCVHDMPK-UHFFFAOYSA-N	295.335	2.834	70	20	CFID	
Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ncn1	161451526	YEAOJWIDSJZMDJ-HNNXBMFYSA-N	267.332	2.666	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)c2cc(C)sc2C)ncn1	161505960	PVEJRDQBZSSBPD-SNVBAGLBSA-N	275.377	2.954	70	20	CFID	
CCN(CC(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160247799	XGQSREWWAQVDMZ-UONOGXRCSA-N	268.401	2.632	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1ccccc1C	160358339	YHFNICGQONQLBT-UHFFFAOYSA-N	279.361	2.828	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@@H]1Cc1ccccc1	160605718	VMQKUSAGIYGEQA-HZPDHXFCSA-N	273.376	2.789	70	20	CFID	
COCc1cc(N[C@H]2CCCCC2(C)C)n2ncnc2n1	160707014	AEYQARDMEYLKCR-LBPRGKRZSA-N	289.383	2.651	70	20	CFID	
CC(=O)Nc1cc(C(=O)N(C)Cc2cccn2C)ccc1C	160788182	WGWGFIKFNAZBEB-UHFFFAOYSA-N	299.374	2.564	70	20	CFID	
O=C(C[C@H]1CCCN1)Nc1ccccc1CC(F)(F)F	160800171	ACVJADNZHAGXNN-LLVKDONJSA-N	286.297	2.872	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C(=O)OC)ccc1F	160800813	PXWSIBZHIZNMOX-BMIGLBTASA-N	279.311	2.987	70	20	CFID	
CC(C)(C(=O)Nc1nnc(C(F)(F)F)[nH]1)C1CCCC1	160814480	WPZRHAARFOJQRI-UHFFFAOYSA-N	290.289	2.978	70	20	CFID	
O=C(CC1CCC1)N[C@@H]1CCOC2(CCCC2)C1	159431553	AJEAMGZQRWSSOP-CYBMUJFWSA-N	251.370	2.785	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N1CCC[C@@](C)(O)C1	159642158	NLSLPPARLNSFGH-UKRRQHHQSA-N	270.417	2.759	70	20	CFID	
O=C(c1ccc(Cl)c(F)c1)N1CCOC[C@@H]1C1CC1	159483513	PWGQPTVVDHVOSY-CYBMUJFWSA-N	283.730	2.730	70	20	CFID	
O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCCO1	159542375	GNMYRTNQYCPKLJ-HUUCEWRRSA-N	259.349	2.749	70	20	CFID	
CC1(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CC1	159544303	KUJUFAAQKBQNPP-UHFFFAOYSA-N	290.344	2.806	70	20	CFID	
CCC[C@@H](O)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	159392710	HUMLNSPRJKKMDY-CABCVRRESA-N	293.407	2.820	70	20	CFID	
CCONC(=O)c1cc(NC(=O)C(C)C)ccc1Cl	159592471	PMEWAUTYARARTD-UHFFFAOYSA-N	284.743	2.616	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)NC(C)(C)C	160279603	UISCSYMLGWMSLF-GFCCVEGCSA-N	262.353	2.780	70	20	CFID	
CCC1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCCC1	864244218	OVCAGSXLPGJVAD-UHFFFAOYSA-N	299.367	2.797	70	20	CFID	
CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)F)c1	1516702023	SQSGWXHATUJRLX-UHFFFAOYSA-N	287.356	2.653	70	20	CFID	
COC[C@H](NC(=O)Nc1cccc(OCCF)c1)C1CC1	161008708	YIXRMGWTIOPYFT-AWEZNQCLSA-N	296.342	2.581	70	20	CFID	
C[C@]1(O)CCCN(C(=O)Nc2cc(F)ccc2Cl)C1	161137687	FLDRTIGCPLAKFP-ZDUSSCGKSA-N	286.734	2.858	70	20	CFID	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H](C)N	161415324	NYBZDQCZHCIBOV-GXFFZTMASA-N	298.814	2.899	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CC[C@H]1CCCO1	160226266	CAZRYOVJRDLPKJ-IUODEOHRSA-N	289.375	2.758	70	20	CFID	
Cc1cccc(CC(=O)N(C)Cc2cccn2C)c1	160392420	DLQIMRFYUPMEEH-UHFFFAOYSA-N	256.349	2.535	70	20	CFID	
CCC[C@@H]1C[C@H](C(=O)Nc2cccc(F)n2)CCO1	160543456	OIQVGQYNQYLCOE-GHMZBOCLSA-N	266.316	2.755	70	20	CFID	
CCc1nc(CN[C@H](C)[C@@H](C)c2ccccc2)n[nH]1	160563424	BICDJGAHAHBNRZ-VXGBXAGGSA-N	258.369	2.649	70	20	CFID	
CC(C)(O)CN[C@@H]1CCCOc2c(Cl)cccc21	160603080	NVFKHOBVXZFZTN-GFCCVEGCSA-N	269.772	2.914	70	20	CFID	
CC(C)N(C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160749544	KDMNHXQHFHEVAV-GJZGRUSLSA-N	276.380	2.957	70	20	CFID	
Cc1nc(CNC(=O)N2CCC3(CCC3)C2)cs1	159575319	AMOTUHQGOSOHTR-UHFFFAOYSA-N	265.382	2.537	70	20	CFID	
Cc1cc(C)cc(OCCCN(C)[C@@H](CN)C2CC2)c1	159977905	WIFRWEZMEBYWQG-KRWDZBQOSA-N	276.424	2.741	70	20	CFID	
CC(=O)N1CCC(NCc2cc(F)cc(Cl)c2)CC1	160884110	JQFXJESMPNNYBI-UHFFFAOYSA-N	284.762	2.580	70	20	CFID	
C[C@@H]1CCc2sc(C(=O)NC(C)(C)CCO)cc2C1	161500186	NHZPQCGNCNCHQU-SNVBAGLBSA-N	281.421	2.764	70	20	CFID	
CC[C@@H]1CCCC[C@H]1OCCCS(=O)(=O)Cl	112155139	IUXZOFOCTGNHEE-GHMZBOCLSA-N	268.806	2.931	70	20	CFID	
COc1ccccc1CN(CCn1ccnc1)C1CC1	159764067	DYMVBRPGHJVCFE-UHFFFAOYSA-N	271.364	2.556	70	20	CFID	
CN(C(=O)c1cccc(S(=O)(=O)F)c1)c1ccccc1	1339472588	QBHHKGQZCDPXNG-UHFFFAOYSA-N	293.319	2.621	70	20	CFID	
Cc1nc(COC(=O)CC2CCOCC2)c(C)s1	161459542	PNBHOHJNGNWGAG-UHFFFAOYSA-N	269.366	2.620	70	20	CFID	
C[C@@H](NC(=O)NCC1(C2CC2)CCC1)C(C)(C)CN(C)C	160030347	LDDDMYKQCRBQFS-CYBMUJFWSA-N	295.471	2.842	70	20	CFID	
CC(C)[C@@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1	160069770	DBVOIIUIFKQEIY-CQSZACIVSA-N	274.368	2.539	70	20	CFID	
CCCCn1ncc(C(=O)Nc2ccc(C)cn2)c1C	160090400	CCJAPPVHAZYYLT-UHFFFAOYSA-N	272.352	2.947	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(F)cc1Cl	160330063	OTSIXTFZZZANJZ-MRVPVSSYSA-N	287.718	2.551	70	20	CFID	
CCC1(CNC(=O)NCc2ncccc2F)CCCC1	160399324	CTDKFCSJMIQKSG-UHFFFAOYSA-N	279.359	2.990	70	20	CFID	
CCc1cc(NC(=O)N(CC2CC2)CC2CC2)n(C)n1	160422405	ZTJUDKSZRKBMEA-UHFFFAOYSA-N	276.384	2.636	70	20	CFID	
COCCOc1cccc(CC(=O)N2CCC[C@H](C)C2)c1	160924772	RYBWIMFJFDGTAP-AWEZNQCLSA-N	291.391	2.513	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cncnc1C	160931998	VRTPLVDRDUWLDK-OCCSQVGLSA-N	261.369	2.826	70	20	CFID	
CC(C)=C[C@H]1[C@H](C(=O)Nc2c[nH]c(=O)c(C)c2)C1(C)C	159614058	SRZMOCDEDBEDNG-QWHCGFSZSA-N	274.364	2.860	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCCNC1CCCCCC1	159671587	BCYKJMFRZODUPS-GDBMZVCRSA-N	266.429	2.851	70	20	CFID	
CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCCO2)cc1	159958943	QUUBFMJLPPCEKS-WFASDCNBSA-N	261.365	2.995	70	20	CFID	
Cc1cc(NC(=O)C(C)(C)c2cccc(F)c2)c[nH]c1=O	159374380	FCYKNSOUIZASKZ-UHFFFAOYSA-N	288.322	2.739	70	20	CFID	
Cn1c(CO)cnc1SC/C=C\c1ccccc1	218072504	XPLYRHMDHHHVIQ-YVMONPNESA-N	260.362	2.718	70	20	CFID	
Cc1ccccc1CCNC(=O)NCc1ccc(CO)cc1	217315745	XGFDVMKCZVXCHP-UHFFFAOYSA-N	298.386	2.529	70	20	CFID	
Cc1nccc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)n1	160867333	RNZKLYKKNXOYIK-XJKSGUPXSA-N	282.391	2.860	70	20	CFID	
CC(C)Cc1ccc(CCC(=O)NCCn2cccn2)cc1	161021168	CFIWKBJRURRJCJ-UHFFFAOYSA-N	299.418	2.831	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCc1cccc(OC)c1OC	161070383	OLSQQVZEBVEKSO-BLLLJJGKSA-N	277.364	2.756	70	20	CFID	
CC[C@H](Cc1ccccc1)N(C)C(=O)[C@H]1CC[C@H](N)C1	161105790	MSCGNGAHDTUDGS-HRCADAONSA-N	274.408	2.594	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)c1cc(=O)[nH]c2cc(F)ccc12	161477063	ANNXCXZHZPQZDS-AOOOYVTPSA-N	288.322	2.680	70	20	CFID	
C[C@@H](C(=O)NCCCOC[C@@H]1CCCO1)c1ccsc1	160039068	SFNIAFSOXZNRQJ-OCCSQVGLSA-N	297.420	2.554	70	20	CFID	
CCNC(=O)c1cccc(CN[C@@H](C)[C@@H](C)CC)c1	160160973	CQURXAOVJTTWHF-STQMWFEESA-N	262.397	2.961	70	20	CFID	
COc1cc(C)ccc1NC(=O)c1cnc2c(c1)ncn2C	160178830	WWRNWIWAYHVOEB-UHFFFAOYSA-N	296.330	2.538	70	20	CFID	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1	160199448	NBLJXZHRQCQUGC-JHJVBQTASA-N	299.201	2.657	70	20	CFID	
CCc1nnc(SCC(=O)CCC2CCCC2)[nH]1	160200561	VCNFIQVVJGREPD-UHFFFAOYSA-N	267.398	2.999	70	20	CFID	
CC(C)c1ccc(C(=O)NC[C@]2(C)CCCC[C@@H]2O)cn1	160221804	ZINATKPQJCWQQI-RDJZCZTQSA-N	290.407	2.876	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)NCc1ncccc1F	160235063	PFHUWQYPRYYDKK-ZYHUDNBSSA-N	265.332	2.599	70	20	CFID	
CC[C@H](C(=O)N[C@H](CC)COC)c1ccc(F)cc1	160279817	MAGSPHRCONUJES-KGLIPLIRSA-N	267.344	2.861	70	20	CFID	
CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1c(C)noc1C	160518812	KALMLJGNQSTSOP-AGIUHOORSA-N	262.353	2.905	70	20	CFID	
C[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2F)[C@H]1C	160708352	IEPYVOZSBRRZLO-QWRGUYRKSA-N	264.344	2.762	70	20	CFID	
C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(F)n2)O1	160718004	ONTYTMSRCROYJM-UWVGGRQHSA-N	252.289	2.507	70	20	CFID	
CC(C)c1cc(=O)n(Cc2cccc3cccnc23)cn1	160838611	CKTXCAUTZAIMSR-UHFFFAOYSA-N	279.343	2.963	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)C1CCCC1	159532391	NBZAJTMPHGDLMJ-CYBMUJFWSA-N	251.370	2.785	70	20	CFID	
Cc1noc(C)c1C(=O)NCCc1cc2ccccc2[nH]1	159583838	RNLNYRIEVCXCCV-UHFFFAOYSA-N	283.331	2.745	70	20	CFID	
CSC[C@H](C)NC(=O)Nc1ccnc(C)c1Cl	159997512	WPXYPIJKOGNYLE-ZETCQYMHSA-N	273.789	2.916	70	20	CFID	
CN(Cc1cccc(C(F)(F)F)c1)[C@H](CN)C1CC1	159741988	KPMUUNGTHUSDBV-CYBMUJFWSA-N	272.314	2.875	70	20	CFID	
CCC(=O)c1cccc(S(=O)(=O)N2CC=C(C)CC2)c1	160032842	GSJWPEPZCJFKRA-UHFFFAOYSA-N	293.388	2.620	70	20	CFID	
CCNc1nc(C(=O)N2[C@H](C)CC[C@H]2C)cs1	160406747	UPLONRUQIGUCOM-RKDXNWHRSA-N	253.371	2.588	70	20	CFID	
C[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460097075	YWUTXLIPHOYTCE-UWVGGRQHSA-N	285.340	2.720	70	20	CFID	
CCCCNC(=O)C(=O)Nc1sc(C)nc1CC(C)C	161020129	VNDUQDZGPGDMIU-UHFFFAOYSA-N	297.424	2.505	70	20	CFID	
COC[C@@H](O)CCNC(=O)CC1CCC(C(C)(C)C)CC1	161020373	CVDFABICNGBTFB-NRXISQOPSA-N	299.455	2.743	70	20	CFID	
O=c1onc(-c2cccnc2)n1C/C=C/c1ccccc1	161299194	ARNSVAZUWBBMQZ-VMPITWQZSA-N	279.299	2.612	70	20	CFID	
C[C@H](CCC(=O)NCc1ccc(O)nc1)c1ccccc1	160401705	FEOTVKVBIGZBFN-CYBMUJFWSA-N	284.359	2.987	70	20	CFID	
CCc1cnc(CNC(=O)C[C@H](C)c2ccncc2)s1	160778117	CYQIIHAXQMGMDU-NSHDSACASA-N	289.404	2.911	70	20	CFID	
CCCC1(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1	160828188	GQTBSKJNDOUVJQ-UHFFFAOYSA-N	298.427	2.986	70	20	CFID	
Cc1ccc(C(=O)N2CCc3c(F)cccc3C2)o1	160866793	HGGSKFNRINLJBR-UHFFFAOYSA-N	259.280	2.926	70	20	CFID	
O=C(CC1CCC1)Nc1cccn(CC(F)(F)F)c1=O	159691233	AMJHBNATOHMGOD-UHFFFAOYSA-N	288.269	2.539	70	20	CFID	
CC(C)(N)CNC(=O)COc1ccccc1-c1ccccc1	159949783	GCJOYKXROQLJLA-UHFFFAOYSA-N	298.386	2.586	70	20	CFID	
CCCCc1noc([C@H](C)Nc2cc(C)n(C)n2)n1	159562478	UATIDQZRTNKQKK-JTQLQIEISA-N	263.345	2.627	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)c2cnsn2)C1	159563566	YCXLWTQKHVIMQX-VIFPVBQESA-N	291.401	2.927	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(C)cc1OC	159768847	XDDSZEBEGBIVPP-LLVKDONJSA-N	251.326	2.757	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)Cc1cccc(C(=O)OC)c1	159782303	WMXCYDDGHDBMFV-RYUDHWBXSA-N	277.364	2.567	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H](N)C2)cc1	159935211	IYHZJZNIODILES-BPLDGKMQSA-N	260.381	2.690	70	20	CFID	
CC1(C)CC[C@@H](COC(=O)c2ccc(N)c(F)c2)O1	160788024	AMJBEEISXQMVHT-JTQLQIEISA-N	267.300	2.522	70	20	CFID	
CCNC(=O)CNCC(c1ccccc1)c1ccccc1	218590619	RUULBQZVNDSPPT-UHFFFAOYSA-N	282.387	2.544	70	20	CFID	
CC1=CCN(C(=O)c2ccc(Br)cn2)CC1	160177931	YRFJDPLZTASZRS-UHFFFAOYSA-N	281.153	2.636	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1262732855	WZYWFLOJKANVFM-UWVGGRQHSA-N	287.356	2.509	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)C[C@@H](C)c1cccc(F)c1	161236803	CVZCJKATPCTSRH-DOMZBBRYSA-N	278.371	2.530	70	20	CFID	
Cc1nn(C)cc1C(=O)N[C@@H]1CCCc2sccc21	160035441	IOQDEKSTUBFFBQ-GFCCVEGCSA-N	275.377	2.597	70	20	CFID	
CN1CCC(Oc2ccc(NCc3ccccn3)cn2)CC1	160153917	KJXQEFMBWNAUIM-UHFFFAOYSA-N	298.390	2.562	70	20	CFID	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(N)=O	160282624	KSWLHZCHFUOMPH-JTQLQIEISA-N	284.791	2.717	70	20	CFID	
CCCCNc1ccccc1C(=O)NCCCC(=O)OC	160335255	NAOCVGXFSDACTE-UHFFFAOYSA-N	292.379	2.582	70	20	CFID	
CCN(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CCCC1	160584674	ASUKZUMTOXLQNZ-UKRRQHHQSA-N	280.412	2.918	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NCc2nccs2)on1	160745217	UOSYOZCPTXQAKY-MRVPVSSYSA-N	265.338	2.575	70	20	CFID	
CC[C@@H](C(=O)Nc1cc(C)ccc1Cl)N(C)C	160780747	OAYTUEZIOWLCKD-LBPRGKRZSA-N	254.761	2.927	70	20	CFID	
Cc1nc(SCc2nnc(C)n2C)c2ccccc2n1	160923583	RGIDYOLJJHINFY-UHFFFAOYSA-N	285.376	2.667	70	20	CFID	
O=C(CCCn1ccnc1)N[C@H]1CCCc2sccc21	159839991	AGWNJNQLIREKIA-ZDUSSCGKSA-N	289.404	2.919	70	20	CFID	
Cc1cn(-c2ccccc2)nc1NC(=O)Nc1ccn(C)n1	159863043	MLWTUVUAWSYEBH-UHFFFAOYSA-N	296.334	2.558	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2ccccc2n1	159675280	OLRRXTZKPQAXCM-OCCSQVGLSA-N	271.364	2.572	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCCc3sccc32)[nH]n1	159997146	OHUUOOXPNDCHJY-SNVBAGLBSA-N	261.350	2.587	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1csc2ccccc12	217908839	IIGDAPQPEQLPLI-ZWNOBZJWSA-N	275.373	2.792	70	20	CFID	
C[C@@H](NC(=O)[C@H]1CCCC[C@H]1N)c1ccc(F)cc1	159872141	JQMXYCBRHULEFE-DDTOSNHZSA-N	264.344	2.520	70	20	CFID	
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C1CCC1	460096319	XACIIJJTKVGVQZ-SECBINFHSA-N	285.340	2.720	70	20	CFID	
COC(=O)c1csc(NC(=O)N(C)[C@@H](C)C2CC2)c1	160687893	BYAYHWDRIOMSEO-QMMMGPOBSA-N	282.365	2.797	70	20	CFID	
CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCCO1	161069926	JEWLANQZRFEZEW-LBPRGKRZSA-N	290.388	2.824	70	20	CFID	
COCCCC(=O)N1CCC[C@@H]1c1ccc(COC)o1	161294637	MSQCABOIHNFQAX-CYBMUJFWSA-N	281.352	2.516	70	20	CFID	
Cc1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)n(C)n1	161364973	FXUUFSLLRSLPLB-UHFFFAOYSA-N	299.334	2.581	70	20	CFID	
CC[C@H](C)N(C(=O)CCCC(=O)OC)[C@@H](C)CC	160134731	UVLOUPRLYXWATF-RYUDHWBXSA-N	257.374	2.755	70	20	CFID	
CC[C@H](COC)NS(=O)(=O)c1ccc([C@H](C)CC)cc1	160320188	XFOZTPYUJQMYFV-TZMCWYRMSA-N	299.436	2.903	70	20	CFID	
CCc1nc(CNC2(c3cccc(Cl)c3)CC2)n[nH]1	160456229	KVRSIQZDIRIEDQ-UHFFFAOYSA-N	276.771	2.799	70	20	CFID	
Cc1nc(C)c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)o1	160547524	UQOFFXSNBPTOQC-ZDUSSCGKSA-N	292.379	2.903	70	20	CFID	
CCN(C)Cc1cccc(CNC(=O)[C@@H]2CC2(C)C)c1	160595993	IQPWZKZTBHYFAS-HNNXBMFYSA-N	274.408	2.801	70	20	CFID	
CCCC1(CNC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1	160748911	IRUNPWRZAAFLMW-UHFFFAOYSA-N	292.379	2.728	70	20	CFID	
CC(C)(CCC(=O)N1CCC(CO)CC1)c1ccccc1	160885521	MCFUAFSVRRPRMA-UHFFFAOYSA-N	289.419	2.975	70	20	CFID	
Cc1ccc(OCCCC(=O)Nc2ccn(C)n2)c(C)c1	159452260	GIWQULPELKQWKT-UHFFFAOYSA-N	287.363	2.835	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCO[C@H](CC)C2)c1C	159682422	CEIAKARQMDHHQS-CYBMUJFWSA-N	294.399	2.634	70	20	CFID	
NC(=O)c1cccc(CNCCc2ccc(Cl)s2)c1	218153658	YIBAPJUCKPUORX-UHFFFAOYSA-N	294.807	2.833	70	20	CFID	
CCCN(CC)CCN[C@H](C)Cc1ccc(O)cc1	217659525	UGOSUWWEYGIGLK-CQSZACIVSA-N	264.413	2.645	70	20	CFID	
CC(C)(C)C[C@H](O)CNc1ncnc2c1CCCC2	217805916	VTWHQLTWYDKORR-NSHDSACASA-N	263.385	2.564	70	20	CFID	
FC(F)(F)c1nnc(NCCCCn2ccnc2)s1	160186665	MVGPWRAIUHQFOU-UHFFFAOYSA-N	291.302	2.646	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)c1ccc(O)cc1O	160395191	UEFPNYOLPFJCKZ-LBPRGKRZSA-N	289.356	2.967	70	20	CFID	
CC(C)CCC(=O)Nc1ccc(S(=O)(=O)F)cc1	185110852	XYJWVXDNNXHCJJ-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
O=S(=O)(Cl)C[C@H](F)c1ccc(F)cc1F	1537958570	CPVGLWABMOZXAU-QMMMGPOBSA-N	258.648	2.544	70	20	CFID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H](C)c2cnn(C)c2)C1	161017296	FCWBPRUTWPYIRH-LSDHHAIUSA-N	292.471	2.971	70	20	CFID	
Cc1cnccc1CCNC(=O)NCC1(C)CCCC1	161018685	XKJPCBIIMVNCSQ-UHFFFAOYSA-N	275.396	2.812	70	20	CFID	
CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)Sc1ccccc1	161119619	ANVNWRITSIYBPL-BZPMIXESSA-N	280.437	2.657	70	20	CFID	
C[C@@H](NCCc1ccc2c(c1)OCO2)c1cncs1	161123449	GTGMTPCFFZKMTK-SNVBAGLBSA-N	276.361	2.765	70	20	CFID	
CC(C)c1cc(CNC(=O)NC2(C)CCC2)on1	161253994	IRDOKKQRJBEPET-UHFFFAOYSA-N	251.330	2.540	70	20	CFID	
CN(CCc1nccs1)C(=O)Nc1cccnc1Cl	161268480	JPXPURURJUEDSY-UHFFFAOYSA-N	296.783	2.898	70	20	CFID	
CCCn1nc(C)c(C(=O)NCc2cccs2)c1C	161338258	XQORZOINACYTKB-UHFFFAOYSA-N	277.393	2.901	70	20	CFID	
CCN(CC)C[C@@H](C)Nc1nnc(C(F)(F)F)s1	160165272	UDRUGSOEKUSINK-SSDOTTSWSA-N	282.335	2.699	70	20	CFID	
CCOC(=O)[C@H](C)Sc1nncc2ccccc12	160237793	VRPAAWSAYHIKFH-VIFPVBQESA-N	262.334	2.674	70	20	CFID	
CN(C)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1	160369443	NBTABWWHVBXEMW-CYBMUJFWSA-N	266.429	2.613	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCc1ccncc1	160523401	RDOIQCVHIFBSMC-UHFFFAOYSA-N	272.352	2.569	70	20	CFID	
CCCC1(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)CC1	160575799	WCONMQORAYELNV-CQSZACIVSA-N	277.339	2.826	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Cl)c(C)c1	160633874	WPFRHCWRXAUHBP-SNVBAGLBSA-N	283.755	2.720	70	20	CFID	
CCOc1ccc(N[C@H](C)CCn2cccn2)cc1CO	159423905	PYXZIQXICATTFV-CYBMUJFWSA-N	289.379	2.665	70	20	CFID	
NCCCC(=O)NCC1(Sc2ccccc2)CCCC1	159675383	YNZIFMZQEAIRMI-UHFFFAOYSA-N	292.448	2.947	70	20	CFID	
Cc1cccc(C2(C(=O)NC[C@@H](O)C(C)C)CCCC2)c1	159726922	OUTWTJBCZJHBEJ-MRXNPFEDSA-N	289.419	2.940	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H](C)CSC	159939702	OWEFEYKKKCWAAE-ZWNOBZJWSA-N	279.405	2.798	70	20	CFID	
Cc1cc(C)n(CCCNC(=O)N2CC[C@H](C)[C@H](C)C2)n1	159750720	SHXIWJXNDRKVCB-QWHCGFSZSA-N	292.427	2.578	70	20	CFID	
C[C@@H]1C[C@H](N[C@H](C)CN2CCOCC2)CC(C)(C)C1	218011501	KJWMZGVXXAOIEO-KFWWJZLASA-N	268.445	2.512	70	20	CFID	
c1cc(CNC[C@@H]2CCN(C3CC3)C2)c2[nH]ccc2c1	218104236	MWKSVXGQTJFVLH-ZDUSSCGKSA-N	269.392	2.742	70	20	CFID	
c1ccc(N2CCC(NCc3nccs3)CC2)cc1	218127241	HQYPMOIDOICCBE-UHFFFAOYSA-N	273.405	2.902	70	20	CFID	
CCO[C@H]1CCCN(C[C@@H](O)c2ccc(C)cc2)C1	216982449	SZYZNSCKTSSJJB-JKSUJKDBSA-N	263.381	2.529	70	20	CFID	
Cc1cccc(C(=O)NCC2(N)CCCCC2)c1C	159505479	FBKKGAFCOSGZQL-UHFFFAOYSA-N	260.381	2.695	70	20	CFID	
CCCc1cc(C(=O)N2CCC[C@H]2CNC)sc1C	161249893	HAVFTKNYVARESB-ZDUSSCGKSA-N	280.437	2.833	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160372979	RBXCIQFAHYVFDQ-OLZOCXBDSA-N	268.401	2.822	70	20	CFID	
COCC[C@@H](C)NC[C@@H](C)COCc1ccccc1	161309261	GKMDJAPCHCUZLS-HUUCEWRRSA-N	265.397	2.854	70	20	CFID	
CC[C@@H](COC)NC[C@H](C)COCc1ccccc1	161310651	OBMARFSISPPUMQ-HOCLYGCPSA-N	265.397	2.854	70	20	CFID	
CC(C)c1cccc2c1N(CCS(=O)(=O)F)CCC2	883954437	NKIKZNPFTOSNMQ-UHFFFAOYSA-N	285.384	2.862	70	20	CFID	
COCCCN(C)c1ncc(Cl)cc1Br	159798207	LQIWNTZAVBOVSF-UHFFFAOYSA-N	293.592	2.970	70	20	CFID	
COCC(C)(C)NC(=O)Nc1cnn(CCC(C)C)c1C	161306070	KSOMIASWZOGEFG-UHFFFAOYSA-N	296.415	2.784	70	20	CFID	
COc1ccc([C@@H](NC(=O)c2cc(C)ncn2)C2CC2)cc1	161463365	KQUQUZDCCNQZRD-INIZCTEOSA-N	297.358	2.675	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)N2CCN(C3CCCC3)CC2)C1	160009641	YUMXGHGATNMQQY-LSDHHAIUSA-N	278.440	2.900	70	20	CFID	
C[C@H](NC(=O)NCC(F)(F)F)c1cccc(F)c1F	160045482	OHDUOQNLZYRLCI-LURJTMIESA-N	282.212	2.887	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1	160091476	IVDNANXYEUGCRB-YLQAJVPDSA-N	298.390	2.881	70	20	CFID	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc3[nH]cnc3c1)CO2	160132039	DEWCTPFDLXMHME-HNNXBMFYSA-N	293.326	2.735	70	20	CFID	
CCCC[C@H](C)NC1CCN(C(=O)c2ccncc2)CC1	160219301	HKOCXXXBMCKFSH-AWEZNQCLSA-N	289.423	2.855	70	20	CFID	
CCOc1cccc(C(=O)NCCc2cccc(O)c2)c1	160237142	KESROVNLLYRSOA-UHFFFAOYSA-N	285.343	2.763	70	20	CFID	
Cc1ocnc1C(=O)O[C@@H](c1ccccn1)C(F)(F)F	160351358	QOKPKIMORMGNBQ-JTQLQIEISA-N	286.209	2.838	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2	160580135	YGRXEUWFJVUXDQ-MIGQKNRLSA-N	290.455	2.952	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc(Br)cn1	160640021	HWRPZFKCFPOIGB-SSDOTTSWSA-N	289.198	2.924	70	20	CFID	
O=C(CC(F)(F)F)N[C@H]1CCOC2(CCCCC2)C1	160655653	IKLLRCQFQRRUJI-JTQLQIEISA-N	279.302	2.937	70	20	CFID	
COC[C@H](C)SCc1ccc(C(=O)OC)s1	159818428	UKKJVMQMEUDLQF-QMMMGPOBSA-N	260.380	2.803	70	20	CFID	
CCOC(=O)C1(C(=O)N2CC[C@@H](CC(C)C)C2)CCC1	159438346	LITFNZRMFXQJDJ-ZDUSSCGKSA-N	281.396	2.614	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1	159724675	FNAALFJOHLWTIF-APIJFGDWSA-N	283.412	2.656	70	20	CFID	
CC(=O)N1CC[C@@H](NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1	159532496	AFCQQKHSSVVZHU-NWANDNLSSA-N	294.439	2.576	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C(C)C	159596908	QJDQYFWSHDUCDD-UONOGXRCSA-N	269.433	2.547	70	20	CFID	
O=C1C[C@@H]2CC[C@H](C1)N2Cc1cccc2cccnc12	159568583	MIYAKNANXANNBS-GASCZTMLSA-N	266.344	2.931	70	20	CFID	
CCCc1nc(CN(C)C[C@H]2CCC[C@@H]2O)cs1	159665768	DIIAMKYEIIDDGV-YPMHNXCESA-N	268.426	2.688	70	20	CFID	
CCc1nn(C)cc1CNc1nc(C(C)(C)C)ns1	159734359	DRCJLLMRHNNCCQ-UHFFFAOYSA-N	279.413	2.744	70	20	CFID	
CCc1ccc(CCC(=O)N2CCC(C)(O)CC2)cc1	161267780	RRDDBNUKSUQKAF-UHFFFAOYSA-N	275.392	2.555	70	20	CFID	
CCN(CC)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	159848721	MMDAROKOPLTGSQ-ZBFHGGJFSA-N	289.423	2.701	70	20	CFID	
C[C@H](Nc1nc(C(C)(C)C)ns1)C(=O)OC(C)(C)C	160253696	RMBCZATWINPNSE-QMMMGPOBSA-N	285.413	2.978	70	20	CFID	
O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)F)cc1	864239049	UIJLKAXUCDBBNP-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)F)c1	1337667335	NYWIAHWJFGOPGJ-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1337667782	ZYVGAQOFMZDEAM-ZWNOBZJWSA-N	299.367	2.653	70	20	CFID	
O=S(=O)(Cl)c1ccccc1N1CCCCC1	218360195	FLHLIIPMJSLEMP-UHFFFAOYSA-N	259.758	2.604	70	20	CFID	
CCCCN(CCO)C(=O)Nc1ccn(CCC(C)C)n1	161006899	JIYLWMBLLJGFLM-UHFFFAOYSA-N	296.415	2.556	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)Cc1c(C)noc1Cl	161062927	QAZZMLVQYBOZON-SFYZADRCSA-N	258.749	2.730	70	20	CFID	
CCNCC1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1	161095511	RILQLLWBFDEBCY-DZGCQCFKSA-N	266.429	2.661	70	20	CFID	
CC(=O)NC1CCC(NCCC2CCCCC2)CC1	161255945	LUFGGPJFTZCRKD-UHFFFAOYSA-N	266.429	2.994	70	20	CFID	
O=C(C=C1CCC1)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	161474846	JILFSPCLSARNBD-ZMSDIMECSA-N	253.345	2.799	70	20	CFID	
CCOCCC1(C(=O)N(C)CCC(F)(F)F)CCC1	160028777	BXTHAXXQICABIS-UHFFFAOYSA-N	281.318	2.994	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@@H](C)c1ccc(F)cc1	160417782	PBUDIIOAYSVHNI-GFCCVEGCSA-N	280.387	2.953	70	20	CFID	
C[C@H](NC(=O)NCC1(C2CC2)CCC1)C1CCOCC1	160460349	FWYWLVYHZROIGZ-LBPRGKRZSA-N	280.412	2.681	70	20	CFID	
C[C@@H](CO)N(C)C(=O)CCc1ccc(C(C)(C)C)cc1	160560900	ZPSKEWVDXRNQHR-ZDUSSCGKSA-N	277.408	2.756	70	20	CFID	
C[C@H](Sc1ccccc1Cl)C(=O)N(C)[C@@H](C)CO	160581011	GHKDUCALACJBOW-UWVGGRQHSA-N	287.812	2.660	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCCN2CCC[C@H](C)C2)C1	160587387	DDTYMFRWJHNQQV-KKUMJFAQSA-N	266.429	2.661	70	20	CFID	
CC1(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CCCCC1	160594909	JDNURWNKJKFEAR-ZIAGYGMSSA-N	280.412	2.966	70	20	CFID	
CN[C@H]1CCN(C(=O)c2cc(C(C)C)nc3ccccc23)C1	160783635	SLIAJWPFILQZRP-ZDUSSCGKSA-N	297.402	2.792	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1	160810692	YCQBMCVKOYFROK-AEFFLSMTSA-N	297.402	2.967	70	20	CFID	
Cn1cnnc1CN1CCC[C@H]1Cc1ccccc1Cl	160839410	ORHQHHZSDAXMOM-ZDUSSCGKSA-N	290.798	2.676	70	20	CFID	
COC[C@@H](NC(=O)c1cc(F)cc2cccnc12)C1CC1	159617680	PKYHUUBBOQBWIJ-CQSZACIVSA-N	288.322	2.529	70	20	CFID	
CN(Cc1cc(F)cc2cccnc12)C[C@H]1CCC[C@@H]1O	159842148	YNTWOIABUVDHCC-CJNGLKHVSA-N	288.366	2.967	70	20	CFID	
COc1ccc(N(C)C(=O)CC2CCOCC2)cc1F	159761262	HMQSJTDMJIGDQI-UHFFFAOYSA-N	281.327	2.614	70	20	CFID	
O=C(NCC1(CO)CCCC1)[C@H]1CSc2ccccc21	160303707	WMGQUDOXHMBMFF-ZDUSSCGKSA-N	291.416	2.545	70	20	CFID	
CC[C@@]1(C(=O)N[C@@H](C)c2cccc(C)c2)CCNC1	160315253	ZHXBOABELMBJNR-XJKSGUPXSA-N	260.381	2.562	70	20	CFID	
CCN(CCCO)C(=O)C1(c2cccc(C)c2)CCC1	160448809	RXQGVQZDSDQNPL-UHFFFAOYSA-N	275.392	2.648	70	20	CFID	
COCC[C@H](C)Nc1ccncc1Br	159852515	WSJSQYHQQXNKFU-QMMMGPOBSA-N	259.147	2.681	70	20	CFID	
CC(=O)Nc1nc(CN(C)OCc2ccccc2)cs1	159637166	XYKQRTKTEWZMGU-UHFFFAOYSA-N	291.376	2.665	70	20	CFID	
Cc1ccc(OC(F)F)c(S(=O)(=O)Cl)c1	106114787	NGNXCOJOUAPUIF-UHFFFAOYSA-N	256.657	2.524	70	20	CFID	
C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H](C)N	218302465	PDWUBLPQWIGEEV-ZJUUUORDSA-N	260.303	2.573	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCCO3)c2C)o1	161091534	OIIZJUKXADGQQR-LBPRGKRZSA-N	289.335	2.794	70	20	CFID	
NCCCOC1CCN(Cc2coc3ccccc23)CC1	161118211	QXMSVMMQGIKXJD-UHFFFAOYSA-N	288.391	2.763	70	20	CFID	
CC(C)CC[C@H](C)NC(=O)N[C@H](CCO)C(C)(C)C	161160586	BOCLHGHMQXDCTA-QWHCGFSZSA-N	272.433	2.907	70	20	CFID	
Cc1ccccc1CN(C)C(=O)c1cnc2c(c1)ncn2C	160003834	DHINZZFGYXYAKJ-UHFFFAOYSA-N	294.358	2.549	70	20	CFID	
O=C(Oc1ccc(Cl)cc1F)[C@H]1CCCCO1	160031153	ZYEWHCWSGZXQPS-LLVKDONJSA-N	258.676	2.954	70	20	CFID	
Cn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1	160322976	QSKWTZZVBBSNOY-UHFFFAOYSA-N	299.421	2.580	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccsc3)[nH]2)o1	160417173	VGUPKVLMYGQLIU-UHFFFAOYSA-N	274.305	2.687	70	20	CFID	
CCCC1(CNC(=O)Cc2n[nH]c3ccccc23)CC1	160729126	DJBMVNXVEFNOTP-UHFFFAOYSA-N	271.364	2.802	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2cccn2C)c(C)s1	160766816	NFEOROIPKAZWRD-UHFFFAOYSA-N	262.378	2.976	70	20	CFID	
CC(C)OC(=O)[C@H](C)CNC(=O)C1CCC(C)(C)CC1	160776112	SSOPWLFKDCNMEU-GFCCVEGCSA-N	283.412	2.907	70	20	CFID	
CCCOc1cccc(CC(=O)N[C@H](C)C2CC2)c1	160778963	FLUQXQGLMJREHH-GFCCVEGCSA-N	261.365	2.933	70	20	CFID	
C[C@H]1CCC[C@H](CNC(=O)c2cccc3[nH]c(=O)oc23)C1	160781325	NCUIFAHYCAQREU-QWRGUYRKSA-N	288.347	2.677	70	20	CFID	
CCCCCOc1c(OC)cccc1C(=O)N(C)C	159619698	UCHURZMFFJSZGZ-UHFFFAOYSA-N	265.353	2.966	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N(C)Cc2ccncc2)on1	159522542	CRORWPLRGLXGRM-LLVKDONJSA-N	273.336	2.855	70	20	CFID	
CN(Cc1ccsc1)C(=O)c1cccc(-n2ccnn2)c1	159744126	RIYFZXSMSIQGJG-UHFFFAOYSA-N	298.371	2.601	70	20	CFID	
CN(C)CCC1CCN(CCCN2CCCCC2)CC1	160665018	CKZIIIQKLGMYHN-UHFFFAOYSA-N	281.488	2.526	70	20	CFID	
CCOc1ccc(NC(=O)C(F)F)cc1OCC	217663702	JAMDKFVXWACXIR-UHFFFAOYSA-N	259.252	2.688	70	20	CFID	
CCCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1515313727	IYPGIXCSNFZYIB-UHFFFAOYSA-N	293.747	2.528	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCCC[C@H]2C)c1	161041218	BQSWOOWUHFZSCX-SECBINFHSA-N	282.365	2.941	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccnc1Cl	161424836	CIMOZJCUEKBEJS-LLVKDONJSA-N	294.782	2.957	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1C[C@H]2CCCC[C@@H]2C1	160045890	UHHBMBXFNWJJND-ZIAGYGMSSA-N	296.411	2.550	70	20	CFID	
CCCn1nccc1CNc1cccc(OCCOC)c1	160099323	CCQNTVUDYDJEQW-UHFFFAOYSA-N	289.379	2.930	70	20	CFID	
O=C(COCC(F)(F)F)N[C@H]1CCCc2sccc21	160113276	FPNYXGBVJKQEPM-VIFPVBQESA-N	293.310	2.821	70	20	CFID	
O=C(Nc1cc(F)c(F)cc1F)NC1CC=CC1	160189331	WMODUEMMGOAWFG-UHFFFAOYSA-N	256.227	2.944	70	20	CFID	
CC[C@H](NCCN1CCC(N(C)C)CC1)c1cccs1	160207332	ZIKMHMMRDLNBTH-HNNXBMFYSA-N	295.496	2.815	70	20	CFID	
O=C(NC[C@H]1CC=CCC1)c1ccnc(OCC(F)F)c1	160702263	ORJYYNSZZZMTQM-NSHDSACASA-N	296.317	2.812	70	20	CFID	
COc1cc(CC(=O)NCC2(C3CC3)CC2)ccc1C	159821092	GREAOIGQKNCWBB-UHFFFAOYSA-N	273.376	2.853	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCC[C@H](N)C2)cc1	159657240	RMFCKQAYUQMTAD-IMJJTQAJSA-N	274.408	2.732	70	20	CFID	
C[C@@H]1CCN(S(=O)(=O)c2cccs2)C[C@H](C)C1	159721828	HMKRQWJOPWLSJJ-GHMZBOCLSA-N	273.423	2.805	70	20	CFID	
NC(=O)[C@H](NCCC1Cc2ccccc2C1)c1ccccc1	159734696	XLOQIEADZFQMPW-GOSISDBHSA-N	294.398	2.608	70	20	CFID	
CC(C)N1CC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)C1=O	159543506	XUNMKYKPQAKHTN-HZPDHXFCSA-N	290.382	2.802	70	20	CFID	
CCOCCN(CC)CC1CCN(C(=O)C(C)(C)C)CC1	159555250	MZLRVPQSQNXTIA-UHFFFAOYSA-N	298.471	2.630	70	20	CFID	
C[C@H](NC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1F	159973890	XDNBERMKGCZURW-ZANVPECISA-N	269.291	2.711	70	20	CFID	
COc1cc2c(cc1OC)CN(Cc1cccnc1C)CC2	159782532	HAMSYYGTJWQKOC-UHFFFAOYSA-N	298.386	2.966	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cccc2c1NCCC2	217765982	JDHKBUPUPHKXGO-CQSZACIVSA-N	275.440	2.865	70	20	CFID	
C[C@@H](c1ccccc1F)N(C)CCCCS(C)(=O)=O	161490160	JYMDWDXNQQXUMI-LBPRGKRZSA-N	287.400	2.643	70	20	CFID	
CC[C@H]1CCCN(C[C@@H](O)c2cc(OC)ccc2OC)C1	217017925	SCGWZIZVNWYMON-XJKSGUPXSA-N	293.407	2.859	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)NCC[C@H](O)C(C)C	159462053	AJYSUTSILASIRG-ZDUSSCGKSA-N	269.772	2.785	70	20	CFID	
CC(C)N(CC1CC1)C(=O)c1ccc(S(=O)(=O)F)cc1	864238490	MFFGIQSRSRYHLL-UHFFFAOYSA-N	299.367	2.605	70	20	CFID	
Cn1c(SCC(F)(F)F)nnc1-c1ccccn1	159571059	TXMUMLHYNXUXNP-UHFFFAOYSA-N	274.271	2.532	70	20	CFID	
CCONC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C	161202040	CMOASYBHZCFHGL-GFCCVEGCSA-N	276.340	2.511	70	20	CFID	
CCCN(CCO)Cc1c[nH]nc1-c1cccc(Cl)c1	161220289	AOPUNDDEZIILHG-UHFFFAOYSA-N	293.798	2.934	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)Cc1cnn(C)c1	161314774	PYYXFXVNUHFIBO-QWHCGFSZSA-N	289.404	2.552	70	20	CFID	
CCCc1nc(CS[C@@H](C)C(=O)OC(C)(C)C)no1	161326373	GUVCWZFSXVXYKW-VIFPVBQESA-N	286.397	2.986	70	20	CFID	
COCc1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)cc1	160268370	QZQQVCGVXLVVGQ-UHFFFAOYSA-N	299.326	2.838	70	20	CFID	
CC(C)(C)c1nc(N[C@@H]2CCO[C@H](C3CC3)C2)no1	160339152	VSELNBOJMVRCRJ-MNOVXSKESA-N	265.357	2.737	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cccc(F)c1	160541070	MKFHFYVIENWRID-OAHLLOKOSA-N	278.371	2.676	70	20	CFID	
CC[C@@H](NC(=O)[C@@H]1CC[C@H](N)C1)C(C)(C)c1ccccc1	160760975	SMWVATUGSWCXSS-VNQPRFMTSA-N	288.435	2.986	70	20	CFID	
CCC(C)(C)NC(=O)Nc1cc(C(=O)OC)cs1	160785429	GBFMBIZCDUAQBF-UHFFFAOYSA-N	270.354	2.845	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N1CCCc2cc(F)ccc21	159846211	VFKJMBFJWNHPQT-NSHDSACASA-N	285.384	2.954	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)c1ccccn1	160071426	MJUSLIMYCBAGCU-LLVKDONJSA-N	258.346	2.951	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cccc(F)c1F	160895764	HCWOZFWDSGLHOO-UHFFFAOYSA-N	264.275	2.576	70	20	CFID	
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864238113	FBKOZMRHUUUXRY-ZWNOBZJWSA-N	299.367	2.653	70	20	CFID	
CC(C)OCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160418089	CCQBFVQBASRANG-CQSZACIVSA-N	283.412	2.800	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ccc(C)cn1	161068990	QJQOSMOFQFOUSZ-GOSISDBHSA-N	264.350	2.557	70	20	CFID	
CCCn1c(C)nnc1CN(C)Cc1cc(Cl)cn1C	161221274	VKVWQPUYPTUAKD-UHFFFAOYSA-N	295.818	2.620	70	20	CFID	
COc1ccc(NC(=O)C2[C@@H]3[C@@H]4CC[C@H](C4)[C@@H]23)cc1N	161250056	FMCQOIUKFAYREN-HFOBELJZSA-N	272.348	2.508	70	20	CFID	
CC1(NC(=O)NCCCCCN2CCCCC2)CCC1	161411139	ZPWSBBQOIAJQLB-UHFFFAOYSA-N	281.444	2.884	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC[C@H](O)CN1CCC(C)CC1	161423676	CLNQCFCPXZOYGL-IKGGRYGDSA-N	282.472	2.638	70	20	CFID	
CO[C@H](C)c1noc(CSCCc2c(C)noc2C)n1	160150399	FIDNRGAGPOVYMD-SNVBAGLBSA-N	297.380	2.858	70	20	CFID	
Cc1ccc2c(c1)N(C(=O)N[C@H]1CCN(CC3CC3)C1)CC2	160652378	KBAKYBAQYYUAGO-INIZCTEOSA-N	299.418	2.551	70	20	CFID	
CC(C)c1noc(CCCN[C@H](C)C2(C)CC2)n1	160813594	IGLRBFYWMKVGDR-LLVKDONJSA-N	251.374	2.904	70	20	CFID	
CC(C)Sc1ccccc1C(=O)NC[C@H](C)CCO	160946995	VPCPIAOXTXFLML-GFCCVEGCSA-N	281.421	2.935	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H](C)CCC(C)C)CC1	159514406	LAVXDAIMJLUBGY-AWEZNQCLSA-N	269.433	2.548	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1ccc(N(C)C)cc1	159386941	RPWZFVVTHWZBLE-ZDUSSCGKSA-N	258.369	2.840	70	20	CFID	
CCSCC[C@H](C)NC(=O)[C@@](C)(N)c1ccccc1	160210080	KEROTBBKYBRURU-WFASDCNBSA-N	280.437	2.508	70	20	CFID	
CN(C)C[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1	160366245	SNHDMSOYECPJNN-SNVBAGLBSA-N	284.762	2.503	70	20	CFID	
CC(C)(C)[C@@H](COC1CCC1)CS(=O)(=O)Cl	114478391	FZHYHDXFRSANHL-VIFPVBQESA-N	268.806	2.786	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCCCCC1	1120874237	UGACRICRGNIOPO-UHFFFAOYSA-N	299.367	2.669	70	20	CFID	
C[C@@H]1CCN(C(=O)NCc2cccc(N(C)C)c2)C[C@@H]1C	161380341	MNJXHPPAIOIAIK-KGLIPLIRSA-N	289.423	2.940	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCCc2cn3c(n2)CCCC3)C1	160043244	HCYWOVSXRDYCAJ-KBPBESRZSA-N	289.423	2.704	70	20	CFID	
CC[C@@H](C(=O)NCC(C)(C)OC)c1ccc(F)cc1	160524737	XKZOXTSEOHQZDZ-CYBMUJFWSA-N	267.344	2.861	70	20	CFID	
CCC[C@H](CC)NC(=O)N1CCO[C@@H](CCC)C1	160683275	SMZJJFOMSPHHKF-STQMWFEESA-N	256.390	2.776	70	20	CFID	
CN(Cc1ccncc1)C(=O)c1nc2ccccc2s1	160876319	CTHWHTVBDWNJCF-UHFFFAOYSA-N	283.356	2.964	70	20	CFID	
CCc1ccc(CC(=O)Nc2ccc(NC(N)=O)cc2)cc1	159479674	RCLFXVDDPRCOLN-UHFFFAOYSA-N	297.358	2.921	70	20	CFID	
CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1	159911980	FTCKFDNGDLWQGB-UONOGXRCSA-N	292.448	2.761	70	20	CFID	
C[C@H]1Cc2ccc(F)cc2[C@H]1NCCCN1CCCC1=O	159590220	DPPWIWQERBZFTL-SJCJKPOMSA-N	290.382	2.661	70	20	CFID	
CCN(CCCO)C(=O)CCc1ccc(OC)c(Cl)c1	160480807	NNBMQIRLWHLZST-UHFFFAOYSA-N	299.798	2.512	70	20	CFID	
CC1(C)C[C@H](Nc2cnc3ccccc3n2)CCO1	160675534	SNZIQRRGZMUNPO-LLVKDONJSA-N	257.337	2.999	70	20	CFID	
O=C(CCNCc1ccc(Cl)cc1F)N1CCCCC1	160888084	KPHADGOKBPMOIS-UHFFFAOYSA-N	298.789	2.971	70	20	CFID	
CC(C)Oc1cc(NCC2(N(C)C)CCCC2)ncn1	161029815	URXPFDQUWZVPCL-UHFFFAOYSA-N	278.400	2.550	70	20	CFID	
COc1cc(OC)cc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218698213	RZZFOTNWXHJOLF-STQMWFEESA-N	273.332	2.637	70	20	CFID	
C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)F)c2)C(C)(C)C1	1338818698	FWUTUCAAASTHNX-SNVBAGLBSA-N	299.367	2.605	70	20	CFID	
Cc1cc(C)c2c(c1)C=C(S(=O)(=O)Cl)CO2	100645330	GDDJFWHLMKNCTJ-UHFFFAOYSA-N	258.726	2.605	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(=O)NC2CC2)cc1	161057620	MUBHPGREAPXWCF-VXGBXAGGSA-N	288.391	2.743	70	20	CFID	
CCCC(O)(CCC)CC(=O)N[C@H](C)C[C@@H]1CCCO1	161147688	KFFVIEOBDGQTIT-KGLIPLIRSA-N	285.428	2.782	70	20	CFID	
CCN(C)C(=O)c1cccc(C(=O)N2[C@@H](C)CC[C@H]2C)c1	161496525	BBDOZWDYWNCTTJ-BETUJISGSA-N	288.391	2.792	70	20	CFID	
COCCCC[S@@](=O)c1ncc(C(C)(C)C)s1	160434386	VJYTVCWXCRITPS-KRWDZBQOSA-N	275.439	2.975	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1cccnc1	160647769	OWRGJSCUWJWDJB-ZIAGYGMSSA-N	286.400	2.914	70	20	CFID	
Cc1csc(CNC(=O)NC[C@]2(C)CCCS2)n1	159634821	WBBVJKCWIUVXKA-LBPRGKRZSA-N	285.438	2.536	70	20	CFID	
COc1cccc(CCCN(C)C[C@@H]2CCC[C@@H]2O)c1	159866312	ZGQGWCMXBDSYLO-RDJZCZTQSA-N	277.408	2.721	70	20	CFID	
CC[C@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)OC	159498950	PLMFGWHOQXJJHM-NSHDSACASA-N	291.269	2.991	70	20	CFID	
Cc1cc(C)cc(OCCCN2CCC(C)(O)CC2)c1	161199970	WQNALKKAFRHIII-UHFFFAOYSA-N	277.408	2.919	70	20	CFID	
O=S(=O)(Oc1cc(O)cc2ccccc12)C(F)(F)F	165384968	XNZXJSIHVXVHCR-UHFFFAOYSA-N	292.234	2.774	70	20	CFID	
CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1	161415192	VIUJVRYSUPBMDL-KFWWJZLASA-N	289.423	2.777	70	20	CFID	
CC(=O)NC1CCC(NCCc2ccc(C)cc2)CC1	161502552	NOHDSKRORYICMB-UHFFFAOYSA-N	274.408	2.574	70	20	CFID	
CCn1cc([C@H](C)NC[C@@](C)(O)c2ccsc2)cn1	160025049	ZYDONWLHXUXNNI-SMDDNHRTSA-N	279.409	2.523	70	20	CFID	
CC[C@H](C)OCC(=O)N1CCC[C@@H]1C1CCCC1	160249507	ZUZLWDPSRVXCHZ-GXTWGEPZSA-N	253.386	2.983	70	20	CFID	
CCSc1cc(C(=O)N(C)Cc2cccn2C)ccn1	160385199	VZDZSXBWMVITHH-UHFFFAOYSA-N	289.404	2.804	70	20	CFID	
CCn1cc([C@@H](C)NC2CCN(C3CCCC3)CC2)cn1	160487937	FPVYSLVNHKKHET-CQSZACIVSA-N	290.455	2.961	70	20	CFID	
Cc1ccc(-c2ccc(CN3CCNC(=O)C3)s2)cc1	160507878	UPHVKPFJPRUHOF-UHFFFAOYSA-N	286.400	2.655	70	20	CFID	
O=C1[C@H](Oc2ccccc2F)CCCN1CC(F)(F)F	160527051	WURHTKOWAFAZMI-LLVKDONJSA-N	291.244	2.758	70	20	CFID	
CC1CCN(CCNC(=O)[C@H]2CCC[C@H](C)C2)CC1	160552825	ODIYJYDJYYXVGV-GJZGRUSLSA-N	266.429	2.661	70	20	CFID	
Cc1cc(F)cc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)c1	160598370	WLOLMRCGUTXSJQ-NEPJUHHUSA-N	280.343	2.759	70	20	CFID	
CC(C)(O)CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1	160632335	CQGOZSYFCBJXBY-ZIAGYGMSSA-N	251.345	2.822	70	20	CFID	
CCCN(CCC)CCCNC(=O)NC1(C)CCC1	160662995	NAJRVIMHASUHQB-UHFFFAOYSA-N	269.433	2.740	70	20	CFID	
Cc1cccc([C@H](C)NC(=O)CCNC(C)C)c1C	160834494	DMTDRORYTZXFMO-AWEZNQCLSA-N	262.397	2.869	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1	159716973	LDNIMBRCQPPYDU-KKUMJFAQSA-N	292.448	2.519	70	20	CFID	
Cc1cccc2sc(NC(=O)c3cc[nH]c(=O)c3)nc12	159758357	UZNIWAKOTBLAEQ-UHFFFAOYSA-N	285.328	2.545	70	20	CFID	
Cc1ccc2oc(C(=O)N(C)[C@H](CN)C3CC3)cc2c1	159840506	FLGODIQCHJDIKN-CYBMUJFWSA-N	272.348	2.551	70	20	CFID	
CN(C)C1(CN[C@H]2CCCc3cccnc32)CCCC1	160710456	ONXGLVMJGZMOMV-HNNXBMFYSA-N	273.424	2.923	70	20	CFID	
CC[C@H]1CN(CCCN2CCCCC2)CCS1	161383723	WLMWMDALUUFOHL-AWEZNQCLSA-N	256.459	2.690	70	20	CFID	
COc1ccc2nc(SCn3cccn3)[nH]c2c1	218281682	NEYWRTFIEDYTAL-UHFFFAOYSA-N	260.322	2.518	70	20	CFID	
C[C@@H]1CCCC[C@@H]1OCCCS(=O)(=O)Cl	112155156	LQGJQLNRFXQAKW-ZJUUUORDSA-N	254.779	2.540	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N1CCc2ccc(C)cc21	160389205	HPMSRJSYDSSOQZ-LLVKDONJSA-N	267.394	2.733	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NC[C@@H](C)CN2CCCC2)C1	161074438	AVMVUJAQPFNJDG-ZNMIVQPWSA-N	266.429	2.661	70	20	CFID	
CCN(CC)[C@H](C)CNC(=O)c1ccc(C(C)C)nc1	161426335	VJCBRHFQYLSDJF-CYBMUJFWSA-N	277.412	2.665	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)C1	161461920	QYOFRDXQOWMYOQ-RQJHMYQMSA-N	276.262	2.588	70	20	CFID	
C[C@H]1C[C@@H](C)CCN(C(=O)c2cccc(-n3ccnn3)c2)C1	161462681	BUJHDZUGHRNFOH-KBPBESRZSA-N	298.390	2.776	70	20	CFID	
CC(C)c1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cn1	160087871	NUYRJYLPGDOPJU-UHFFFAOYSA-N	281.319	2.729	70	20	CFID	
CCCC1(CNC(=O)Cn2nc(C)c(Cl)c2C)CC1	160560011	ZTPIYXNBSKUJNH-UHFFFAOYSA-N	283.803	2.850	70	20	CFID	
CC(C)CSCCCNC(=O)CC1(O)CCCC1	160843471	IVPDRSSWYPZZGW-UHFFFAOYSA-N	273.442	2.577	70	20	CFID	
C[C@@H](CC(=O)NCC(F)F)c1ccc(F)cc1F	159414988	ZNWLOJLDNGPUQC-ZETCQYMHSA-N	263.234	2.840	70	20	CFID	
CC(C)n1nccc1C(=O)NCCCOc1ccccc1	159754365	AQLXEJWJPASVAM-UHFFFAOYSA-N	287.363	2.663	70	20	CFID	
Cc1c(CN[C@@H]2CCc3cc(F)ccc32)cnn1C	161216759	ZNSCQACWPFYHFQ-OAHLLOKOSA-N	259.328	2.645	70	20	CFID	
O=C1OCC[C@H]1CCOc1ccc(Cl)c(F)c1	161146521	QUVDFCRAGHEHFF-MRVPVSSYSA-N	258.676	2.811	70	20	CFID	
CC[C@H](COC)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	161147374	CLLXMAYJFLTSFR-RHSMWYFYSA-N	291.391	2.924	70	20	CFID	
CCCn1nc(C)c(C(=O)Nc2cccnc2)c1C	161183676	LYZXOVCVFNLMQB-UHFFFAOYSA-N	258.325	2.557	70	20	CFID	
Cc1ccc(-c2cccc(CN3CCNC(=O)C3)c2)cc1	160503740	SDTSXUOGUSNLEC-UHFFFAOYSA-N	280.371	2.594	70	20	CFID	
CC[C@@H](C)OCC(=O)NCC(C)(C)N1C[C@@H](C)C[C@@H](C)C1	160655479	MOLDSCQZIJJQHK-QLFBSQMISA-N	298.471	2.674	70	20	CFID	
CCCc1nc(Cn2cnc(C(C)C)cc2=O)cs1	160720680	ZADGVFZABQUHJX-UHFFFAOYSA-N	277.393	2.824	70	20	CFID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CC=CC1	160951353	XXTMTZYCQSWNIQ-UHFFFAOYSA-N	281.359	2.938	70	20	CFID	
COc1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1Cl	159453700	JWBHDACZEKFSSQ-ZDUSSCGKSA-N	284.743	2.649	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@@H]2CCC[C@@H]21	159544419	CDHBWPMRHIBCTH-AAEUAGOBSA-N	279.409	2.660	70	20	CFID	
CC(C)(C)OC(=O)NCCNCc1ccc(Cl)o1	218073580	RVPAAZNFWGLQJE-UHFFFAOYSA-N	274.748	2.547	70	20	CFID	
COc1ccc(Cl)cc1C(=O)NCC1(CO)CCCC1	160312986	XSDBTUFNIJQCER-UHFFFAOYSA-N	297.782	2.631	70	20	CFID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1cncc(F)c1	161104511	BSXLURPWKBSSBN-CQDKDKBSSA-N	265.376	2.744	70	20	CFID	
CC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1336921172	OAHHLTCBEAVLCO-LBPRGKRZSA-N	299.367	2.750	70	20	CFID	
CCN(CC(C)C)C(=O)c1c(C)nsc1NC	160052191	VEFSOUSPLRGDHO-UHFFFAOYSA-N	255.387	2.611	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(C)cn1	161017815	ZGQPWYRLOBYLFW-OCCSQVGLSA-N	261.369	2.826	70	20	CFID	
CCCn1nc(C)c(C(=O)NCc2ccccc2F)c1C	161341489	LSJKRNIUDHAITP-UHFFFAOYSA-N	289.354	2.979	70	20	CFID	
CCCCNC(=O)N1CCO[C@](C)(c2ccccc2)C1	160194137	CLURVIMJNOXWND-INIZCTEOSA-N	276.380	2.744	70	20	CFID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(CC(C)C)cc1	160286075	PDHKKVWYJUUTRE-AWEZNQCLSA-N	299.436	2.588	70	20	CFID	
Cc1ccc2c(c1)[C@@H](NC(=O)NCC1(C3CC3)CC1)CO2	160535414	VDKAJTBGIKXXEU-AWEZNQCLSA-N	286.375	2.918	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc2c(c1)CCCC2	160565982	XEEMENDIWVBLDM-LBPRGKRZSA-N	289.375	2.637	70	20	CFID	
COCc1ccc(C(=O)NCC2(C3CC3)CC2)cc1	159837900	QCPHEHZZBXUUPL-UHFFFAOYSA-N	259.349	2.753	70	20	CFID	
Cc1cc(C)cc(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	159927095	WTVHSKFKIUBEOK-XBXGTLAGSA-N	262.353	2.728	70	20	CFID	
CN(CCc1nccs1)C(=O)Nc1ccc(F)cc1	159741174	QFIJTWKRYOTZDH-UHFFFAOYSA-N	279.340	2.989	70	20	CFID	
CCOCCC(=O)Nc1cc(F)ccc1OC(F)F	159373073	XNQFYTBPUOLCSS-UHFFFAOYSA-N	277.242	2.792	70	20	CFID	
Cc1ccc(F)cc1OCc1nnc2n1CCCC2	217323351	YWRNMGGSFRAOLL-UHFFFAOYSA-N	261.300	2.641	70	20	CFID	
CC(C)(C)c1nsc(N2CCC[C@@H]2C(C)(C)O)n1	160158712	HEMSMVFPBACBSC-SECBINFHSA-N	269.414	2.575	70	20	CFID	
CCC(C)(CC)C(=O)N[C@H](C)C(=O)OC(C)(C)C	159473762	GWTACUCVJCHHRV-SNVBAGLBSA-N	257.374	2.659	70	20	CFID	
CCOC(C)(C)CNc1nnc(C(F)(F)F)s1	159539631	HBWWZYJZKGPMGO-UHFFFAOYSA-N	269.292	2.784	70	20	CFID	
COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(C)ncn1	161286496	QPJRYNZXEBLDRW-GFCCVEGCSA-N	285.347	2.593	70	20	CFID	
CCC(=O)c1cccc(NC(=O)CCn2cccn2)c1	161338915	RAHSCUNHHMXENY-UHFFFAOYSA-N	271.320	2.505	70	20	CFID	
c1nc(NCC2CC2)cc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160405697	CDDUUQMLGBOLJW-UONOGXRCSA-N	288.395	2.668	70	20	CFID	
Cc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1	160548039	WIWBNOMEQAFQGQ-SWLSCSKDSA-N	270.380	2.561	70	20	CFID	
C[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2F)[C@@H]1C	160708102	IEPYVOZSBRRZLO-WDEREUQCSA-N	264.344	2.762	70	20	CFID	
CN(Cc1cccn1C)C(=O)/C=C/c1cccc(F)c1	160743228	JLUCLDBELCFDEE-CMDGGOBGSA-N	272.323	2.836	70	20	CFID	
CCn1c(SCC(F)F)nc2ccc(F)cc2c1=O	159601354	POHNIIHJBZASOD-UHFFFAOYSA-N	288.294	2.913	70	20	CFID	
Cc1cc(N[C@H](C)C(=O)NCCC2=CCCCC2)nn1C	159612922	LKXJQTURPAZKEZ-CYBMUJFWSA-N	290.411	2.536	70	20	CFID	
C[C@@H](CNC(=O)NCC1(C2CC2)CC1)CN1CCCCC1	159686581	OGUZWDKRXWXQAT-AWEZNQCLSA-N	293.455	2.598	70	20	CFID	
COCC[C@H](C)NC(=O)c1cnc(-c2ccccc2)nc1C	159721193	RRONVKBNVZDMLF-LBPRGKRZSA-N	299.374	2.607	70	20	CFID	
COc1cc(N[C@@H](C)CCn2cccn2)cc(OC)c1	159365117	IUBCFTQQEMNZOM-LBPRGKRZSA-N	275.352	2.791	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)NCCc1ccncc1C	159969588	YTMMLHBUSLTJED-DGCLKSJQSA-N	263.385	2.666	70	20	CFID	
C[C@@H](NCc1cc(F)cc(Cl)c1)C(=O)N1CCCC1	160981419	SIRAWLKURVXGPE-SNVBAGLBSA-N	284.762	2.580	70	20	CFID	
Cc1ccc([C@@H](O)CNC(=O)/C=C\c2ccc(O)cc2)cc1	217162596	KIHNYBZYDVEYIK-KOJMWDNASA-N	297.354	2.564	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1	161081865	YJYBEDJUEFYGLR-NXEZZACHSA-N	286.828	2.720	70	20	CFID	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccco1	161224197	IJHAQSINSILOMK-JTQLQIEISA-N	275.279	2.810	70	20	CFID	
CSC[C@@H](CCO)N[C@@H](CC(C)C)c1ccccn1	160174590	FNIWMZPUYDTAGX-HIFRSBDPSA-N	282.453	2.872	70	20	CFID	
CCc1nc(CN[C@H](C)C(C)(C)c2ccccc2)n[nH]1	160402143	KLTLDBALTOFHHX-GFCCVEGCSA-N	272.396	2.823	70	20	CFID	
C[C@H](NC(=O)C1CCC(C)(C)CC1)[C@@H]1CCOC1	160689599	ACXXSCCWKJBXIL-WCQYABFASA-N	253.386	2.744	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1	160916913	FWBZXXHRLVTFRI-ABAIWWIYSA-N	274.364	2.696	70	20	CFID	
COCCC1(C(=O)NCCCOCC(C)C)CCCC1	159709548	GKNBJLGRZYNLGF-UHFFFAOYSA-N	285.428	2.762	70	20	CFID	
C[C@H]1CC[C@@H](CC(=O)NCC2(N)CCCCC2)C1	159647216	OFZUCWQUXRYDDO-QWHCGFSZSA-N	252.402	2.591	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N2CCO[C@@H](C)[C@@H]2C)c1	159478226	DXKVWPCZBVUTEX-GJZGRUSLSA-N	275.392	2.872	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)CCOc1ccc(OC)cc1	159887369	ZJXKREMWZMSTSU-NVXWUHKLSA-N	291.391	2.969	70	20	CFID	
C[C@H](c1ccc(F)c(F)c1)N(C)CCn1ccnc1	159709613	LHWCJTQQNIGKNK-LLVKDONJSA-N	265.307	2.854	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1	159793093	WDEDWESAYOBUTK-CRWXNKLISA-N	281.396	2.661	70	20	CFID	
NC1(CC(=O)N2CCSC3(CCCCC3)C2)CCC1	161452844	OOEBTKURXVQDPH-UHFFFAOYSA-N	282.453	2.536	70	20	CFID	
CCn1cc(CN(CCOC)Cc2ccccc2)cn1	160441043	IVFMDXLHJYBWRG-UHFFFAOYSA-N	273.380	2.552	70	20	CFID	
CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217788967	VMGHSXKGZBEXHD-NTZNESFSSA-N	259.415	2.531	70	20	CFID	
COc1ccc(C(F)(F)C(=O)NC[C@H](C)SC)cc1	161379207	UDEHWFKZEIHCOH-VIFPVBQESA-N	289.347	2.655	70	20	CFID	
CCC[C@H](CC)NC(=O)N1CCCN(CC(F)F)CC1	161252731	DENQJRBAGHMJIB-LBPRGKRZSA-N	291.386	2.548	70	20	CFID	
COc1cc(F)c(C(=O)N2CCCC[C@@H]2C)cc1OC	161285035	ICSRABOHRAKDFK-JTQLQIEISA-N	281.327	2.858	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1	161305875	SBVKWDQHDNOUDF-QCNOEVLYSA-N	292.345	2.741	70	20	CFID	
O=C(COCC(F)(F)F)N1CCc2c(Cl)cccc21	161449654	REMXWFVZVSPZRP-UHFFFAOYSA-N	293.672	2.808	70	20	CFID	
Cc1nc(NC(=O)c2c(C)noc2C)cc(C2CC2)n1	160253403	AQJXSALCNAKLKG-UHFFFAOYSA-N	272.308	2.520	70	20	CFID	
COCc1nc(C)c(C(=O)NC[C@H]2CC=CCC2)s1	160706678	UAVZYUUBDSHEBC-NSHDSACASA-N	280.393	2.684	70	20	CFID	
CC[C@@H](NCCNC(=O)c1ccco1)c1ccc(F)cc1	160712620	HAUYRKWPIMHGPN-CQSZACIVSA-N	290.338	2.889	70	20	CFID	
O=C(NCc1nccs1)[C@H]1C[C@H]1c1cccc(F)c1F	160739700	NHFHSYANAVSNOM-UWVGGRQHSA-N	294.326	2.841	70	20	CFID	
O=C(c1cc(F)cc2cccnc12)N1CCSCC1	160812133	WWQWGMNOUGTCED-UHFFFAOYSA-N	276.336	2.563	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(Cl)cc1	159836879	SGUUOVRWVVHBCE-XHDPSFHLSA-N	296.798	2.957	70	20	CFID	
Cc1ccccc1CNC(=O)NCCCC(=O)OC(C)C	159503162	QDJFOVZCZHCYAJ-UHFFFAOYSA-N	292.379	2.526	70	20	CFID	
Cc1ccccc1CN(C)C(=O)c1ccc(O)cc1O	217510797	YZMNXMLIIMPTIG-UHFFFAOYSA-N	271.316	2.678	70	20	CFID	
Clc1ccccc1[C@@H]1CN(CCn2ccnc2)CCO1	159809004	TYBSKIAVQJUGPM-HNNXBMFYSA-N	291.782	2.610	70	20	CFID	
CCCOCC1(CS(=O)(=O)Cl)CCCCC1	114474576	QMFNFRMZAOQUPA-UHFFFAOYSA-N	268.806	2.932	70	20	CFID	
CCCOc1cc(CN(CCC)CCO)ccc1OC	161222993	LSBAQEGIKXWAHE-UHFFFAOYSA-N	281.396	2.688	70	20	CFID	
NCCCN1CCC(c2ccccc2Br)CC1	217257047	CIVNWKPZHDUDPW-UHFFFAOYSA-N	297.240	2.977	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1	161345973	QTGDERMONREMLB-IUODEOHRSA-N	298.390	2.636	70	20	CFID	
CC(C)(C)OC(=O)NC1CC(NCCCC2CC2)C1	161408351	MDYRHQDWRWYCOY-UHFFFAOYSA-N	268.401	2.822	70	20	CFID	
CC(C)c1nccc(N[C@H](CC(N)=O)C2CCCCC2)n1	161411044	DUWMKDIIZWQQIR-CYBMUJFWSA-N	290.411	2.836	70	20	CFID	
Cc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ncn1	161451663	YEAOJWIDSJZMDJ-OAHLLOKOSA-N	267.332	2.666	70	20	CFID	
Cc1noc(C)c1CNC(=O)/C=C/c1ccc(Cl)nc1	160024059	QINPVFBSTAPHSK-GQCTYLIASA-N	291.738	2.669	70	20	CFID	
CC(C)CCOc1ccc(C(=O)NCC(C)(C)N)cc1	160040332	QRUKPAMEQOHOOC-UHFFFAOYSA-N	278.396	2.579	70	20	CFID	
CCCn1nccc1CNc1cccc(C(=O)NC)c1C	160067114	LLKTYUBLBAIKKS-UHFFFAOYSA-N	286.379	2.573	70	20	CFID	
CCN(CC)[C@@H](C)CNC(=O)[C@@H](C)c1ccsc1	160071373	AAGQRIGMRPXMLM-RYUDHWBXSA-N	268.426	2.698	70	20	CFID	
COc1ccc2c(c1)CCC[C@H]2N[C@H](CCO)CSC	160361385	PTOLCWQEXOMFOW-CZUORRHYSA-N	295.448	2.776	70	20	CFID	
CC[C@H](C(=O)N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1	160409590	NRDMXBDARHIEGF-NHYWBVRUSA-N	289.354	2.930	70	20	CFID	
COc1csc(C(=O)N(C)c2ccc3c(c2)OCO3)c1	160422530	QEBQSAVTWFPRAV-UHFFFAOYSA-N	291.328	2.762	70	20	CFID	
C[C@@H]1CN(c2nnc(C(C)(C)C)s2)CC(C)(C)O1	160493782	KRZIEUIWQFJADA-SECBINFHSA-N	269.414	2.839	70	20	CFID	
CC(C)NCCC(=O)N(Cc1ccc(F)cc1)CC1CC1	160910057	GABNPDROOBQRAS-UHFFFAOYSA-N	292.398	2.952	70	20	CFID	
COCC(C)(C)C(=O)NCc1ccc(OC)c(Cl)c1	159854635	DLWCUZNFVMAONL-UHFFFAOYSA-N	285.771	2.637	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1noc2c1CCCC2	159803486	NXOIGNNJBSCVAC-JQWIXIFHSA-N	262.353	2.862	70	20	CFID	
CC[C@@H](CC(=O)NCc1ncc[nH]1)c1ccc(C)cc1	159861567	XAZLVHYGENBEMQ-ZDUSSCGKSA-N	271.364	2.918	70	20	CFID	
O=C(Nc1ccccn1)c1ccnc(OCC(F)(F)F)c1	159544822	MGDOPMQBGZZXOA-UHFFFAOYSA-N	297.236	2.670	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](C)CSC)c1C	159947190	UQAJTNSTJAWJFV-SNVBAGLBSA-N	284.429	2.865	70	20	CFID	
CC[C@@H](C)N(CC)C[C@@H](O)c1cc(OC)ccc1OC	216908484	SUXMLTQUXMUPPA-IUODEOHRSA-N	281.396	2.858	70	20	CFID	
COC(=O)c1occc1CN1CC[C@@H]2CCCC[C@@H]21	159601687	VOCQHEKGTZXBIT-AAEUAGOBSA-N	263.337	2.831	70	20	CFID	
CC[C@H](CCO)NC(=O)c1cc2ccccc2c(Cl)n1	160071515	MRJCZIUKBFHHLE-LLVKDONJSA-N	292.766	2.779	70	20	CFID	
C[C@@H](CO)N(C)Cc1ccc(Br)cc1Cl	161066845	PORHTUFLTJGNSK-QMMMGPOBSA-N	292.604	2.915	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2ncn(C)n2)cc1	161089287	OSTADGZSITULSR-RYUDHWBXSA-N	299.378	2.887	70	20	CFID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1cnc(C)nc1C	161174410	MJFNJYCLNIBFES-SWLSCSKDSA-N	276.428	2.618	70	20	CFID	
COc1ccc(CN(C(=O)[C@@H]2CCCCO2)C2CC2)cc1	160188146	NDXNVSHFGLQILA-INIZCTEOSA-N	289.375	2.755	70	20	CFID	
Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCc2sccc21	160251956	JANWGXXKYNYRAG-LBPRGKRZSA-N	289.404	2.906	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(CC)c(C)s1	160265251	DPXCPCLRZZDYEE-SECBINFHSA-N	283.393	2.690	70	20	CFID	
CC(C)(C)c1nc(N[C@H]2CCO[C@@H](C3CC3)C2)no1	160339515	VSELNBOJMVRCRJ-WDEREUQCSA-N	265.357	2.737	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)NCCOc1ccc(Cl)cn1	160395265	ZIFBSQGBHZAPHZ-LLVKDONJSA-N	299.802	2.848	70	20	CFID	
CC(C)CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160417023	OUFLZCNMEKWIRS-AWEZNQCLSA-N	278.352	2.632	70	20	CFID	
Cc1nn(C)c(C)c1C(=O)Nc1cccc(OCCF)c1	160457578	ZGHZVHQTYGXXGM-UHFFFAOYSA-N	291.326	2.638	70	20	CFID	
C[C@@H](Sc1ccccc1Cl)C(=O)N(C)[C@H](C)CO	160580880	GHKDUCALACJBOW-NXEZZACHSA-N	287.812	2.660	70	20	CFID	
Cc1ccc(NC(=O)c2cccc(-n3ccnn3)c2)c(F)c1	160624823	DWDWAVDRPJRGIX-UHFFFAOYSA-N	296.305	2.967	70	20	CFID	
CC[C@H](NC(=O)C[C@@H]1CCCN1)c1cc(F)ccc1F	160659142	BMCVYRPRCHAINV-FZMZJTMJSA-N	282.334	2.674	70	20	CFID	
CS[C@H](C)CC(=O)Nc1nnc(-c2ccccn2)s1	160763661	IIAMNYUQWIYPHJ-MRVPVSSYSA-N	294.405	2.680	70	20	CFID	
Cc1cccc(CCC(=O)N(C)Cc2cccn2C)c1	160769312	KYEWYGPMDRHEJK-UHFFFAOYSA-N	270.376	2.925	70	20	CFID	
CC(C)c1cc(=O)n(CC(=O)c2ccc(F)cc2F)cn1	160799272	JDLMIAWAKBRRBC-UHFFFAOYSA-N	292.285	2.528	70	20	CFID	
Cc1ccnc(-c2ccc(NC(=O)CCNC(C)C)cc2)n1	160878049	ZPDGKSJTPQPNMU-UHFFFAOYSA-N	298.390	2.779	70	20	CFID	
CCCCn1ncc(NC(=O)NCC(O)(CC)CC)c1C	159811593	NMDMTTFKQXLHMR-UHFFFAOYSA-N	296.415	2.664	70	20	CFID	
COc1ccc(OC(F)F)c(CNC(=O)C(C)(C)F)c1	159651557	IIUMABAHOMGMTE-UHFFFAOYSA-N	291.269	2.661	70	20	CFID	
CC1=C(C(=O)NCCCn2cnc3ccccc32)CCCO1	159706961	QKAKDXYDCIICJR-UHFFFAOYSA-N	299.374	2.627	70	20	CFID	
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1occc1C	159907572	LSVKIYNZJVDFBP-UHFFFAOYSA-N	297.358	2.847	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)C1CCCC1	159532523	NBZAJTMPHGDLMJ-ZDUSSCGKSA-N	251.370	2.785	70	20	CFID	
Cc1c(NC(=O)Nc2ccn(C)n2)cnn1CCC(C)C	159768316	MBOGYHFNVPPBCR-UHFFFAOYSA-N	290.371	2.615	70	20	CFID	
COc1ccc(CCCCCC(=O)NCC(C)(C)N)cc1	159999771	GJWICKYAZJQDSK-UHFFFAOYSA-N	292.423	2.652	70	20	CFID	
COc1ccc(C(=O)NN2[C@@H](C)CCC[C@H]2C)c(F)c1	218441839	IMUQDNNMLIREDR-PHIMTYICSA-N	280.343	2.742	70	20	CFID	
Clc1ccc([C@@H]2CN(CCn3ccnc3)CCO2)cc1	159767522	KAQPTOUCKJQDRI-HNNXBMFYSA-N	291.782	2.610	70	20	CFID	
CC(C)(CO)CCCNC(=O)CC1=CCCCC1	160346831	DTWUSMDARKENNZ-UHFFFAOYSA-N	253.386	2.792	70	20	CFID	
O=c1sc2c(n1Cc1nccs1)CCCCC2	161346010	XKHQBJMPNJHYRN-UHFFFAOYSA-N	266.391	2.684	70	20	CFID	
O=C1[C@H](N2Cc3ccccc3C2)CCCN1CC(F)(F)F	160023928	PRPRKSNNQFOZAC-CYBMUJFWSA-N	298.308	2.556	70	20	CFID	
CN(c1nc(C(C)(C)C)ns1)[C@@H]1CCSC1	160123034	HQCVGQLTGBYYQG-MRVPVSSYSA-N	257.428	2.777	70	20	CFID	
Cc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1F	160214438	WGSXRAUWQMEWFD-UHFFFAOYSA-N	283.368	2.603	70	20	CFID	
C[C@H](CO)CNC(=O)c1ccc(C2SCCS2)cc1	160440194	UNKIPGHGBXSLHP-JTQLQIEISA-N	297.445	2.523	70	20	CFID	
CC[C@H](C)CS(=O)(=O)Oc1cc(C)ccc1NC(C)=O	160490062	YFIJSOXUNNUMFU-JTQLQIEISA-N	299.392	2.708	70	20	CFID	
COCCCN(C)C(=O)NCC1(Cc2ccccc2)CC1	160760743	YTQNXHVEHLQAAV-UHFFFAOYSA-N	290.407	2.687	70	20	CFID	
C[C@@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)c1cccs1	159400454	ILNVKPPQXKUGCW-ZIAGYGMSSA-N	292.448	2.938	70	20	CFID	
CCC[C@@](C)(CO)NC(=O)Nc1ccnc(C)c1Cl	159748252	UZFPSYDGIXUCJA-ZDUSSCGKSA-N	285.775	2.716	70	20	CFID	
COCCC1(CNC(=O)N[C@@H](C)c2nccs2)CCC1	159364494	SXBSZNHGKCBGJN-NSHDSACASA-N	297.424	2.710	70	20	CFID	
COCCN(C)CCN[C@@H](Cc1ccc(F)cc1)C(C)C	159371980	SHTSYAAHMACZPB-KRWDZBQOSA-N	296.430	2.561	70	20	CFID	
CC(=O)C[C@H](C)NC(=O)CCC(=O)c1ccc(Cl)cc1	159965357	FYQYZYGUBGKLBG-JTQLQIEISA-N	295.766	2.787	70	20	CFID	
CNC[C@@H]1CCCN([C@@H](C)c2c(F)cccc2F)C1	218062129	DDYVLQGNUMQQAZ-RYUDHWBXSA-N	268.351	2.957	70	20	CFID	
CC(=O)Nc1ccccc1CN[C@H]1CCOC(C)(C)C1	160550467	WFMZKCZLMVOQQR-AWEZNQCLSA-N	276.380	2.692	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3s2)C1	161138270	ZCBKOTBLRUTZDM-NEPJUHHUSA-N	274.389	2.901	70	20	CFID	
O=C(NCCc1ccc(F)cc1)Nc1ccc(O)cc1	217520777	CYWUONREXFVDBO-UHFFFAOYSA-N	274.295	2.896	70	20	CFID	
COc1cc(CN(C)CCn2ccnc2)ccc1SC	161508152	CYCRLKZMELPUOH-UHFFFAOYSA-N	291.420	2.746	70	20	CFID	
C[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)c1ccco1	809281174	IZQOOUWGIKHMQT-VIFPVBQESA-N	297.307	2.680	70	20	CFID	
O=c1oc2cc(Cl)ccc2n1Cc1nccs1	161226728	YSJJMOJMUOVCAR-UHFFFAOYSA-N	266.709	2.753	70	20	CFID	
Cc1cc(C(=O)N(Cc2ccco2)Cc2ccco2)ncn1	161476021	DOLQYULADKDRSY-UHFFFAOYSA-N	297.314	2.814	70	20	CFID	
COC(=O)C1(NC(=O)c2ccc(F)c(Cl)c2)CCCC1	160160089	PWLJXNDCPDSSBI-UHFFFAOYSA-N	299.729	2.695	70	20	CFID	
CCSCC[C@@H](C)Nc1nc2ccccn2n1	160331388	PUYWPPBVEQVYAS-SNVBAGLBSA-N	250.371	2.673	70	20	CFID	
C1C[C@@H](Nc2nc(C3CC3)ns2)C[C@H](C2CC2)O1	160387554	ZZCUSLXFWYRBAC-GHMZBOCLSA-N	265.382	2.785	70	20	CFID	
Cc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)c(F)c1	160490045	XHUDGZIJUAYXCO-UHFFFAOYSA-N	296.305	2.967	70	20	CFID	
CC[C@H](NC(=O)[C@@H](C)C1CC1)c1c(C)noc1C	160614355	GLEWRZPELKVBEJ-UFBFGSQYSA-N	250.342	2.905	70	20	CFID	
CCc1c(C(=O)Nc2nccs2)cnn1CC(C)C	160662834	SLXRGBJAXKXOOQ-UHFFFAOYSA-N	278.381	2.810	70	20	CFID	
CC[C@H](C)OCC(=O)N1C[C@@H](C)Oc2cc(C)ccc21	160744517	ZWPWQCVHMLLBOL-QWHCGFSZSA-N	277.364	2.924	70	20	CFID	
O=C(/C=C/c1ccc(Cl)cc1)NOCc1cccnc1	160792550	QFJHKEYZQCITCW-VMPITWQZSA-N	288.734	2.996	70	20	CFID	
Cc1cnccc1CCNC(=O)NC[C@H]1Cc2ccccc21	159888542	OFKSWYPCYYUMDW-MRXNPFEDSA-N	295.386	2.572	70	20	CFID	
CCc1ccc(OC(=O)c2n[nH]c3c2CCC3)c(OC)c1	159719282	QFUFMAZWKUUZNR-UHFFFAOYSA-N	286.331	2.689	70	20	CFID	
CN(C)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1	159573147	WUUQUIKABLBYGJ-UHFFFAOYSA-N	294.439	2.720	70	20	CFID	
COc1c(CNCCCC2CCCC2)c(C)nn1C	218213374	HDIGPMDCTLUQOQ-UHFFFAOYSA-N	265.401	2.797	70	20	CFID	
C[C@H]1CN(CCCC(=O)c2ccc(F)cc2)[C@@H](C)CO1	218349323	NVOVVUSAVLORQI-STQMWFEESA-N	279.355	2.898	70	20	CFID	
CCc1ccc(CN[C@H]2CCN3CCCC[C@@H]23)cc1	217646008	ZXEXMQCXIRROAI-IRXDYDNUSA-N	258.409	2.965	70	20	CFID	
COc1cc(OC)nc(N[C@@H](C)c2ccc(C)cc2)n1	159781108	JCUIFLHIDLSALQ-NSHDSACASA-N	273.336	2.975	70	20	CFID	
CN(CCc1ccncc1)C(=O)N1CCCCCC1	160379168	ODBJDPZEIMCHNP-UHFFFAOYSA-N	261.369	2.552	70	20	CFID	
CCNc1nc(C(=O)NC[C@]2(C)CCCS2)cs1	160510008	WRZMZJNEXAKFBU-LBPRGKRZSA-N	285.438	2.590	70	20	CFID	
CO[C@H](C)[C@H](C)Nc1ccc(Cn2cccn2)cc1	161238604	WAMKHQKWFOQIQG-QWHCGFSZSA-N	259.353	2.767	70	20	CFID	
CC(C)(C)CC(=O)OCCOC(=O)CC(C)(C)C	218200142	HLBNXBOBBZHOBR-UHFFFAOYSA-N	258.358	2.945	70	20	CFID	
CCCCNC(=S)NCCCCC(F)(F)F	159579593	AEFOLKTVKKMDSI-UHFFFAOYSA-N	256.337	2.983	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1	161102388	NVIQOLQYJGGHNA-AWEZNQCLSA-N	283.375	2.931	70	20	CFID	
C[C@H](CC(=O)N(C)C[C@@H]1CCOC1)c1ccc(F)cc1F	161394454	GMWWCGDKAPPLSS-NEPJUHHUSA-N	297.345	2.953	70	20	CFID	
CC[C@@H](C(=O)Nc1c[nH]c(=O)c(C)c1)c1ccc(F)cc1	161410567	JCVGZZLHCWVNCT-CQSZACIVSA-N	288.322	2.955	70	20	CFID	
Cc1cccc(CCNCc2ccc(N(C)C)nc2)c1	161450341	ZUUSYKHOXPIXFI-UHFFFAOYSA-N	269.392	2.788	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)[C@H](C)OC	160205823	LHZDASNKBATCIB-QWRGUYRKSA-N	252.310	2.643	70	20	CFID	
Cc1nc(NC(=O)c2scnc2C)cc(C2CC2)n1	160240689	QHUPHWROVMNUHX-UHFFFAOYSA-N	274.349	2.680	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)C1CC=CC1	160281436	JSUPPNTWPMOXRP-CQSZACIVSA-N	263.381	2.951	70	20	CFID	
CNC(=O)c1ccc(OC)c(NCc2ccc(C)o2)c1	160282657	FKQWMUBZHOZVHS-UHFFFAOYSA-N	274.320	2.568	70	20	CFID	
Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(=O)n2C)c1	160693238	YJAFELACKRNFMY-HNNXBMFYSA-N	296.370	2.671	70	20	CFID	
CC[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1	160700802	FYCDSGMEWXESFY-HOCLYGCPSA-N	293.455	2.692	70	20	CFID	
CC(C)CSCCCNC(=O)c1cccc2c1OCO2	160789322	RLJAEODQZYIAOE-UHFFFAOYSA-N	295.404	2.924	70	20	CFID	
CC(C)(CCc1ccccc1)NC(=O)CC[C@@H]1CCNC1	160808288	VNEGOBOOWLBDIM-MRXNPFEDSA-N	288.435	2.904	70	20	CFID	
CCc1cccc(NC(=O)Cn2cnc(C(C)C)cc2=O)c1	160892658	LBSWJFXCMLOFKS-UHFFFAOYSA-N	299.374	2.568	70	20	CFID	
CC[C@H](N[C@@H](C(N)=O)C(C)C)c1ccc(F)cc1F	160897430	SMKCYINFONRYFN-QWHCGFSZSA-N	270.323	2.515	70	20	CFID	
COc1ccccc1CC(=O)N1CCc2c(F)cccc2C1	160940575	UFVWWEWWANLCDW-UHFFFAOYSA-N	299.345	2.962	70	20	CFID	
C[C@@H](CCO)CNC(=O)[C@@H](C)Cc1ccccc1Cl	159606789	PMUCXEXQGUHXNU-RYUDHWBXSA-N	283.799	2.653	70	20	CFID	
CCCC(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]2CC)CC1	159760654	SUOBYQGBQCTPGH-ZFWWWQNUSA-N	294.439	2.720	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)cc1	159380944	RUTLTASGOGBTLL-DZGCQCFKSA-N	283.375	2.631	70	20	CFID	
CN(C)c1ccc(CN[C@H]2CCCc3occc32)cn1	159979583	IIHXWUOKTXUMQX-AWEZNQCLSA-N	271.364	2.908	70	20	CFID	
O=S(=O)(F)N(Cc1ccc(O)cc1)c1ccccc1	1887504234	NBVQDSXMEWHPFI-UHFFFAOYSA-N	281.308	2.613	70	20	CFID	
CC(C)OCC1(CS(=O)(=O)Cl)CCCC1	114474161	YTALKDUJFVFYOX-UHFFFAOYSA-N	254.779	2.540	70	20	CFID	
NC(=O)c1cccc(CNCc2cccc3cc[nH]c23)c1	218088372	ZZBUFGYJAVNTAJ-UHFFFAOYSA-N	279.343	2.557	70	20	CFID	
O=S(=O)(Cl)CCCCOc1ccc(F)cc1	100495484	PZIGBMOWDWBZHG-UHFFFAOYSA-N	266.721	2.553	70	20	CFID	
Cc1ccsc1CCCC(=O)N[C@@H](CO)CC(C)C	161077122	MSVLMRHFXPJVHL-CYBMUJFWSA-N	283.437	2.902	70	20	CFID	
CCOC1CCN(C(=O)c2cccc(C)c2F)CC1	161475410	VMWNRPZZUCMBGN-UHFFFAOYSA-N	265.328	2.775	70	20	CFID	
NCCCNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@@H]1C2	160065291	XBKJLJBNJHYHLP-JFIYKMOQSA-N	286.419	2.501	70	20	CFID	
C[C@H]1C[C@H](C)CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1	160462731	OCYVDJKPCDOJHO-VIRABCJISA-N	280.412	2.632	70	20	CFID	
CCc1nc(CN[C@@H](C)[C@H](C)c2ccccc2)n[nH]1	160563559	BICDJGAHAHBNRZ-RYUDHWBXSA-N	258.369	2.649	70	20	CFID	
C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccccc1Cl	159830888	WMALRHGKZUFVKR-ABAIWWIYSA-N	296.798	2.957	70	20	CFID	
CCOc1cccc(NC(=O)CO[C@H](C)CC)c1	159683910	FUBQKWLWQHCORH-LLVKDONJSA-N	251.326	2.839	70	20	CFID	
CCc1cc(O)nc(CN(C)Cc2cccc(F)c2)n1	160519572	TVUZFSHOYQCCJZ-UHFFFAOYSA-N	275.327	2.516	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C(C)(C)C1CCCC1	160756552	WGZOLPNGSXRJIN-CYBMUJFWSA-N	255.402	2.726	70	20	CFID	
CC1(O)CCN(C(=O)c2ccccc2C(F)(F)F)CC1	161269804	NHODXZDGNUVEOF-UHFFFAOYSA-N	287.281	2.692	70	20	CFID	
CCc1cc(C(=O)N(C)CC2(O)CCCC2)cc(Cl)n1	161492574	JHBUVBVBKIRIME-UHFFFAOYSA-N	296.798	2.675	70	20	CFID	
Cc1ccc(-c2cc(C(=O)Nc3ncccc3O)[nH]n2)cc1	217793481	HTOZOPYGJHTOBQ-UHFFFAOYSA-N	294.314	2.738	70	20	CFID	
COC[C@@H](NC[C@H](C)N(C)Cc1ccccc1)C(C)C	160882401	QJSAVUFUPCJMRU-DOTOQJQBSA-N	278.440	2.768	70	20	CFID	
C[C@@H]1CC(OCCCS(=O)(=O)Cl)C[C@@H](C)C1	113561126	LYHBESAJRNPTAG-UWVGGRQHSA-N	268.806	2.786	70	20	CFID	
O=S(=O)(Cl)[C@@H](c1ccccc1)c1ccccn1	88251113	CKROVMMLNOBIGA-LBPRGKRZSA-N	267.737	2.740	70	20	CFID	
CCOc1ccc(NC(=O)N[C@@]2(C)CCOC2)c(C)c1	161432509	JFWGAMVEKNUNOY-HNNXBMFYSA-N	278.352	2.694	70	20	CFID	
O=C(NC[C@H]1Cc2ccccc2O1)N1CCC2(CCC2)C1	160478488	QKEWAYLXQHXLIQ-CQSZACIVSA-N	286.375	2.576	70	20	CFID	
COc1cc(NC(=O)COC(C)(C)C)ccc1F	160558412	AMYACIBKFOPKOZ-UHFFFAOYSA-N	255.289	2.588	70	20	CFID	
Cc1cccc2c1CCN2C(=O)N[C@@H]1CCN(CC2CC2)C1	160755555	YYZYVCKCUJYBRA-OAHLLOKOSA-N	299.418	2.551	70	20	CFID	
O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCc2ccccc21	160783921	ASJPCXYZKQTWJB-KBMXLJTQSA-N	298.386	2.716	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N[C@H](C)[C@@H](CO)SC	160842330	GIOMRVAAZZQKKY-FRRDWIJNSA-N	290.473	2.614	70	20	CFID	
COCCN(CCCc1ccccc1)Cc1nccn1C	160865255	MDJSZGPTBCXZKM-UHFFFAOYSA-N	287.407	2.501	70	20	CFID	
CN(CCOC1CCCCCC1)C[C@@H]1CCC[C@@H]1O	159645305	CNNICMNNKHDHOL-HOCLYGCPSA-N	269.429	2.819	70	20	CFID	
Cc1nc(C)c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)o1	159652216	ZXIAZHYKJJCWTJ-GFCCVEGCSA-N	278.352	2.513	70	20	CFID	
CCCOc1cccc(C(=O)NCC2(N)CCCCC2)c1	159701974	CANCNRYQMCBENQ-UHFFFAOYSA-N	290.407	2.867	70	20	CFID	
CS[C@H](C)CNC(=O)NC[C@H](c1cccnc1)C(C)C	159513457	CUWPORUETGRRQC-OCCSQVGLSA-N	295.452	2.872	70	20	CFID	
Cc1ccc(F)cc1NC(=O)N[C@H]1CC[C@H](O)CC1	159935193	JPQCQEQZDUHQAL-TXEJJXNPSA-N	266.316	2.559	70	20	CFID	
COCC(C)(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1	159365096	LIPJDJRHSANPCC-VIFPVBQESA-N	271.307	2.815	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)NCCCC(C)(C)CO	159560323	XWJWAGDPNGBWMB-NSHDSACASA-N	296.411	2.700	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CCCC2	159800167	PIVAHXISPPSTHY-PWSUYJOCSA-N	261.369	2.597	70	20	CFID	
Cc1cccc(C(=O)NCc2c(C)noc2C)c1F	161480277	NRJBOZJNGWDDQD-UHFFFAOYSA-N	262.284	2.669	70	20	CFID	
CC(C)(C)[C@@H]1CN(CCS(=O)(=O)F)c2ccccc21	883954428	MZUXJPVKKWTGOA-GFCCVEGCSA-N	285.384	2.936	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1262732857	WZYWFLOJKANVFM-ZJUUUORDSA-N	287.356	2.509	70	20	CFID	
CCn1c(C)cc(C(=O)Nc2ccc(OC)c(N)c2)c1C	161211417	XHBRVSUNYIQJAG-UHFFFAOYSA-N	287.363	2.968	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N[C@H](CCO)C(C)(C)C)o1	161343767	OJAPBRQMYIVAGA-WCQYABFASA-N	282.384	2.745	70	20	CFID	
CCOC(=O)[C@H]1CC[C@H](NCc2ccco2)C[C@@H]1C	161481044	SOFMJNFLZMULJW-OBJOEFQTSA-N	265.353	2.737	70	20	CFID	
C[C@@H](CC(=O)NCc1cccc2c1OCO2)c1ccncc1	160190016	KKLNWQHRJVJOCD-LBPRGKRZSA-N	298.342	2.620	70	20	CFID	
CC[C@H](C(=O)NCc1ccn(C)c1)c1ccc(F)cc1	160734700	QDFQYMSDAYXDMF-HNNXBMFYSA-N	274.339	2.974	70	20	CFID	
O=C(CC1CC1)NCCOc1ccccc1Cl	159437608	XJBDTSOTKNIRHE-UHFFFAOYSA-N	253.729	2.635	70	20	CFID	
CSCCNC(=O)[C@@H]1C[C@H]1c1sccc1C	159654976	WEZPYHDILBUWDO-NXEZZACHSA-N	255.408	2.639	70	20	CFID	
C/C=C/C=C/C(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	159899532	YGVNNKNKEMKYOF-RRIWIZQISA-N	253.345	2.821	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159721960	MFVHNVDHLDAEBG-KFWWJZLASA-N	260.381	2.566	70	20	CFID	
CCCCCc1nnc(NC(=O)[C@H]2CCCCO2)s1	159739565	KESDHZBRMOEYRM-SNVBAGLBSA-N	283.397	2.778	70	20	CFID	
COc1ccc(C(=O)NCC2(C3CC3)CC2)c(OC)c1	159776837	VNWPWMLEEFYIQP-UHFFFAOYSA-N	275.348	2.624	70	20	CFID	
CN(Cc1cc(-c2ccccc2)on1)[C@H](CN)C1CC1	159991442	LLJSNATWJGWTNK-OAHLLOKOSA-N	271.364	2.511	70	20	CFID	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)O)c1ccccc1	217651813	IHAWSAXCEOGKNP-NSHDSACASA-N	280.324	2.520	70	20	CFID	
O=C(CCl)N1CCC(Cc2ccc(F)cc2)CC1	142857847	HHZZUJPKXZPRLP-UHFFFAOYSA-N	269.747	2.846	70	20	CFID	
O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)F)cc1	864238015	FDKPKBPOSQZJSG-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(OC)nn1	161078159	LOWHFAZPXVUGGR-DGCLKSJQSA-N	277.368	2.526	70	20	CFID	
COc1ccc(NC(=O)C2[C@H]3[C@@H]4CC[C@H](C4)[C@@H]23)cc1N	161249902	FMCQOIUKFAYREN-RTFANVGBSA-N	272.348	2.508	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@@H]1c1ccc(F)cc1	161329017	MMPLWRSMULWNPX-OAHLLOKOSA-N	299.411	2.787	70	20	CFID	
CS[C@@H](C)CC(=O)NCc1nc(-c2cccs2)no1	161463246	JRYPSWRVAQSDAX-QMMMGPOBSA-N	297.405	2.556	70	20	CFID	
CCOC(=O)Nc1cccc(OCc2nnc(CC)o2)c1	160591893	HGGODPDCVOQZEF-UHFFFAOYSA-N	291.307	2.779	70	20	CFID	
CSC[C@H](C)C(=O)NCCc1cc2ccccc2[nH]1	159604030	QLPCQIKOHOUFDG-NSHDSACASA-N	276.405	2.826	70	20	CFID	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2N)C1	159881027	VEUFTBSOTSCNEU-ABFRBSLYSA-N	286.419	2.827	70	20	CFID	
CCCC1(CNC(=O)NC2C[C@H](C)O[C@@H](C)C2)CC1	159975021	LNLNPCCNSCQIMK-RYUDHWBXSA-N	268.401	2.822	70	20	CFID	
COC[C@H](NC(=O)Nc1cc(OC)ccc1Cl)C1CC1	159593208	IBWDFBZKMYHJFD-ZDUSSCGKSA-N	298.770	2.895	70	20	CFID	
CC(C)c1ccc(C(=O)N(C)[C@H](CN)C2CC2)cc1	159860006	RSIDJMLRPBNRBC-OAHLLOKOSA-N	260.381	2.619	70	20	CFID	
CCC(CC)c1cc(CNC(=O)[C@H]2CCC[C@@H](N)C2)on1	161109943	YGTRAYGMXZEGPU-QWHCGFSZSA-N	293.411	2.712	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)C(=O)NCC1CC1	161223211	LYOIVGYIPVSOIB-UHFFFAOYSA-N	292.404	2.652	70	20	CFID	
CCOCCC1(CNC(=O)N[C@H](C)CC(C)C)CC1	161342191	PVLVBOHFUGVXFY-CYBMUJFWSA-N	270.417	2.927	70	20	CFID	
C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCCN2)C1	160101877	FMMPMSHSWKMAOQ-SJLPKXTDSA-N	286.419	2.709	70	20	CFID	
CC[C@@]1(C)CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160106943	HSOOMPONDJORHH-INIZCTEOSA-N	298.427	2.940	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)CC[C@@H](C)O	160130357	LJNNDLHJOPXMFU-SECBINFHSA-N	294.782	2.973	70	20	CFID	
CCc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[nH]n1	160323645	YAZWIFNGSSMHQF-CYBMUJFWSA-N	291.395	2.584	70	20	CFID	
Cc1cc([C@@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c(C)s1	160331588	QBPDCSPZMGDCON-IAQYHMDHSA-N	296.436	2.982	70	20	CFID	
Cc1ccc(C)c(OCCCCC(=O)N(C)[C@@H](C)CO)c1	160413580	KPEQTZKYXYZNAE-HNNXBMFYSA-N	293.407	2.692	70	20	CFID	
O=C(CC(F)(F)F)N[C@@H]1CCOC2(CCCCC2)C1	160655524	IKLLRCQFQRRUJI-SNVBAGLBSA-N	279.302	2.937	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NCc2nccs2)on1	160745340	UOSYOZCPTXQAKY-QMMMGPOBSA-N	265.338	2.575	70	20	CFID	
Cc1ccc(C[C@H](NCC(=O)NC(C)C)C(C)C)cc1	160994901	YLKWQKUYBNRERW-INIZCTEOSA-N	276.424	2.676	70	20	CFID	
CCc1ccc([C@H](C)NC(=O)N2CCC[C@@](C)(O)C2)cc1	159844740	RSBWKZXUPROONM-SUMWQHHRSA-N	290.407	2.866	70	20	CFID	
COC(=O)[C@@H](Nc1cc(C)n(C)n1)c1ccccc1Cl	159685079	KZFMOEXVMNGDGU-ZDUSSCGKSA-N	293.754	2.708	70	20	CFID	
CCCOc1cccc(CCNC(=O)c2cc[nH]c2)c1	159711877	RKRZTKXGJQNHBI-UHFFFAOYSA-N	272.348	2.776	70	20	CFID	
CC[C@@H]1CCCN1C[C@@H](O)c1cc(OC)ccc1OC	216865793	MACGGJQYNBLPBT-IUODEOHRSA-N	279.380	2.612	70	20	CFID	
CC(C)[C@H](O)CCNc1nc(C(C)(C)C)ns1	159637636	WTCWQPZUKPKRDA-SECBINFHSA-N	257.403	2.655	70	20	CFID	
O=C(CC1CCCCCC1)N1CCC[C@@H](CCO)C1	160428747	QGCBIWHKYRLNFF-HNNXBMFYSA-N	267.413	2.968	70	20	CFID	
O=C(Nc1ccccc1)c1cccc(S(=O)(=O)F)c1	1350564812	ANYYQEPJHRDKQR-UHFFFAOYSA-N	279.292	2.597	70	20	CFID	
C[C@@H](COC1CCCCC1)CS(=O)(=O)Cl	112159495	QSNSIKCCNDBFPP-VIFPVBQESA-N	254.779	2.540	70	20	CFID	
CC1(C)COCCN1C(=O)c1ccc(F)c(Cl)c1	159443047	VVGKDFWRVXJVGM-UHFFFAOYSA-N	271.719	2.730	70	20	CFID	
CCC(CC)CNC(=O)N(C)CCc1ccncc1	160599712	JVFDFEJZHULQQJ-UHFFFAOYSA-N	263.385	2.702	70	20	CFID	
C[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1F	160875987	UFZXVYMIYOHFIC-MRVPVSSYSA-N	256.708	2.889	70	20	CFID	
C[C@@H]1CCN(C(=O)c2ccc(N(C)C)cc2F)[C@@H]1C	160707985	IEPYVOZSBRRZLO-GHMZBOCLSA-N	264.344	2.762	70	20	CFID	
Fc1ccc2nc(CSCCN3CCOCC3)oc2c1	160072271	DGCHOYMQKCGEPD-UHFFFAOYSA-N	296.367	2.532	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1cnn(C(C)C)c1	160142091	NTFFRXQFZYPFPT-KGLIPLIRSA-N	266.433	2.845	70	20	CFID	
C[C@H](NC[C@@H](C1CCCCC1)N(C)C)[C@H]1CCOC1	160396787	PZENLXXABSUEQI-BPUTZDHNSA-N	268.445	2.512	70	20	CFID	
CCCCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1	161426258	DHXCUSMCTRFCEE-CABCVRRESA-N	295.471	2.938	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N(C)C[C@@H]2CCCCO2)on1	161432351	HVLAVAJYXNVRNJ-RYUDHWBXSA-N	280.368	2.829	70	20	CFID	
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(CN(C)C)cc1	161493775	YKTKLKVCNRYURP-CQSZACIVSA-N	297.402	2.976	70	20	CFID	
CCc1nnsc1C(=O)N[C@@H]1CCCc2sccc21	160130793	MTKHUHYCNOTMEG-SNVBAGLBSA-N	293.417	2.969	70	20	CFID	
CCNc1nc(C(=O)Nc2ccc(C)cc2O)cs1	160335615	JQZBNGPWBMPBFF-UHFFFAOYSA-N	277.349	2.841	70	20	CFID	
CC1(C)C[C@@H](NCc2cnn(-c3ccccc3)c2)CCO1	160508592	HUSADAAWAMZGNF-HNNXBMFYSA-N	285.391	2.920	70	20	CFID	
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCCO1	160554693	YHTDSVUTDUTNSH-NSHDSACASA-N	280.393	2.920	70	20	CFID	
Cc1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)cn1	160753613	PHLNOWFCYSIPSR-LLVKDONJSA-N	288.372	2.843	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cncc2ccccc12	160793622	MYKBMDDDYLTNOB-UHFFFAOYSA-N	279.343	2.846	70	20	CFID	
CCCCNC(=O)N[C@@](C)(CC)c1nccs1	160795211	AHSDRCKSVGYPLA-LBPRGKRZSA-N	255.387	2.868	70	20	CFID	
COC[C@@H](N[C@H](CCCO)c1ccccc1)C(C)C	160849663	CSNSQXFYAGECPS-HZPDHXFCSA-N	265.397	2.761	70	20	CFID	
C[C@H](NC(=O)[C@H](N)c1ccccc1)[C@@H](C)c1ccccc1	160892453	YVVLOEKUQAOTNH-JKIFEVAISA-N	282.387	2.995	70	20	CFID	
Cc1ccc(CCSCCN2CCOCC2)cc1	159846032	QADNTDDSRFJZOB-UHFFFAOYSA-N	265.422	2.603	70	20	CFID	
Cc1c(CCC(=O)N(C2CC2)[C@H](C)C(C)C)cnn1C	159717969	UABQFFYBANFEPS-GFCCVEGCSA-N	277.412	2.697	70	20	CFID	
O=C(NCCC1CC1)N1CCc2cccc(F)c2C1	159534955	FRMWEVMRAMNMKN-UHFFFAOYSA-N	262.328	2.694	70	20	CFID	
C[C@@H]1CC(NC(=O)NC[C@]2(C)CCCS2)C[C@@H](C)O1	159943491	PNEMVBVGMNXPBZ-GYSYKLTISA-N	286.441	2.527	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(C(=O)OC)s1	160116405	LEXLDGXTOZOGIN-OQPBUACISA-N	282.365	2.613	70	20	CFID	
C[C@H](CC(=O)NCc1cccc2c1OCO2)c1ccncc1	160190148	KKLNWQHRJVJOCD-GFCCVEGCSA-N	298.342	2.620	70	20	CFID	
CCCN1CCCN(C(=O)C2CCCCC2)CC1	160384744	PDRUVFFTVBSLJI-UHFFFAOYSA-N	252.402	2.511	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)Oc1cccc(F)c1F	160465519	GRMBFIIIXSCDGJ-MRVPVSSYSA-N	264.293	2.720	70	20	CFID	
CCn1ccnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c1=O	160575520	ZSCNDRTYSXPDQS-LSDHHAIUSA-N	299.374	2.595	70	20	CFID	
CCc1ccccc1C(=O)NC1CCN(C(C)C)CC1	160690418	IOZUODYYUWIJJS-UHFFFAOYSA-N	274.408	2.852	70	20	CFID	
O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCc2ccccc21	160783657	ASJPCXYZKQTWJB-BPUTZDHNSA-N	298.386	2.716	70	20	CFID	
C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCC[C@H](N)C1	160863351	XDDSJFFPQWIMGU-AEGPPILISA-N	292.448	2.694	70	20	CFID	
C[C@H](Cc1ccccc1Cl)C(=O)NCC(C)(C)CO	160915621	HHZRBDXVQGKWBA-LLVKDONJSA-N	283.799	2.653	70	20	CFID	
Cc1cccc([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1	159837679	APAYRXPDPBPQEB-MNOVXSKESA-N	288.313	2.713	70	20	CFID	
C[C@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	160104537	QYJRQJPFYKSHML-BMFZPTHFSA-N	272.392	2.533	70	20	CFID	
COc1ccc(/C=C\C(=O)NCCc2nccs2)cc1	216982016	FTEASVFXQLWPAD-DAXSKMNVSA-N	288.372	2.524	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(F)ccc1F	160075445	ZQSZFUSGSBTQGX-UHFFFAOYSA-N	251.276	2.885	70	20	CFID	
COc1cc(N[C@@H]2CCN(C)[C@H](C)C2)ccc1F	160038652	LOSCXLQPYVFLMR-ZYHUDNBSSA-N	252.333	2.729	70	20	CFID	
Cc1nn(C)c(C)c1CN(C)Cc1nc2ccccc2n1C	161058367	HQDMADNXZWHKSD-UHFFFAOYSA-N	297.406	2.556	70	20	CFID	
Cc1cc(C(=O)N2CCCC[C@@H]2c2ncon2)oc1C	161401937	MUALOKRZYOEEJD-LLVKDONJSA-N	275.308	2.647	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCc1nc2ccccc2n1C	160128955	RYOTZKFLRWTUQX-MEDUHNTESA-N	271.364	2.626	70	20	CFID	
NC[C@H]1CCCN1C(=O)c1ccc(SC(F)F)cc1	160273756	SOOYDUUGVWCZEJ-SNVBAGLBSA-N	286.347	2.565	70	20	CFID	
Cc1ccccc1C[C@H](C)NC(=O)/C=C/c1cnn(C)c1C	160325441	DPVFIZYTIJLXFG-HBWSCVEGSA-N	297.402	2.798	70	20	CFID	
O=C(Cc1ccc(O)cc1Cl)N1CCC2(CCC2)C1	160521521	AEZMURIGYMQMOH-UHFFFAOYSA-N	279.767	2.991	70	20	CFID	
C[C@@H](CO)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1	160562875	JGQGFHBNIVYDEI-AWEZNQCLSA-N	283.371	2.735	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCCc2cccc(F)c21	160657190	HNFKZHSCXTYIII-ZDUSSCGKSA-N	263.312	2.674	70	20	CFID	
CC(C)[C@H](O)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	159407356	SGXOIVCCERJDTQ-CABCVRRESA-N	293.407	2.676	70	20	CFID	
O=C(O[C@H](c1ccccn1)C(F)(F)F)C1CCOCC1	159850589	GBIPEDZJKCIEDW-LLVKDONJSA-N	289.253	2.655	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N[C@@H](C)Cc1ccc(C)s1	159663585	OZVILQXQBHIUML-MNOVXSKESA-N	289.466	2.953	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@H]2CCCO2)C1	159485087	KEHYBFZPWDRIQY-WCQYABFASA-N	277.389	2.940	70	20	CFID	
CSc1ccccc1NC(=O)[C@H]1CCCCO1	159559889	NIWHGNPQJXTNHD-LLVKDONJSA-N	251.351	2.916	70	20	CFID	
C[C@H](OCCCS(=O)(=O)Cl)c1ccccc1	112395376	BTWGITYILNXPQX-JTQLQIEISA-N	262.758	2.723	70	20	CFID	
O=S(=O)(Cl)C[C@@H](F)c1ccc(F)cc1F	1537958569	CPVGLWABMOZXAU-MRVPVSSYSA-N	258.648	2.544	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCNC1	161052968	UKBGTONPXNRLFG-JSGCOSHPSA-N	294.826	2.729	70	20	CFID	
CCc1ncc(NC(=O)N2CCC3(CCCC3)C2)cn1	161146673	OLQPUNGQQDMOPW-UHFFFAOYSA-N	274.368	2.837	70	20	CFID	
CC[C@H](C)OCC(=O)NCCCN(C)c1ccccc1F	160051250	JQDDMVNTVVXDAD-ZDUSSCGKSA-N	296.386	2.583	70	20	CFID	
COc1ccc(F)cc1C(=O)NCC1(C2CC2)CC1	160064559	QWYFHGMLJWACQC-UHFFFAOYSA-N	263.312	2.754	70	20	CFID	
CC(C)(N)CNC(=O)CCc1ccc(-c2ccccc2)o1	160087095	BAJABIZGXMRKJX-UHFFFAOYSA-N	286.375	2.733	70	20	CFID	
C[C@@H](CC(=O)NC[C@H]1CCN(C)C1)c1ccc(F)cc1F	160100651	MLTXYKXZSJLOCB-NWDGAFQWSA-N	296.361	2.526	70	20	CFID	
CN(c1nc(C(C)(C)C)ns1)[C@H]1CCSC1	160123174	HQCVGQLTGBYYQG-QMMMGPOBSA-N	257.428	2.777	70	20	CFID	
CN(C[C@@H]1CCCCO1)C(=O)c1ccc(N(C)C)cc1F	160425754	VESUXYCCUIAUCK-ZDUSSCGKSA-N	294.370	2.533	70	20	CFID	
CCC(N)(CC)CNC(=O)CCOc1ccc(Cl)cc1	160434232	IESKIDXCMUYVEP-UHFFFAOYSA-N	298.814	2.743	70	20	CFID	
COc1cc(NC(=O)c2ccc3[nH]cnc3c2)ccc1F	160503502	CFIJZRCAIUKNSH-UHFFFAOYSA-N	285.278	2.963	70	20	CFID	
NC(=O)c1cnccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1	160550219	NJBHLVLQAGHWIN-CZUORRHYSA-N	297.358	2.513	70	20	CFID	
Cc1ccccc1C1(C(=O)N[C@@H](CO)CC(C)C)CC1	160735584	DYMONSSMNUBSCY-CQSZACIVSA-N	275.392	2.550	70	20	CFID	
COc1cccc([C@H](C)CC(=O)N[C@@H]2CCC[C@H](N)C2)c1	160784955	XXUJXOIRJHQAMO-VHDGCEQUSA-N	290.407	2.575	70	20	CFID	
Cc1c(NC(=O)Nc2cccnn2)cnn1CCC(C)C	160939782	YLMGYYXGCDIMBI-UHFFFAOYSA-N	288.355	2.672	70	20	CFID	
C[C@@H](Cc1ccccc1F)C(=O)N(C)C[C@H]1CCCOC1	159446288	PUSCTXFTRPMIEL-UONOGXRCSA-N	293.382	2.889	70	20	CFID	
CC(C)C[C@@H](CCO)CNC(=O)c1ccc(C(C)C)nc1	159855003	GEEXHEBYNPUYFU-CQSZACIVSA-N	292.423	2.980	70	20	CFID	
O=C(NCc1cccc(Cl)c1)[C@H]1CCCCO1	159481346	GMEDRBVTTHTUJD-GFCCVEGCSA-N	253.729	2.525	70	20	CFID	
CCN(CC(F)(F)F)C(=O)C[C@H](C)c1ccncc1	159682180	ZWLVFIKVDZVRCY-JTQLQIEISA-N	274.286	2.986	70	20	CFID	
Cc1cc(NC(=O)C(C)(C)C2CCCC2)c[nH]c1=O	159687484	ULTOHLVMWGJCKV-UHFFFAOYSA-N	262.353	2.838	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(CC2(N)CCC2)n1	159940062	XXADKOCVUZVAIE-AWEZNQCLSA-N	287.363	2.619	70	20	CFID	
COC(=O)c1ccc(NC[C@H]2CCC[C@H](C)C2)nn1	217931493	KLGYRWBAONYUBP-QWRGUYRKSA-N	263.341	2.501	70	20	CFID	
C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)N1CCCC1	159714918	CDIPJRHWPQQINT-DYEKYZERSA-N	276.380	2.504	70	20	CFID	
C[C@H](COCCc1cccs1)CS(=O)(=O)Cl	112159927	DULKHDIYBXBOGU-SECBINFHSA-N	282.814	2.512	70	20	CFID	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)Nc1cccc(S(=O)(=O)F)c1	460091430	JZCMMMWOMBMTLB-OUJBWJOFSA-N	297.351	2.720	70	20	CFID	
CCC[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	813172399	GZMNIGPCBFGQTH-BXKDBHETSA-N	285.340	2.720	70	20	CFID	
CC(C)(CO)CNC(=O)CCC(C)(C)c1ccccc1	160917650	LJWLMKGOLQCCRN-UHFFFAOYSA-N	277.408	2.879	70	20	CFID	
CCOC(=O)[C@H](C)N[C@H](CC)c1ccc(F)cc1F	161003742	KXKBFJFSYYCVLW-TVQRCGJNSA-N	271.307	2.957	70	20	CFID	
CCNCC1CCN(C(=O)CSCCC(C)C)CC1	161105157	YKYLIASOKCFYIW-UHFFFAOYSA-N	286.485	2.614	70	20	CFID	
CCCNC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1	160175100	OJLWOHYDHOVNIS-PWSUYJOCSA-N	268.382	2.630	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N[C@@H](CN(C)C)c1ccccc1	160204265	DSYWEXQFVKQXJV-YQQAZPJKSA-N	274.408	2.842	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)CC(C)C	160228774	MMVCXXRRUPRANX-RYUDHWBXSA-N	257.374	2.517	70	20	CFID	
O=C([C@H]1CCn2ccnc2C1)N1CCC[C@@H]1C1CCCC1	160261101	LYSPVEPXQUGGDR-LSDHHAIUSA-N	287.407	2.627	70	20	CFID	
COc1ccc([C@@H](NC(=O)[C@H]2CCCCO2)C2CC2)cc1	160353319	KALPFOZJCWVXDH-CVEARBPZSA-N	289.375	2.832	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1	160411503	VMPXUBOCRCOSFY-WMLDXEAASA-N	286.375	2.954	70	20	CFID	
Cc1nc(C(C)C)sc1[C@H](C)NCC(C)(C)O	160600389	UETPNLVHIMBUHD-VIFPVBQESA-N	256.415	2.996	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159716707	LDNIMBRCQPPYDU-ILXRZTDVSA-N	292.448	2.519	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)Cc1cccc(C(=O)OC)c1	159781901	WMXCYDDGHDBMFV-VXGBXAGGSA-N	277.364	2.567	70	20	CFID	
CCCn1nccc1CNc1ccc(C(N)=O)c(Cl)c1	160069383	RGUOHMJWLWTWJR-UHFFFAOYSA-N	292.770	2.658	70	20	CFID	
CCc1nc(CN[C@H](c2ccc(F)cc2)C2CC2)n[nH]1	160554396	TXEUBTZMGOKCKH-HNNXBMFYSA-N	274.343	2.747	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NC[C@H](O)CN1CCC(C)CC1	161423832	CLNQCFCPXZOYGL-ULQDDVLXSA-N	282.472	2.638	70	20	CFID	
CC[C@@H](C)N(C)CCNC1CCN(c2ccccc2)CC1	160114511	TVHJJQNZKVVJAB-MRXNPFEDSA-N	289.467	2.975	70	20	CFID	
CCCC(O)(CCC)CC(=O)NCCOC1CCCC1	160136129	CKHGPMZGAGSCIU-UHFFFAOYSA-N	285.428	2.783	70	20	CFID	
Cc1ccc([C@H](C)NCCN2CCC(N(C)C)CC2)s1	160153585	JDVXCMRUPVUTRM-AWEZNQCLSA-N	295.496	2.733	70	20	CFID	
CCCCn1ncc(NC(=O)NCc2ccn(C)c2)c1C	160179425	KZKXPHYYNFGXGJ-UHFFFAOYSA-N	289.383	2.652	70	20	CFID	
CCN(CCCNC(=O)[C@H]1CCCCO1)c1ccccc1	160226410	LDKIEZIBBPWZFQ-MRXNPFEDSA-N	290.407	2.588	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1ccc2ccccc2n1	160298617	FCRJBOVPDNDLQA-UHFFFAOYSA-N	284.359	2.517	70	20	CFID	
CC[C@@H](C)OCC(=O)NCc1cccc(CN(C)CC)c1	160595386	DGIQSFAGRVZZDY-CQSZACIVSA-N	292.423	2.570	70	20	CFID	
CS[C@H](C)CC(=O)NCCCN(C)c1ccccc1F	160631321	GEZTUEGCPPAKDP-GFCCVEGCSA-N	298.427	2.910	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccc(-n2cccn2)cc1	160805450	WVZFSEZCLKYDOQ-SJLPKXTDSA-N	297.402	2.967	70	20	CFID	
CCc1ccc(C(C)(C)CNC(=O)C[C@@H]2CCCN2)cc1	160870014	YOAARJGNEAPLIF-INIZCTEOSA-N	288.435	2.785	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(F)n1	160916622	KHPINCQOTXUIFO-MRVPVSSYSA-N	277.299	2.958	70	20	CFID	
Cc1cc(NC(=O)c2sccc2-n2cccc2)c[nH]c1=O	159427847	FEAWOTLMPZQGAT-UHFFFAOYSA-N	299.355	2.788	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CN(C)C(=O)OC(C)(C)C	159840766	JZSKHBXTGHCRLN-RYUDHWBXSA-N	284.400	2.548	70	20	CFID	
C[C@@H]1CCCC[C@@H]1OCCN(C)C[C@@H]1CCC[C@@H]1O	159461402	DDVWNUAHPHRIJD-UGUYLWEFSA-N	269.429	2.675	70	20	CFID	
C[C@@H]1CN(C)CC[C@@H]1NCCCc1cccc(F)c1	159770226	SKFLNJZNTLEZSI-CJNGLKHVSA-N	264.388	2.688	70	20	CFID	
COc1cc(OC)nc(N[C@H](C)c2ccc(C)cc2)n1	159780965	JCUIFLHIDLSALQ-LLVKDONJSA-N	273.336	2.975	70	20	CFID	
CC[C@H](C)NC(=O)CCNCc1coc2ccccc12	159820648	FQKGVRHBGWCZGE-LBPRGKRZSA-N	274.364	2.827	70	20	CFID	
CC(C)N(CCc1nccs1)CC(F)(F)F	159913675	QVMSLZCVSIMOHI-UHFFFAOYSA-N	252.305	2.958	70	20	CFID	
CCN(CCOC)c1ncc(Cl)cc1Br	159755225	NXHSEWVEADXLRC-UHFFFAOYSA-N	293.592	2.970	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)c1ccncc1	160129687	NWVZAYKQPCQYGV-GFCCVEGCSA-N	258.346	2.951	70	20	CFID	
C[C@H](NC[C@@H](C)COCc1ccccc1)[C@@H]1CCOC1	161297093	ZRWNNBXTZCHYAY-HLLBOEOZSA-N	277.408	2.854	70	20	CFID	
C[C@@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CC=CCC1	864243213	AKNWVOZHQCWFMT-CQSZACIVSA-N	297.351	2.573	70	20	CFID	
CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1	161137776	HQFOUCDKZNGQQU-WDMOLILDSA-N	298.814	2.597	70	20	CFID	
Cc1ccccc1CS(=O)(=O)Cc1nccs1	161150948	XNKOIPPUEIETFF-UHFFFAOYSA-N	267.375	2.567	70	20	CFID	
COc1ccc2c(c1)N(CCCN1CCCCC1)CCO2	161301554	HJBUUTVIOAJCBG-UHFFFAOYSA-N	290.407	2.770	70	20	CFID	
CC(=O)NC1CCC(N[C@H](C)Cc2ccccc2F)CC1	161343422	MHPXZLJXGQKFFN-UWTIGNOOSA-N	292.398	2.794	70	20	CFID	
CCCn1nccc1CNc1cccc(C(=O)N(C)C)c1	160055871	IBVYFWOLTMDLRI-UHFFFAOYSA-N	286.379	2.607	70	20	CFID	
Cc1cc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ncn1	160213154	SOHWQGSYFWODSL-XJKSGUPXSA-N	282.391	2.717	70	20	CFID	
CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1	160333502	CRBKIAJGSUKAKZ-HOTGVXAUSA-N	284.407	2.951	70	20	CFID	
CN(CC1CCOCC1)C(=O)Nc1cc(C(C)(C)C)on1	160447607	HMDUVFCSYPJCIL-UHFFFAOYSA-N	295.383	2.862	70	20	CFID	
Cc1cc(F)cc(NC(=O)c2ncn(-c3ccccc3)n2)c1	160834824	DWMQPZLKRFZLAS-UHFFFAOYSA-N	296.305	2.967	70	20	CFID	
C[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl	160985615	NBARJVOQTJUJBK-NKWVEPMBSA-N	261.152	2.518	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)N2CCN(c3nccs3)CC2)C1	159401003	NTNJENMABWAKFD-CHWSQXEVSA-N	293.436	2.618	70	20	CFID	
CCOCCC1(CNC(=O)[C@H]2CCCCN2CC)CCC1	159614211	GSNLAWXOGWPXQA-OAHLLOKOSA-N	296.455	2.574	70	20	CFID	
CC(C)CCOCCNC(=O)C[C@@H](C)c1ccncc1	159462541	PBNFPCBWPUIHQN-CQSZACIVSA-N	278.396	2.754	70	20	CFID	
CCCc1nnc(NC(=O)N[C@H](CC)[C@@H]2CCCO2)s1	159706360	CQDCSXPMFGBXEO-ZJUUUORDSA-N	298.412	2.570	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(N(C)C)cc1	159770425	BHTXUUMKYRQMEF-UHFFFAOYSA-N	293.411	2.673	70	20	CFID	
CC[C@H](Cc1ccccc1)NC(=O)C(CC)(CC)CN	161206694	QWDJPIXKJZCPOJ-OAHLLOKOSA-N	276.424	2.889	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1	161281855	ADZJYZGFBHAASG-QWRGUYRKSA-N	293.436	2.896	70	20	CFID	
Cc1cccc(OCCN2CCN(c3ccncc3)CC2)c1	161322480	MHOIQXFVUMDUHV-UHFFFAOYSA-N	297.402	2.591	70	20	CFID	
Cc1cc(C(=O)N(Cc2ccccc2F)C2CC2)ncn1	161350138	RCYMRZHWURPGRR-UHFFFAOYSA-N	285.322	2.729	70	20	CFID	
CS[C@H]1CCC[C@H](NC2CCC(NC(C)=O)CC2)C1	161502933	AJNOYXOQSFZMPP-WUCCLRPBSA-N	284.469	2.698	70	20	CFID	
COc1ncccc1NC(=O)C[C@@H](C)c1ccncc1	160074906	LCISJECRZOQRAT-LLVKDONJSA-N	271.320	2.618	70	20	CFID	
N[C@@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1	160235223	NNOPGDFDVZAZRR-CQSZACIVSA-N	288.391	2.571	70	20	CFID	
CN(C(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2	160405502	VHQFHULSWJHYMZ-UHFFFAOYSA-N	291.253	2.970	70	20	CFID	
c1ccc([C@@H]2C[C@@H](Nc3ncnc4nc[nH]c34)CCO2)cc1	160666539	ZYNALWAFXTYGBC-STQMWFEESA-N	295.346	2.685	70	20	CFID	
CC(C)c1noc(CCCN[C@@H](C)C2(C)CC2)n1	160813472	IGLRBFYWMKVGDR-NSHDSACASA-N	251.374	2.904	70	20	CFID	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C[C@@H]1CCCN1	159806158	KVQIXDHBVFJGFI-INWMFGNUSA-N	290.382	2.672	70	20	CFID	
Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c[nH]c1=O	159424817	UOPJGNLTQCZICM-KGLIPLIRSA-N	286.306	2.565	70	20	CFID	
CCOC(C)(C)CNc1ncnc2ccsc12	159506990	OSJNKESYFPGCJM-UHFFFAOYSA-N	251.355	2.918	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CCc1nnc(C(C)C)o1	159703370	UQHBYEHAAIRVAP-VXGBXAGGSA-N	279.384	2.821	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1cccc(C(=O)NC2CC2)c1	159397193	CMIHFABFAGHWRI-ZDUSSCGKSA-N	298.390	2.666	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@@H]1c1ccccc1	161318949	XABIRUYGJXMGJK-OAHLLOKOSA-N	281.421	2.648	70	20	CFID	
Cc1ccc(C)c(SCC(=O)N[C@H]2CCC[C@@H](N)C2)c1	161418953	QVFCZCKYWXKUTL-KGLIPLIRSA-N	292.448	2.782	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)NCC[C@@H](O)C(C)C	159462174	AJYSUTSILASIRG-CYBMUJFWSA-N	269.772	2.785	70	20	CFID	
CCc1ccc(C(C)(C)C(=O)N[C@@H]2CCC[C@H](N)C2)cc1	161002662	ARNKBEMORSAGLK-JKSUJKDBSA-N	288.435	2.913	70	20	CFID	
CCN1CCC[C@H](CNC(=O)c2cnc(C(C)C)s2)C1	161081948	XWZBXVBWGBMMOV-GFCCVEGCSA-N	295.452	2.728	70	20	CFID	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc[nH]1	161270753	GKWSRDXPJVZONE-JTQLQIEISA-N	274.295	2.545	70	20	CFID	
CC(C)COc1cccc(C(=O)N[C@@H]2CCC[C@H](N)C2)c1	161359087	SJBIITWLCSRIIH-LSDHHAIUSA-N	290.407	2.721	70	20	CFID	
Cc1cc(C)c(C(=O)N[C@H]2CCOC3(CCCC3)C2)[nH]1	160158372	BMTBETYEJSNGSW-ZDUSSCGKSA-N	276.380	2.853	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)NCC(C)(C)[C@H](O)C(C)C	160221166	XYLVMAIYIVZGJH-CHWSQXEVSA-N	272.433	2.763	70	20	CFID	
Cc1ccc(NC(=O)Cc2nc(C)sc2C)c(O)c1	160346578	PIDBBHCAUKHURN-UHFFFAOYSA-N	276.361	2.955	70	20	CFID	
Cc1ccc(NC(=O)C(=O)N(C)C2CCCCCC2)cn1	160712945	JJDDJQKVUHEHBJ-UHFFFAOYSA-N	289.379	2.510	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C2CCCC2)C1	160886772	XRQIJSDXZCEYMI-LSDHHAIUSA-N	293.455	2.977	70	20	CFID	
CC1(NC(=O)NCCOc2ccc(F)c(F)c2)CCC1	160903515	FDOBDADBFJHHMC-UHFFFAOYSA-N	284.306	2.585	70	20	CFID	
CCC(C)(CC)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1	159400618	IKOSAXMPLVFHAF-LLVKDONJSA-N	294.361	2.908	70	20	CFID	
NC1(CNC(=O)C2(Cc3ccccc3)CC2)CCCCC1	159685614	FCBPFNBCBAVJHV-UHFFFAOYSA-N	286.419	2.787	70	20	CFID	
CC[C@@H](NC(=O)[C@H](N)CC(C)C)c1ccc(F)cc1F	159725379	MHNYCZODKZJVOI-ZIAGYGMSSA-N	284.350	2.906	70	20	CFID	
Cc1ccc(OCC(=O)NCC2(C3CC3)CC2)c(C)c1	159769755	GXKIHGJUXGKFSM-UHFFFAOYSA-N	273.376	2.989	70	20	CFID	
CCCCN(CC)c1ccc(C(=O)NCC(C)(C)N)cc1	159965336	GIUVNYQLCWHFNH-UHFFFAOYSA-N	291.439	2.780	70	20	CFID	
CC(C)(C)c1nsc(NC[C@H](O)C(C)(C)C)n1	159450247	GJRRASUZNUIPMI-QMMMGPOBSA-N	257.403	2.655	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1	161178653	RSCGTRCJDMUGRD-VHSXEESVSA-N	287.190	2.993	70	20	CFID	
O=C(Nc1ccn(Cc2ccncc2)n1)c1ccccc1	217956203	IMWZKIOYVNGFAN-UHFFFAOYSA-N	278.315	2.579	70	20	CFID	
COc1ccc(O)c(C(=O)NCc2ccc(C)c(F)c2)c1	216913667	ZKSQIQNMGYABCI-UHFFFAOYSA-N	289.306	2.778	70	20	CFID	
CC(C)(C)c1nsc(N[C@H]2CC[C@H](CO)CC2)n1	159959954	KMEFTKLKYRKJMK-AOOOYVTPSA-N	269.414	2.799	70	20	CFID	
CC1(C)CC(CNC(=O)c2cccc(S(=O)(=O)F)c2)C1	1338070035	YUMXZIRHDCXGNB-UHFFFAOYSA-N	299.367	2.511	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1cc(Cl)ccc1C	160032481	KHLREWDGMYKMDQ-UHFFFAOYSA-N	297.786	2.638	70	20	CFID	
O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCCCO1	160127346	BJMDDVLGGICMBS-OLZOCXBDSA-N	277.389	2.909	70	20	CFID	
CC(C)[C@H]1CCCC[C@H]1NCCN1CCC(N(C)C)CC1	160202969	YCOMNHSKFDELTQ-QZTJIDSGSA-N	295.515	2.817	70	20	CFID	
O=C(Cc1cc(F)ccc1F)NCC1(C2CC2)CC1	160216754	RHNFECGYMBPNGW-UHFFFAOYSA-N	265.303	2.814	70	20	CFID	
CCCCn1ncc(NC(=O)NCCCCOC)c1C	160218677	GGFWWCBSRNTESG-UHFFFAOYSA-N	282.388	2.540	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2	160308568	RGFDIBVFIHAVOR-GVMDUPDNSA-N	293.407	2.661	70	20	CFID	
Cc1ccc(OCC(=O)N(C)Cc2cccn2C)cc1C	160354114	JXZQIGRKLDWFLA-UHFFFAOYSA-N	286.375	2.679	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@](C)(O)C1	160538271	ZBWBMIBDPJJZKU-VNHYZAJKSA-N	268.401	2.512	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1F	160581690	LHJFDMAVMNTIGH-VXGBXAGGSA-N	295.354	2.777	70	20	CFID	
O=C(NCC1(C2CC2)CC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	160589190	WXIJKMNRPDDQCB-OWCLPIDISA-N	282.387	2.814	70	20	CFID	
CC(C)(O)CN[C@@H]1CCc2ccc(OC(F)(F)F)cc21	160658252	VURTYACCKSGQTB-GFCCVEGCSA-N	289.297	2.933	70	20	CFID	
C[C@@H](NC(=O)C1CCC(C)(C)CC1)[C@@H]1CCOC1	160689708	ACXXSCCWKJBXIL-DGCLKSJQSA-N	253.386	2.744	70	20	CFID	
Cc1ncc(/C=C/C(=O)Nc2cccc(F)n2)s1	160940522	RWCZBXKPNCGLCM-AATRIKPKSA-N	263.297	2.638	70	20	CFID	
CC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	160968203	VOVCOCKDUMOWBH-UKRRQHHQSA-N	292.423	2.886	70	20	CFID	
COc1ccc(Cl)cc1NC(=O)N[C@H]1CC[C@H](O)CC1	159811670	LDQJAJALCGGXGS-PHIMTYICSA-N	298.770	2.774	70	20	CFID	
NC(=O)c1ccccc1OCC(=O)CCC1CCCC1	159877443	LHBLVGGJJDUVFX-UHFFFAOYSA-N	275.348	2.704	70	20	CFID	
COc1ccc(N(C)C(=O)c2cc(C)no2)cc1Cl	159874460	HOYAKZCPPBBBTL-UHFFFAOYSA-N	280.711	2.922	70	20	CFID	
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@@H]1CCOC1	159378492	KJPABBKZNFSBJQ-WDEREUQCSA-N	282.771	2.831	70	20	CFID	
C[C@@H]1CCC[C@@H](CNC2=NS(=O)(=O)c3ccccc32)C1	218046829	FCFITFJQNYALQA-VXGBXAGGSA-N	292.404	2.551	70	20	CFID	
C[C@@H]1CC[C@@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)O1	159893927	CQEJZVWLGMQLQO-HQJQHLMTSA-N	289.253	2.917	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H]1CCCc2ccccc21	159971418	RZSXJQHDZOFDEL-MRXNPFEDSA-N	274.408	2.816	70	20	CFID	
O=S(=O)(Cc1ccccc1Cl)N1[C@H]2C=CC[C@H]1CC2	218758910	ATAZRPRKLCLLRP-STQMWFEESA-N	297.807	2.963	70	20	CFID	
CN(Cc1cn[nH]c1)C(=O)/C=C\c1ccc(Cl)s1	216682475	JFFSDJTUGXKTRQ-HYXAFXHYSA-N	281.768	2.796	70	20	CFID	
CCOC(=O)[C@H](c1ccccc1)N(C)C[C@@H]1CCCCO1	218171200	PZCSOXCNWVJVIU-HOTGVXAUSA-N	291.391	2.792	70	20	CFID	
C[C@H]1CCC[C@H](OCCCCS(=O)(=O)Cl)C1	114257971	LOODIZJLOLDXJT-QWRGUYRKSA-N	268.806	2.931	70	20	CFID	
C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)F)c2)C(C)(C)C1	1338818697	FWUTUCAAASTHNX-JTQLQIEISA-N	299.367	2.605	70	20	CFID	
Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1262673094	ZDSSZVAFDLANMP-UHFFFAOYSA-N	296.323	2.542	70	20	CFID	
CSC[C@@H](C)Nc1ccc(C(F)(F)F)nn1	161055278	ZFDSRTNYXWEMNY-ZCFIWIBFSA-N	251.277	2.659	70	20	CFID	
CCO[C@H](CCN(C)C)CNC(=O)C1CCC(C)(C)CC1	161098705	BPZCIMCAGZEHPR-OAHLLOKOSA-N	298.471	2.676	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)COC(C)(C)C)o1	161213081	MKKYIMNPDOXJKI-ZDUSSCGKSA-N	295.379	2.905	70	20	CFID	
COc1ccc(CC[C@H](C)NCc2cnn(C)c2C)cc1	161268702	GOWOGVYBTISHKD-ZDUSSCGKSA-N	287.407	2.848	70	20	CFID	
C[C@@H](CC(=O)N(C)c1ccccc1)N[C@H](C)C1CC1	160141411	IEQGZLCQQHKGOQ-QWHCGFSZSA-N	260.381	2.816	70	20	CFID	
CCCCc1nnc(NC(=O)CO[C@@H](C)CC)s1	160348877	GARMGOHNRBIUPN-VIFPVBQESA-N	271.386	2.634	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1csc2c1CCCC2	160431645	SDDXULVRGDMQEP-JTQLQIEISA-N	295.404	2.698	70	20	CFID	
CCc1ccc(/C=C/C(=O)NC[C@H](C)C(=O)OC(C)C)o1	160549876	YJCYUFMKKVUKNT-BCPZQOPPSA-N	293.363	2.559	70	20	CFID	
C[C@H](NCCCc1nc2c(s1)CCCC2)[C@@H]1CCOC1	160590568	OLECDFYMABUREJ-QWHCGFSZSA-N	294.464	2.969	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)NCc1ccc(C)s1	160799139	PGKZLPAPKDEZKU-UHFFFAOYSA-N	297.811	2.936	70	20	CFID	
COC[C@@H](NCCCc1cccc(F)c1)C1CC1	159820813	RDVRBXGTAGEUCX-OAHLLOKOSA-N	251.345	2.773	70	20	CFID	
O=C(Cc1ccccc1O)NCCc1cc2ccccc2[nH]1	159641529	CVWLFVROAQEHCF-UHFFFAOYSA-N	294.354	2.775	70	20	CFID	
C[C@]1(NC(=O)Nc2cccc(Cl)c2F)CCOC1	159659816	QJKYASRORNTIOQ-LBPRGKRZSA-N	272.707	2.780	70	20	CFID	
CC(C)OC(=O)CCN(C)Cc1cccc(N(C)C)c1	159885620	MUDXHIJQNRMEJL-UHFFFAOYSA-N	278.396	2.526	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(C)cc1OC	159768973	XDDSZEBEGBIVPP-NSHDSACASA-N	251.326	2.757	70	20	CFID	
CCCCOc1ccc(C(=O)N(CC)CCCO)cc1	160488862	ZESWPOBDKGXNDL-UHFFFAOYSA-N	279.380	2.710	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)NCc1ccccc1	161130619	RSVKPQGRPBCRMW-OAHLLOKOSA-N	297.402	2.608	70	20	CFID	
COc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1N	161355767	OPTLDJCFVYEXOZ-NSHDSACASA-N	285.347	2.805	70	20	CFID	
COC(=O)Nc1cccc(OCc2nccs2)c1	161376228	NNNBTFBRFUSATN-UHFFFAOYSA-N	264.306	2.900	70	20	CFID	
COc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCCCO2)c1	161386590	VDCOJJHXQJIRNU-CVEARBPZSA-N	289.375	2.928	70	20	CFID	
COc1ccc(N(C)C(=O)CC2CCNCC2)cc1Cl	161441312	ZUFGLANGOODHFD-UHFFFAOYSA-N	296.798	2.701	70	20	CFID	
O=C(C[C@H]1OC(=O)c2ccccc21)NCC1(C2CC2)CC1	160120527	KKNUCZMNFFTODO-CQSZACIVSA-N	285.343	2.595	70	20	CFID	
C/C=C(\C=C\C(=O)NCCN1C(=O)Cc2ccccc21)CC	160140805	OHGIIUWVDCPVEJ-NZBXDPCTSA-N	298.386	2.604	70	20	CFID	
CCCCN(CCOC)Cc1c(C)nc2ccccn12	160322795	CSFSEXXXHBEUQG-UHFFFAOYSA-N	275.396	2.891	70	20	CFID	
CCc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(C)n1	160383616	IHDHITZAVSNTGC-KGLIPLIRSA-N	261.369	2.717	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@@H](C)Cc1cccc(F)c1	160691678	XVPGHLQEOLHPLO-SWLSCSKDSA-N	281.371	2.528	70	20	CFID	
CS(=O)(=O)CCCCSCc1cccc(F)c1	160904390	WSWQVWIKQRAUSH-UHFFFAOYSA-N	276.398	2.884	70	20	CFID	
Cc1c(/C=C/C(=O)N[C@@H]2CCc3c(F)cccc32)cnn1C	160973385	GBCLWFVPFBEVIZ-YXMGTMDOSA-N	299.349	2.685	70	20	CFID	
C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@H](C)CCO	159606935	PMUCXEXQGUHXNU-NEPJUHHUSA-N	283.799	2.653	70	20	CFID	
COC[C@H](NC(=O)Nc1cc(C(C)(C)C)on1)C1CC1	159953429	PZZAYIVJEFCNSB-JTQLQIEISA-N	281.356	2.519	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@@H](C)Cc1ccccc1C	159392760	KLXLTQLPWVJBGW-UONOGXRCSA-N	263.381	2.857	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H](C)C[C@@H]1CCCCCN1	217921244	XQSWHWGQVQBTQX-JYJNAYRXSA-N	269.477	2.617	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1CC12CCCC2	460087278	AFYTXVLETNASPC-LBPRGKRZSA-N	297.351	2.864	70	20	CFID	
CCCCCOCC(=O)N(C)c1ccc2c(c1)OCO2	160256749	IHYDNWXIQFKMDB-UHFFFAOYSA-N	279.336	2.585	70	20	CFID	
CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1	160251911	VBXGYGUEBPYLRO-ZBFHGGJFSA-N	289.423	2.566	70	20	CFID	
C[C@@H](NC[C@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160403706	RFVJDYOXCIGTAY-CZUORRHYSA-N	278.444	2.581	70	20	CFID	
Cn1c(C(=O)N(CC2CCCCC2)C2CC2)cccc1=O	160539646	GYWNUWGCAWBKTD-UHFFFAOYSA-N	288.391	2.570	70	20	CFID	
CS[C@H](C)C(=O)N[C@@H](C)CC(=O)c1cccs1	160838739	FCMYJGYXDRXAQD-DTWKUNHWSA-N	271.407	2.577	70	20	CFID	
O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CCCCO1	160868846	LYMIEAZGZFAEFI-ZBFHGGJFSA-N	273.376	2.792	70	20	CFID	
Cc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)n1C	159439159	XARYFJHUSZLHFD-BLLLJJGKSA-N	286.375	2.576	70	20	CFID	
CCOCCN(CC(=O)OC)[C@@H](CC)c1ccccc1	159671576	QINSRPYKZHESGI-HNNXBMFYSA-N	279.380	2.649	70	20	CFID	
CCCOC(=O)[C@@H](C)N1CCC(OC2CCCC2)CC1	159977813	UFUJDLMDDLGJHM-CYBMUJFWSA-N	283.412	2.752	70	20	CFID	
Cc1nc(C)c(-c2nc(-c3cccc(N)c3)no2)o1	159541518	QNPNGZNHRHGRQX-UHFFFAOYSA-N	256.265	2.591	70	20	CFID	
c1csc([C@H]2CCCN(CCOCC3CC3)C2)n1	160001059	KQHSDJPAFFFBSD-ZDUSSCGKSA-N	266.410	2.749	70	20	CFID	
CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H]1CCC(C)(C)O1	160829210	DRHRNBWOYXWZRX-OLZOCXBDSA-N	283.412	2.750	70	20	CFID	
CCOC(=O)CCCN1CCC[C@@H]1c1cccc(C)n1	159842700	SRJPWMWQYZRYGX-OAHLLOKOSA-N	276.380	2.870	70	20	CFID	
C[C@@H](CCN(C)C)Nc1ccncc1Br	159833172	UXWKALOSGQTZFE-VIFPVBQESA-N	272.190	2.596	70	20	CFID	
CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238335	ZXZFWQSJRIDESI-JSGCOSHPSA-N	299.367	2.966	70	20	CFID	
CC(C)(C)OC(=O)Nc1ccoc1S(=O)(=O)Cl	97976178	TZMRCEQVBYZPOG-UHFFFAOYSA-N	281.717	2.554	70	20	CFID	
O=C(Nc1ccc(N2CCCCC2)cc1)C(F)F	217619531	HUDZXJYLRYNRET-UHFFFAOYSA-N	254.280	2.881	70	20	CFID	
CCc1ccc(CNC(=O)NOCc2cccnc2)s1	161091149	VGKKXEGHTGAASP-UHFFFAOYSA-N	291.376	2.637	70	20	CFID	
COc1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1F	161127619	KFJOHKDBDJOTSU-SNVBAGLBSA-N	284.356	2.804	70	20	CFID	
Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CCC[C@@H](N)C1	161208728	FOMGANHMLDAMEF-OLZOCXBDSA-N	299.374	2.650	70	20	CFID	
CCCn1ccc2ccc(NC(=O)[C@@H]3CCCNC3)cc21	161282116	OADRDOSIODRGKT-CQSZACIVSA-N	285.391	2.989	70	20	CFID	
CCc1cc(NC(=O)/C=C/c2ccc(CC)o2)n(C)n1	160074930	XFXVVADWZJXGCT-CMDGGOBGSA-N	273.336	2.790	70	20	CFID	
CSC[C@H](CCO)N[C@@H]1c2ccccc2C[C@H]1C	160236607	BYYRBPVKTXEXHP-ZLDLUXBVSA-N	265.422	2.624	70	20	CFID	
N[C@@H]1CCC[C@@H](C(=O)NCCc2cc3ccccc3o2)C1	160487088	PLWPKODGETWBRV-ZIAGYGMSSA-N	286.375	2.609	70	20	CFID	
CCC(CC)CNC(=O)NC[C@](C)(O)[C@H](C)CC	160596191	FSSOWLWTJBHUMR-RISCZKNCSA-N	258.406	2.519	70	20	CFID	
C[C@@H](C(=O)N(C)C[C@H]1CCCOC1)c1ccsc1	159450155	ANYSRWPBGHYVAP-VXGBXAGGSA-N	267.394	2.737	70	20	CFID	
COC(=O)Cc1cccc(NC(=O)c2cccc(C)c2O)c1	159454129	LGZVSNWCLCQAPX-UHFFFAOYSA-N	299.326	2.668	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864242272	ACIMRWTVBILKHQ-ZWNOBZJWSA-N	299.367	2.653	70	20	CFID	
C[C@H](NCCOc1cccc(Cl)c1)c1cnccn1	160253070	VWJFDULFBTTYBZ-NSHDSACASA-N	277.755	2.860	70	20	CFID	
C[C@@H](CC(=O)NC[C@H]1CCOC1)c1ccc(F)cc1F	161104445	POSBCDIFMPQYET-WDEREUQCSA-N	283.318	2.611	70	20	CFID	
CC(C)c1cccc(OCC(=O)N[C@H]2CCC[C@H](N)C2)c1	161115007	QQJSWRFKMHRNLE-GJZGRUSLSA-N	290.407	2.575	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl	161152064	QCLUMPYVQIRWJI-QPUJVOFHSA-N	272.751	2.784	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)CCNC(C)C)cc1	161169244	WRVJYTLRZPZBDM-CQSZACIVSA-N	262.397	2.603	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)N(CCN(C)C)C(C)C	161182978	GRYKUPKWOBMYOD-GFCCVEGCSA-N	295.427	2.584	70	20	CFID	
CCO[C@@H](C)c1nccn1Cc1nccn1C(F)F	161457201	ODCUGMHBYHSZBI-VIFPVBQESA-N	270.283	2.621	70	20	CFID	
c1ccc(N[C@H]2CCN(CCOCC3CC3)C2)cc1	160277810	RGAWVLYJKBGUBQ-INIZCTEOSA-N	260.381	2.599	70	20	CFID	
COc1ccc(C(=O)NCCCC(C)(C)CO)c(C)c1	160387098	PKKOSORIHQECIL-UHFFFAOYSA-N	279.380	2.532	70	20	CFID	
Cc1cc(NC(=O)c2cc(F)cc(Cl)c2O)no1	160441675	FWGXLIDGAMOSTH-UHFFFAOYSA-N	270.647	2.733	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@](C)(O)C2)cc1	160665821	HWSIVGBUNZNVGR-CZUORRHYSA-N	276.380	2.612	70	20	CFID	
CC(=O)Nc1ccc(C(=O)NCC2(C3CC3)CC2)cc1	159848407	QRTKHAJKWUEYSP-UHFFFAOYSA-N	272.348	2.565	70	20	CFID	
CCc1ccc([C@H](C)CC(=O)NCc2ncc[nH]2)cc1	159864032	WJGHXFRZXIZJSF-GFCCVEGCSA-N	271.364	2.782	70	20	CFID	
CCC1(CNC(=O)N(C)CC2CCOCC2)CCC1	159705085	CLRYEICPIYHVBI-UHFFFAOYSA-N	268.401	2.635	70	20	CFID	
COC(=O)COc1ccc(NC(=O)[C@@H]2CC2(C)C)c(C)c1	159929395	FEZLHXYRQJUZNB-LBPRGKRZSA-N	291.347	2.531	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CC=CCC1	159569659	RIPBIHYKOCINBA-UONOGXRCSA-N	263.381	2.951	70	20	CFID	
COc1cc(CNC2(C)CCC2)cc(OC)c1OC	159921671	AEGXIMKEBZOCHZ-UHFFFAOYSA-N	265.353	2.745	70	20	CFID	
Cc1cccc(C)c1CNc1ccc(S(C)(=O)=O)nc1	160414690	ULKXCJWZGZTOCK-UHFFFAOYSA-N	290.388	2.714	70	20	CFID	
CN(Cc1ccc(Cl)c(Cl)c1)Cc1cnnn1C	161137754	LWGFKCJADKYBCS-UHFFFAOYSA-N	285.178	2.754	70	20	CFID	
Cc1nc(C)c(CNC(=O)c2cccc3[nH]cnc23)s1	159689924	BUYKGAOBAIAXMU-UHFFFAOYSA-N	286.360	2.566	70	20	CFID	
Cc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1Cl	160337953	MXNXOASJFKIXAB-UHFFFAOYSA-N	295.766	2.628	70	20	CFID	
Cc1nccc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)n1	160867468	RNZKLYKKNXOYIK-BBRMVZONSA-N	282.391	2.860	70	20	CFID	
CC(C)NCCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C	161096768	LKZZTEQMUPYTQG-SJKOYZFVSA-N	292.398	2.953	70	20	CFID	
CCCCc1nc(Cn2nc(C3CC3)nc2C2CC2)no1	161451227	AFWGBHSMJZFZSX-UHFFFAOYSA-N	287.367	2.807	70	20	CFID	
CCCCOCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1	160305972	KHBCXYAZJQOICU-PMPSAXMXSA-N	296.455	2.620	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)CC2	160321528	KESIIMOMAVDQKX-XJKSGUPXSA-N	298.434	2.857	70	20	CFID	
C[C@@H](CO)CNC(=O)CCc1ccc(C(C)(C)C)cc1	160477474	SMNFXBFJRJTKQM-CYBMUJFWSA-N	277.408	2.661	70	20	CFID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C	160560992	HFWFKTLXRUAPQC-FZMZJTMJSA-N	294.443	2.732	70	20	CFID	
CC[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1	160913238	UUZPEEXCRLNKCW-DLBZAZTESA-N	292.398	2.730	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)Cc1ccoc1C	160979039	XXGZDENUDSUELZ-UHFFFAOYSA-N	282.727	2.739	70	20	CFID	
Cc1cc(C)c2c(c1)[C@@H](NCC(=O)NC(C)C)CCCO2	160984849	ZIKNUKKFSGYXHI-HNNXBMFYSA-N	290.407	2.631	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1cnc(Cl)c(C)c1	159633747	VMTFVEBREGPCNG-SECBINFHSA-N	256.733	2.797	70	20	CFID	
CS[C@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F	159964906	UHNHBFSUOZZACK-VXNVDRBHSA-N	279.283	2.980	70	20	CFID	
Cc1cc(F)c(C(=O)NCCc2ccco2)cc1F	159798023	OCGSBVLPEFNOPP-UHFFFAOYSA-N	265.259	2.839	70	20	CFID	
Cc1ccc(CNc2cccc(C(=O)N(C)C)c2)cn1	159565307	LJGBUOBJWOSGTI-UHFFFAOYSA-N	269.348	2.704	70	20	CFID	
CCN(CCCO)C(=O)c1cc(C(F)(F)F)ccc1F	160471187	KUKXSMAKFHPVKU-UHFFFAOYSA-N	293.260	2.689	70	20	CFID	
CC(C)S(=O)(=O)CCCN1CCCc2ccccc21	160459326	YXZPWZHFUNXBHU-UHFFFAOYSA-N	281.421	2.653	70	20	CFID	
Cc1ccc(OCCCCS(=O)(=O)Cl)cc1	100495407	PFCWWMRUCHELMR-UHFFFAOYSA-N	262.758	2.723	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)SC	159991879	VMXHNGRUWPEDBQ-CABZTGNLSA-N	265.378	2.550	70	20	CFID	
Cc1ccc(NC(=O)C2CC3(CC3)C2)cc1S(=O)(=O)F	857673807	JIPDUUUBIXHTKR-UHFFFAOYSA-N	297.351	2.782	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(C)cn1	161017936	ZGQPWYRLOBYLFW-JSGCOSHPSA-N	261.369	2.826	70	20	CFID	
CCCn1ccc2ccc(NC(=O)[C@H]3CCCNC3)cc21	161282230	OADRDOSIODRGKT-AWEZNQCLSA-N	285.391	2.989	70	20	CFID	
CCOC(=O)c1cccc(NC(=O)NC[C@H](C)SC)c1	160037345	ILPOCRSFGXRBKC-JTQLQIEISA-N	296.392	2.736	70	20	CFID	
CC[C@@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160086384	HOWWWVXGQMETPR-CYBMUJFWSA-N	284.400	2.550	70	20	CFID	
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C(C)C)nc1	160507393	YRRGJBDPCYHPQD-CQSZACIVSA-N	292.379	2.523	70	20	CFID	
CN(C)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCCC1	160676220	CAUZWELPDLZSON-IXDOHACOSA-N	293.499	2.761	70	20	CFID	
Cc1c(C(=O)Nc2cccc(F)n2)oc2c1C(=O)CCC2	160799282	KEMNQMQTGBPBBF-UHFFFAOYSA-N	288.278	2.893	70	20	CFID	
COC(C)(C)C[C@H](C)NC(=O)c1cncc(OC(C)C)c1	160885794	FUJFCHWBPMXSPH-LBPRGKRZSA-N	294.395	2.802	70	20	CFID	
COC(=O)C1(N(C)CCOc2ccccc2F)CCCC1	159438187	YNZFYMZGUPZODW-UHFFFAOYSA-N	295.354	2.622	70	20	CFID	
COc1ccc(NC(=O)N(C)[C@H]2CCSC2)c(OC)c1	159446064	UETLGVRTKGPFTD-JTQLQIEISA-N	296.392	2.673	70	20	CFID	
O=C(NCCCNc1ccccc1)c1cccc2[nH]cnc12	159476765	PORCLAFJCORSCW-UHFFFAOYSA-N	294.358	2.795	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2CC2(Cl)Cl)cc1F	159478351	SEHCWJLIMCNWFH-QMMMGPOBSA-N	292.137	2.991	70	20	CFID	
CCC[C@@H]1CN(C(=O)NCc2cccc(F)c2)CCO1	159682661	QFABHLFAXHVQGQ-CQSZACIVSA-N	280.343	2.536	70	20	CFID	
Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCNC1)C(C)C	159690365	JXDMYDOHMFEQBZ-HOCLYGCPSA-N	274.408	2.808	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)COCCOc1ccccc1	159767115	OJJNFEWVOHEHRM-ZBFHGGJFSA-N	291.391	2.777	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cccc2[nH]ccc12	218185193	HYKWLBOINMIIFY-ZDUSSCGKSA-N	259.397	2.988	70	20	CFID	
C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@@H](C)N1	161204019	JUPPHOCBKIOPSO-AOOOYVTPSA-N	292.379	2.863	70	20	CFID	
C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)F)c1)C1CC1	809281102	QBDPJPJYBRAQKJ-VIFPVBQESA-N	285.340	2.720	70	20	CFID	
C=CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864243810	XDWRSTAWNZJDMG-UHFFFAOYSA-N	299.367	2.819	70	20	CFID	
Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1120865909	ATHHOSHGCLLLCR-UHFFFAOYSA-N	296.323	2.542	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](C)[C@@H]1C	160137472	ONYFCCYXLCASCZ-OLZOCXBDSA-N	284.400	2.548	70	20	CFID	
C[C@@H](c1ccc(-n2ccnc2)cc1)S(=O)(=O)Cl	88251363	RJZGRTVNFBZRKD-VIFPVBQESA-N	270.741	2.502	70	20	CFID	
CCOc1ccc(OCCCCS(=O)(=O)Cl)cc1	100495504	RYIDFWUYEVKQNU-UHFFFAOYSA-N	292.784	2.813	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ccc(O)cc1	161065109	NIIKKYMEWMJUQI-SFHVURJKSA-N	265.334	2.559	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)C2CC=CC2)n1	161182541	GPYDODQFQFLOSH-UHFFFAOYSA-N	282.347	2.939	70	20	CFID	
CCCn1c(C)nnc1COc1ccc(F)cc1C(C)=O	161202937	QTMMHOAKZRTDLU-UHFFFAOYSA-N	291.326	2.917	70	20	CFID	
O=C(CCc1ccc(F)cc1F)NC[C@H]1CCCCO1	161261332	BNAUGNZYGSYUGX-CYBMUJFWSA-N	283.318	2.583	70	20	CFID	
CCN(C(=O)c1ccc(CN)cc1)c1nc(C)cs1	161353791	RIWUJNSGOIMSQW-UHFFFAOYSA-N	275.377	2.577	70	20	CFID	
Cc1ccc2cccc(NC(=O)N3CCC[C@](C)(O)C3)c2n1	161420042	LAWDAQLTIQABJO-KRWDZBQOSA-N	299.374	2.922	70	20	CFID	
COCCCCCNC(=O)Nc1ccn(CCC(C)C)n1	161481016	DPMBYFIWRIELCP-UHFFFAOYSA-N	296.415	2.867	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)o1	160057801	SKHXAAVAPTWKSQ-GFCCVEGCSA-N	263.337	2.810	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1sccc1SC	160353651	CUNRMKAHBFWIMU-QMMMGPOBSA-N	287.406	2.542	70	20	CFID	
C[C@H](Oc1cccc(F)c1)C(=O)N(C)Cc1cccn1C	160376257	IFKAPGNMQOVWCB-LBPRGKRZSA-N	290.338	2.590	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)CCc1ccc(Cl)cc1	160488689	HNFUEZJUQBFUIS-AWEZNQCLSA-N	283.799	2.796	70	20	CFID	
CS[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160596112	LNYOMFKMURNMLU-NWDGAFQWSA-N	271.426	2.736	70	20	CFID	
CC[C@H](NC(=O)[C@H](C)CNC)C(C)(C)c1ccccc1	160761877	RMQBGGOHFOTUPD-HIFRSBDPSA-N	276.424	2.715	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N1CCCN(CC)CC1	159507236	IWAOJGCUDSMZEM-OAHLLOKOSA-N	283.460	2.940	70	20	CFID	
CC(C)N1CC[C@@H](CNCc2cccc3c2NCCC3)C1	159389667	UCDMUSGBKCWFAS-HNNXBMFYSA-N	287.451	2.865	70	20	CFID	
CCC(CC)[C@@H](O)CNc1ccc(C(F)(F)F)nn1	218014534	FXECGYGQKBAORZ-VIFPVBQESA-N	277.290	2.704	70	20	CFID	
COc1c(CNC[C@@H]2CCC[C@H](C)C2)c(C)nn1C	218238160	TWZKONKHZPJMSC-WCQYABFASA-N	265.401	2.653	70	20	CFID	
O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)F)cc1	185107504	SHNLJLXYZBNNRE-VMPITWQZSA-N	295.291	2.590	70	20	CFID	
O=C(NC1CCCC1)N1CCN(c2cccs2)CC1	161431372	XEMFQLSJFHEXGW-UHFFFAOYSA-N	279.409	2.522	70	20	CFID	
CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCCO2)cc1	161440942	HXCXDPCSNZMXPK-HNNXBMFYSA-N	277.364	2.659	70	20	CFID	
C[C@H](NC(=O)Nc1ccccc1Cn1cncn1)C1CCC1	161472466	MIYLOJMCAUAKGE-LBPRGKRZSA-N	299.378	2.637	70	20	CFID	
CCCC[C@@H](COC)NC[C@@](C)(O)c1ccsc1	160033789	TXGQCONZJIEJSK-UONOGXRCSA-N	271.426	2.750	70	20	CFID	
CCCCN(CC)S(=O)(=O)Cc1c(F)cccc1F	160020791	UWSHBCJRKSIYNH-UHFFFAOYSA-N	291.363	2.917	70	20	CFID	
NCCCNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2	160065543	XBKJLJBNJHYHLP-LZLYRXPVSA-N	286.419	2.501	70	20	CFID	
C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)C1CC1	160135751	DGRXJEAXPVYJGZ-CHWSQXEVSA-N	252.402	2.556	70	20	CFID	
CCO[C@H](CC)C(=O)N[C@H]1CCc2c(OC)cccc21	160175944	DIRKZKWPWKDYJG-UONOGXRCSA-N	277.364	2.614	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(N2CCCC2=O)cc1	160226666	IYZXSGQEGCTQJF-UHFFFAOYSA-N	298.386	2.733	70	20	CFID	
COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCCCO1	160261275	BBBHFFXFPRKYIA-AWEZNQCLSA-N	297.782	2.876	70	20	CFID	
CCCN1CCC(NCc2cn3c(C)cccc3n2)CC1	160288170	QTZZNVGAWQAXKG-UHFFFAOYSA-N	286.423	2.607	70	20	CFID	
CCCC1(CNC(=O)c2cccc3c2OCO3)CC1	160437800	MCECXEAFEFCJFD-UHFFFAOYSA-N	261.321	2.725	70	20	CFID	
CC(C)c1ccc(CCCNC(=O)[C@H]2CCCNC2)cc1	159608272	LSTCHSURKJXLER-KRWDZBQOSA-N	288.435	2.858	70	20	CFID	
C[C@@H](NC(=O)[C@H]1CCCCN1)c1ccc(F)cc1Cl	159625255	NMPKIBMDSWIUBV-NOZJJQNGSA-N	284.762	2.798	70	20	CFID	
Cn1ccc(NC(=O)CSc2nccc3ccccc23)n1	159448539	XOGRBRVHAAGDIU-UHFFFAOYSA-N	298.371	2.699	70	20	CFID	
Cc1cc(C)cc(N(C)C(=O)c2cnc3c(c2)ncn3C)c1	159654304	QYHRZQJRYRFYOR-UHFFFAOYSA-N	294.358	2.862	70	20	CFID	
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CNCC1CC1	159527966	SFYWVOXRYLLPCS-GTNSWQLSSA-N	290.382	2.565	70	20	CFID	
CC[C@@H](C(=O)N(C)CCn1cccn1)c1ccc(F)cc1	159951021	BTNPDTYRUJBSSD-OAHLLOKOSA-N	289.354	2.674	70	20	CFID	
CCOc1cccc(NC(=O)N[C@H](COC)C2CC2)c1	159372879	BFHVRSMKXIIGOI-CQSZACIVSA-N	278.352	2.632	70	20	CFID	
COc1ccc([C@@H](CCO)N[C@@H](C)c2ccccn2)cc1	159392026	ZZECISNDHDJTDR-SUMWQHHRSA-N	286.375	2.865	70	20	CFID	
Cc1cc(NCc2nnc3n2CCCC3)ccc1F	217319009	BWKDUEVZBCJUID-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1ccc(OC)cc1OC	217383558	RTVFHJDYXZURTN-CYBMUJFWSA-N	280.412	2.524	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccon2)cc1Cl	160124941	GWPKPQQFDSATTO-UHFFFAOYSA-N	266.684	2.613	70	20	CFID	
CC[C@@H](COC)NC[C@@H](C)COCc1ccccc1	161310394	OBMARFSISPPUMQ-ZBFHGGJFSA-N	265.397	2.854	70	20	CFID	
Cc1cc(C)c(OC(F)F)c(S(=O)(=O)Cl)c1	127697961	DOQAEMHOQXLZDB-UHFFFAOYSA-N	270.684	2.832	70	20	CFID	
CC(C)c1ccc(C(=O)NC2CCN(C(C)C)CC2)cn1	161074227	PQDHYSAHHHKMGT-UHFFFAOYSA-N	289.423	2.808	70	20	CFID	
COc1cc(F)c(C(=O)NCCC(C)C)cc1OC	161196391	FQONRUOXHAGQMR-UHFFFAOYSA-N	269.316	2.619	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)N1CCCCCC1	161199148	ZPFMGDBCILRRAQ-OAHLLOKOSA-N	289.423	2.695	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1Cc1sccc1C	161268372	DYFCSJQHIKUDIN-LBPRGKRZSA-N	267.394	2.974	70	20	CFID	
CCOCCC1(CNC(=O)N2C[C@@H]3CCC[C@H]3C2)CC1	161502073	GBXQSJNWWMFBNI-KBPBESRZSA-N	280.412	2.635	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1C[C@@H]2CC[C@@H]1O2	160118095	CLMLVTDLDZYGAJ-SQNXGDPESA-N	277.389	2.809	70	20	CFID	
CC(C)(C)c1nsc(NCCc2ccc[nH]2)n1	160254356	GHVMVECADVQMHJ-UHFFFAOYSA-N	250.371	2.818	70	20	CFID	
CC[C@H](NC[C@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160391682	OVWMEUDKTIKCOK-DLBZAZTESA-N	292.471	2.971	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NC[C@@H](C1CCCCC1)N(C)C	160402330	ZAYRNOFDPJYZBX-AHCXZYCDSA-N	295.515	2.815	70	20	CFID	
COc1cc(NC(=O)c2cccc(OC)c2O)ccc1F	160407313	PNNSTOWTDIBAEN-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
CCOCCC1(C(=O)NCCOc2ccccc2)CCC1	160581037	MCRUKUUWHXFFHL-UHFFFAOYSA-N	291.391	2.779	70	20	CFID	
CO[C@]1(C)C[C@@H](NC(=O)C[C@@H](C)c2ccncc2)C1(C)C	160953357	AMBJBCBPALRKOJ-SUYBPPKGSA-N	290.407	2.895	70	20	CFID	
Cc1nc(CC(=O)N[C@@H]2CCOC3(CCCC3)C2)cs1	159667147	BCRSJMTYQKFFSM-GFCCVEGCSA-N	294.420	2.602	70	20	CFID	
C[C@@H]1C[C@@H](N[C@H](C)CN2CCOCC2)CC(C)(C)C1	218011395	KJWMZGVXXAOIEO-RBSFLKMASA-N	268.445	2.512	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1CO)c1cc2ccc(F)cc2s1	218050790	NMZUHLMDSHXKEY-JQWIXIFHSA-N	293.363	2.931	70	20	CFID	
CSc1ccc(Cl)c(C(=O)N(C)[C@@H](CN)C2CC2)c1	159867290	SUNFLRZCZJHNEH-ZDUSSCGKSA-N	298.839	2.871	70	20	CFID	
CCc1nc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n[nH]1	160545343	MSMQTEBSCDJIQB-JHJVBQTASA-N	264.417	2.918	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(OC)nn1	161078037	LOWHFAZPXVUGGR-AAEUAGOBSA-N	277.368	2.526	70	20	CFID	
O=C(NCc1cccnc1)c1cc(F)c(Cl)cc1F	161347135	BVWANNZYXAPMTD-UHFFFAOYSA-N	282.677	2.943	70	20	CFID	
CCOC(=O)CC[C@H](C)NC(=O)/C=C/c1ccc(CC)o1	161432068	JTHWXVWLKKMYNZ-VMPCVLLUSA-N	293.363	2.703	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)C1	161462300	QYOFRDXQOWMYOQ-NKWVEPMBSA-N	276.262	2.588	70	20	CFID	
C[C@@H]1CCN(C(=O)[C@@H](C)C2CCOCC2)C[C@H](C)C1	161463790	IQBFWRZXCHRTSU-MCIONIFRSA-N	267.413	2.944	70	20	CFID	
COc1ccc2c(ccn2CC(=O)NCC2(C3CC3)CC2)c1	160040606	XATLIAPBTQNLBZ-UHFFFAOYSA-N	298.386	2.956	70	20	CFID	
CCCn1nccc1CNc1cc(C(=O)NC)ccc1C	160057296	WBUYEXKVTLGVDW-UHFFFAOYSA-N	286.379	2.573	70	20	CFID	
O=C(CCc1ccc(F)cc1)NCCc1cccc(O)c1	160152156	VVTDZNASYKFHJB-UHFFFAOYSA-N	287.334	2.823	70	20	CFID	
Cc1cccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)n1	160173844	WHJPSYZLLSLCFD-HOCLYGCPSA-N	298.386	2.675	70	20	CFID	
C[C@@H](CCO)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl	160994001	IKEUDSHQBFXBPB-CYZMBNFOSA-N	281.783	2.578	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)NCc1nccn1C(F)F	159809177	NTBZKPKASIPQNW-SECBINFHSA-N	274.315	2.512	70	20	CFID	
CC(C)(C)c1nsc(Nc2ccc(OCCO)cc2)n1	159425144	SYGUDSDOSHJSLQ-UHFFFAOYSA-N	293.392	2.950	70	20	CFID	
O=C(NCC1CC1)[C@@H]1C[C@@H]1c1cccc(F)c1F	159643070	PAEJUQUQWJSKFC-GHMZBOCLSA-N	251.276	2.595	70	20	CFID	
COCc1ccccc1NC(=O)NCc1ncccc1F	159879811	OUMUKPKWGPQYJT-UHFFFAOYSA-N	289.310	2.689	70	20	CFID	
Cc1cccc([C@@H]2CCCN2CCC(=O)OC(C)C)n1	159705980	SYPWYWMZFCYCGC-HNNXBMFYSA-N	276.380	2.869	70	20	CFID	
CCc1nn(C)c(CC)c1CNC(=O)C(C)(CC)CC	159379603	NWIFCPDMEJPJSO-UHFFFAOYSA-N	279.428	2.987	70	20	CFID	
COc1c(CNC[C@H]2CCC[C@@H](C)C2)c(C)nn1C	218238091	TWZKONKHZPJMSC-YPMHNXCESA-N	265.401	2.653	70	20	CFID	
c1ccc([C@@H]2CSCCN2CCn2ccnc2)cc1	159829761	ITGMPQVHSUEZHE-HNNXBMFYSA-N	273.405	2.673	70	20	CFID	
CC(C)CO[C@H]1C[C@@H](NCC2(CO)CCCC2)C1(C)C	160106855	CMVOORDXYHSJQC-CABCVRRESA-N	283.456	2.968	70	20	CFID	
Cc1ccn(Cc2noc(C3CCCCC3)n2)c(=O)c1	160835987	XIGNHMQHBZAGBH-UHFFFAOYSA-N	273.336	2.636	70	20	CFID	
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865204917	OPVJSEMKQPVOTB-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
CC[C@]1(C)CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1	864242376	CYNHVFTZXOYSKN-CQSZACIVSA-N	299.367	2.607	70	20	CFID	
COc1ccc(C(C)(C)C(=O)N(C)C2CCC2)cc1	161147563	QPRVSHAPWSOAPW-UHFFFAOYSA-N	261.365	2.984	70	20	CFID	
CCOCCC1(CNC(=O)c2[nH]c(C)cc2C)CCC1	161484285	KYXGWXVWWYRYLU-UHFFFAOYSA-N	278.396	2.958	70	20	CFID	
C[C@H](NCCC(C)(C)O)c1nc(-c2cccc(F)c2)no1	160031987	QUPUPOAWCDPUAB-JTQLQIEISA-N	293.342	2.687	70	20	CFID	
C[C@@H](NCCC(C)(C)O)c1nc(-c2cccc(F)c2)no1	160032108	QUPUPOAWCDPUAB-SNVBAGLBSA-N	293.342	2.687	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccsc1C(=O)OC	160117780	INWBUVCMKSXAEY-ISVAXAHUSA-N	267.350	2.909	70	20	CFID	
COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CCCCO1	160218060	NKPWLOLRVLEVOA-SWLSCSKDSA-N	277.364	2.750	70	20	CFID	
O=C(Nc1ccc(CC(F)(F)F)cc1)[C@H]1CCCNC1	160304491	OOSKZVCPSXAWQA-NSHDSACASA-N	286.297	2.730	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1nc(C2CC2)cs1	160548860	LKTMVIQPPGXVJR-MRVPVSSYSA-N	254.355	2.774	70	20	CFID	
C[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C1CCC1	160568326	UAZODZWIXCCERR-LLVKDONJSA-N	299.378	2.792	70	20	CFID	
CCNC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1	160597012	WMABJSYSMUUNFI-UHFFFAOYSA-N	296.733	2.865	70	20	CFID	
CS[C@H](C)CC(=O)NCCOc1cccc(Cl)c1	159425559	WDBHVEJVPFTQML-SNVBAGLBSA-N	287.812	2.977	70	20	CFID	
CC(C)(C)c1nsc(N2CCc3cnccc32)n1	159851321	XWZGJJGSGREOLQ-UHFFFAOYSA-N	260.366	2.925	70	20	CFID	
COc1cccc2cc(C(=O)Nc3c[nH]c(=O)c(C)c3)oc12	159746207	DHSLESJDBQBUSJ-UHFFFAOYSA-N	298.298	2.690	70	20	CFID	
CCC(CC)C(=O)N1CCC(NC(=O)[C@@H]2CC2(C)C)CC1	159550322	DGUVOOCHOIXBOO-AWEZNQCLSA-N	294.439	2.576	70	20	CFID	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NCC2(C3CC3)CC2)C1	159751137	ZOQWXVRNKGTVLZ-UONOGXRCSA-N	293.455	2.596	70	20	CFID	
Cc1ccc(NC(=O)N(C)[C@@H](CN)C2CC2)cc1Cl	159907879	DTXPEBBIRRCNAV-ZDUSSCGKSA-N	281.787	2.849	70	20	CFID	
CCSCC[C@H](C)NC[C@@H](O)COc1ccccc1	160099948	SUWQFNNSCBONCY-UONOGXRCSA-N	283.437	2.548	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)CCc2ccccc2Cl)C1	161391143	OICCDDNFPWZOLS-STQMWFEESA-N	280.799	2.659	70	20	CFID	
CCCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881735414	JIYXXNWWTNNEOX-UHFFFAOYSA-N	290.316	2.606	70	20	CFID	
CCC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)F)c1	1338259660	FFIXVCGUHXYMAX-NSHDSACASA-N	287.356	2.653	70	20	CFID	
CC(C)=CCC[C@H](C)NCCN1CCC(N(C)C)CC1	160188218	KCSNURWBTSZZMG-INIZCTEOSA-N	281.488	2.737	70	20	CFID	
C[C@@H](CO)N(C)C(=O)C1CCC(c2ccccc2)CC1	160372511	INUSDISUBPMLIJ-JEYLPNPQSA-N	275.392	2.800	70	20	CFID	
CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)C1CCCCC1	160560903	GZLMQGINRIYBSS-HUUCEWRRSA-N	276.428	2.850	70	20	CFID	
CC[C@@H](C(=O)NCc1ccn(C)c1)c1ccc(F)cc1	160734812	QDFQYMSDAYXDMF-OAHLLOKOSA-N	274.339	2.974	70	20	CFID	
Cc1cccc([C@@H](C)NCCCCN2CCC[C@@H]2CO)c1	160756602	BWVMOCCSGSHMGU-SJLPKXTDSA-N	290.451	2.883	70	20	CFID	
COc1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1	159813137	GHIDLQMRPUSBJA-WFASDCNBSA-N	295.404	2.648	70	20	CFID	
C[C@H](OCC1CC1)C(=O)NCCc1cc2ccccc2[nH]1	159543144	OVGZJPJILXQEDF-LBPRGKRZSA-N	286.375	2.642	70	20	CFID	
CCc1ccc(/C=C/C(=O)NC[C@H]2CCCCO2)o1	159371914	JCKHBBDQZXPZQL-MYSGNRETSA-N	263.337	2.541	70	20	CFID	
CCC[C@H](C)CC(=O)N[C@@H](CO)Cc1ccccc1	159963582	AYTKJZHAIXKLAW-DZGCQCFKSA-N	263.381	2.533	70	20	CFID	
C[C@H](Oc1ccccc1)C(=O)NCC1(C2CC2)CC1	159997799	OZSCKZXCJJCWLX-LBPRGKRZSA-N	259.349	2.760	70	20	CFID	
COc1ccc([C@H](C)NC(=O)NCC(C)C)cc1	217269412	ZCTPOHOVWBGJGU-NSHDSACASA-N	250.342	2.711	70	20	CFID	
CCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123108722	KULPQNSRFQXWSB-VIFPVBQESA-N	273.329	2.720	70	20	CFID	
CCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1	460087911	BLVPVXCISLEFNM-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
COc1cc(CNC2CCC3(CC2)OCCO3)ccc1C	161422367	AHBGELNZQQTFQR-UHFFFAOYSA-N	291.391	2.779	70	20	CFID	
CC1(C)CC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241176	MEVBSALUYGGBHQ-NSHDSACASA-N	299.367	2.653	70	20	CFID	
CC[C@@H](CC(=O)NC[C@H]1CCOC1)c1ccc(OC)cc1	161112673	POFCTRBXDHKZPT-KGLIPLIRSA-N	291.391	2.732	70	20	CFID	
CCN1CC[C@@H]2CC[C@@H](C1)N2Cc1c(C)nc2ccccn12	161301142	HHAFDPYWLFHXHA-HOTGVXAUSA-N	298.434	2.701	70	20	CFID	
CC(=O)NC1CCC(NCCc2c(F)cccc2F)CC1	161315247	XKXJRJGFBTWVNB-UHFFFAOYSA-N	296.361	2.544	70	20	CFID	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](C)C1CC1	161419522	MSQGNRWTZAKCDJ-NWDGAFQWSA-N	296.411	2.500	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)Nc2nnc(-c3ccccn3)[nH]2)C1	161482914	OGPYYEBIRYVPNN-QWRGUYRKSA-N	285.351	2.632	70	20	CFID	
C[C@H](NC(=O)NCC1(C2CC2)CCC1)C(C)(C)CN(C)C	160030200	LDDDMYKQCRBQFS-ZDUSSCGKSA-N	295.471	2.842	70	20	CFID	
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1cccnc1	160154988	SWDDFDSIMLDVCU-CJNGLKHVSA-N	287.407	2.666	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCCc3sccc32)n(C)n1	160185079	CXYAMZYGNMJNBW-LLVKDONJSA-N	275.377	2.597	70	20	CFID	
NC(=O)[C@H]1CCCN1Cc1cccc(-c2ccccc2)c1	160351856	RDRVIHLFIWBKLB-QGZVFWFLSA-N	280.371	2.803	70	20	CFID	
CCC(N)(CC)CNC(=O)c1cc(C)n(C(C)C)c1C	160448831	UCCXVGCYJKGZCT-UHFFFAOYSA-N	279.428	2.933	70	20	CFID	
Cc1ccc(C)c(OCCCCC(=O)NC[C@H](C)CO)c1	160486334	ZCHNWNQIUCZETO-AWEZNQCLSA-N	293.407	2.597	70	20	CFID	
CCCC1(CNC(=O)c2c[nH]c3ccccc3c2=O)CC1	160629835	IRZVABXPXFEVIF-UHFFFAOYSA-N	284.359	2.838	70	20	CFID	
Cc1nc(C)c(CNC(=O)C[C@@H](C)c2ccncc2)s1	160692723	WATYCLXDEOBFHA-SNVBAGLBSA-N	289.404	2.965	70	20	CFID	
CC[C@H](O)CCNC(=O)N[C@H](C)c1cc(C)ccc1OC	160803187	LTJWZPDGGOJNIS-OLZOCXBDSA-N	294.395	2.525	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)C1CC=CC1	160815876	LTCDVEJQTIZTFT-SNVBAGLBSA-N	263.362	2.792	70	20	CFID	
COCc1noc(CCCc2sccc2C)n1	160967608	LPBQKIWVQOYIIW-UHFFFAOYSA-N	252.339	2.761	70	20	CFID	
C/C=C(/C)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1	159920076	AUFCXVGJASPUEI-DXCZGNEWSA-N	263.337	2.753	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2	159745107	WYLAYFJFGISVQZ-BXUZGUMPSA-N	288.391	2.562	70	20	CFID	
O=C(Nc1ccc(F)nc1)c1csc([C@@H]2CCCO2)n1	159954323	HGIXTQSBTKJSDK-JTQLQIEISA-N	293.323	2.781	70	20	CFID	
COc1cc(OC)nc(N[C@@H](C)CCc2ccco2)n1	159781526	OROMKOBRAFTTFM-JTQLQIEISA-N	277.324	2.520	70	20	CFID	
CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H](CN)C1CC1	159856025	BLAZZJNMWYKESI-LBPRGKRZSA-N	286.297	2.515	70	20	CFID	
CCN(CCCO)C(=O)c1cccc(OCC(C)C)c1	160522748	VIMKMVKKSQDDKP-UHFFFAOYSA-N	279.380	2.566	70	20	CFID	
COc1ccc(SCCCS(=O)(=O)Cl)cc1	100495422	KZMNKCBXZDFWGV-UHFFFAOYSA-N	280.798	2.746	70	20	CFID	
CCCN(CCO)Cc1cccc(OC)c1OC(C)C	161222861	VCZQCFALDMEGGK-UHFFFAOYSA-N	281.396	2.687	70	20	CFID	
Cc1sc2ncnc(N[C@@]3(C)CCOC3)c2c1C	160006710	AQTFZBBTMNWRND-ZDUSSCGKSA-N	263.366	2.899	70	20	CFID	
Fc1ccc(CSCCN2CCOCC2)c(F)c1	160037526	KOIXMQFMEUOEPW-UHFFFAOYSA-N	273.348	2.530	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCCc3sccc32)on1	160130528	QRFJKWLRPMEHSG-SNVBAGLBSA-N	262.334	2.852	70	20	CFID	
CCc1nc(CN(Cc2cccnc2)Cc2ccco2)n[nH]1	160237937	GBHIWIOWUOLIFH-UHFFFAOYSA-N	297.362	2.558	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)n(C(C)C)c1C	160240718	PNQQWZRONHBXFC-LLVKDONJSA-N	294.395	2.757	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NC[C@@H]1CCN(CC(C)C)C1	160245852	RZSDLGJUTDZXFG-GJZGRUSLSA-N	283.460	2.698	70	20	CFID	
CC[C@H](C(=O)NCc1ccccc1OCC(C)C)N(C)C	160295296	UMVFNIZDIQIHPR-OAHLLOKOSA-N	292.423	2.678	70	20	CFID	
CCc1ccc(CC(=O)N[C@@H](C)CN2CCCCC2)cc1	160360271	QQUJZJLHBZHNRV-HNNXBMFYSA-N	288.435	2.782	70	20	CFID	
CC[C@@H](C(=O)N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1	160409707	NRDMXBDARHIEGF-XHDPSFHLSA-N	289.354	2.930	70	20	CFID	
Cc1ccc(NC(=O)C2CC2)cc1NCc1cn(C)nc1C	160443689	GCBCDIOXJJPKPW-UHFFFAOYSA-N	298.390	2.998	70	20	CFID	
Cn1nncc1CN1CCC[C@@H]1c1nc2ccccc2s1	160701062	QEEJIKAARCTIBA-CYBMUJFWSA-N	299.403	2.762	70	20	CFID	
CCSCc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)cc1	160854680	NNCGBVWHQGCAIO-CABCVRRESA-N	292.448	2.939	70	20	CFID	
CCSCC[C@@H](C)Nc1ncc(C(=O)OC)s1	160871896	MSZKLISTAXLMLW-MRVPVSSYSA-N	274.411	2.873	70	20	CFID	
CC(C)C[C@@H]1CCCCN1C(=O)C[C@H]1CCCN1	160876269	NJHVGIWKIBRFBG-KGLIPLIRSA-N	252.402	2.556	70	20	CFID	
COC(CN1CCC(c2ccccc2C)CC1)OC	160993475	AZYFHRVMTGLJBD-UHFFFAOYSA-N	263.381	2.793	70	20	CFID	
CCCOCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	159426751	RYSWXLMJGSKUOW-GDBMZVCRSA-N	291.391	2.697	70	20	CFID	
CC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1	159669032	BDVODNRTXIDAMQ-LBPRGKRZSA-N	278.421	2.801	70	20	CFID	
Cc1cc(NC(=O)[C@H](C)c2cccc(F)c2)c[nH]c1=O	159479130	NHBRZOZTBPENTF-SNVBAGLBSA-N	274.295	2.565	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@@H](CC)CCO)c1C	159933318	FEQVWOYKZKHOQA-ZDUSSCGKSA-N	296.415	2.522	70	20	CFID	
COCCN(C)CCN[C@H](Cc1ccc(F)cc1)C(C)C	159371851	SHTSYAAHMACZPB-QGZVFWFLSA-N	296.430	2.561	70	20	CFID	
C[C@H](CCn1cccn1)Nc1cccc(C(=O)NC2CC2)c1	159397380	CMIHFABFAGHWRI-CYBMUJFWSA-N	298.390	2.666	70	20	CFID	
CC(C)CNC[C@H]1CCCN1C(=O)OC(C)(C)C	218100292	CWSCPYXMXPIFPI-GFCCVEGCSA-N	256.390	2.632	70	20	CFID	
CCCCc1ccc(C(=O)NC[C@](C)(O)CSC)cc1	217625672	LIZKSBOAKWYFAI-INIZCTEOSA-N	295.448	2.873	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2csc3c2CCCC3)C1	161166350	FFLLTDWCUJTSKR-WDEREUQCSA-N	278.421	2.627	70	20	CFID	
O=S(=O)(Cl)C[C@@H](F)c1ccc(OC(F)F)cc1	1537958975	QXESHYOIWKBMDO-MRVPVSSYSA-N	288.674	2.867	70	20	CFID	
Cc1cccc(CNC(=O)N(CCO)Cc2ccccc2)c1	217314503	UPUTUPMARXNWNW-UHFFFAOYSA-N	298.386	2.699	70	20	CFID	
CCOC[C@@H](O)CN1CCC[C@@H](c2ccccc2)CC1	217183655	AOJXQACARYBMNC-SJORKVTESA-N	277.408	2.654	70	20	CFID	
O=C(COc1ccc(F)cc1)N1[C@H]2C=CC[C@H]1CC2	218696559	HVALLIKATOSRSC-STQMWFEESA-N	261.296	2.524	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCCN2CCCCCC2)C1	160222274	XOLCUAVEMPATRO-LSDHHAIUSA-N	266.429	2.805	70	20	CFID	
O=S(=O)(F)CCN1CCCc2ccc(F)c(Cl)c21	883954333	JEZQPLCJSPOFKM-UHFFFAOYSA-N	295.738	2.531	70	20	CFID	
COc1ccc(NC2CCC(NC(C)=O)CC2)cc1F	161084099	ADUYNPPPFFSPQX-UHFFFAOYSA-N	280.343	2.694	70	20	CFID	
CCCC[C@@H](NCc1cc(F)c(F)cc1F)C(=O)OC	161043336	DLPQGEWENVFZPS-CYBMUJFWSA-N	289.297	2.925	70	20	CFID	
CCN(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCC1	161159060	OWJVQSYSERCAIW-KFWWJZLASA-N	292.423	2.918	70	20	CFID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCC2CC2)C1	161303942	IZITZMDMKSFGCP-ZDUSSCGKSA-N	296.411	2.692	70	20	CFID	
COc1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)cc1N	161396406	HYPBJJFGWNWDSX-FZMZJTMJSA-N	292.379	2.811	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)NCc1ncccc1F	160235180	PFHUWQYPRYYDKK-CMPLNLGQSA-N	265.332	2.599	70	20	CFID	
CC[C@H](NC(=O)CC[C@H]1CCOC1)c1c(C)noc1C	160667716	BXBUKCHGYXHWGY-STQMWFEESA-N	280.368	2.675	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(F)(F)F	160677594	POIHUTGCIOORFU-JGVFFNPUSA-N	263.284	2.839	70	20	CFID	
CCOc1cc(NC(=O)NC[C@H](C)SC)ccc1OC	160956703	MSCCTADGBRGAEX-JTQLQIEISA-N	298.408	2.967	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCNC1CCCCCC1	159671705	BCYKJMFRZODUPS-ZBFHGGJFSA-N	266.429	2.851	70	20	CFID	
CS[C@H](C)CC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1	159483324	WMDONZQCJWQEGT-MGPQQGTHSA-N	286.485	2.612	70	20	CFID	
CCOCCC1(CNC(=O)CCOC(C)C)CCC1	159704486	OZDHZTOLRWWAHM-UHFFFAOYSA-N	271.401	2.515	70	20	CFID	
N[C@@H](C(=O)NC[C@H]1CCc2ccccc21)c1ccccc1	159731466	HEARZBUMLJGJIU-NVXWUHKLSA-N	280.371	2.533	70	20	CFID	
Cc1ccc(C(=O)NCCOc2ccccc2Cl)n1C	159361297	IEDWWAFJTJMEDG-UHFFFAOYSA-N	292.766	2.796	70	20	CFID	
C[C@@H](Cn1ccnc1)NCc1cccc2cc[nH]c12	218105344	LHBRYAKETVRRNU-LBPRGKRZSA-N	254.337	2.543	70	20	CFID	
CC[C@@H](C)CN(C)C[C@@H](O)c1cc(OC)ccc1OC	216913334	MPTOBBQFBNTSSX-IUODEOHRSA-N	281.396	2.715	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)C1CC=CC1	159397485	PZLITZAFXIJOFM-UHFFFAOYSA-N	259.349	2.628	70	20	CFID	
OCC1(CNCc2ccccc2OC(F)F)CCCC1	160095309	VIFGLTBIVHFSAW-UHFFFAOYSA-N	285.334	2.930	70	20	CFID	
Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)ncn1	161374415	HCXAQNILJGEDPE-JTQLQIEISA-N	291.301	2.896	70	20	CFID	
COc1ccc([C@H](C)N(C)C(=O)c2cc(C)ncn2)cc1	161425158	OEEVQTDHJKPXBQ-LBPRGKRZSA-N	285.347	2.627	70	20	CFID	
COCC(C)(C)C(=O)Nc1cnc2ccccc2c1	161438668	SGGNMJAKPMTCHP-UHFFFAOYSA-N	258.321	2.846	70	20	CFID	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)C1=CCCC1	161474197	IBSGAPMCUOKSGB-OAGGEKHMSA-N	253.345	2.799	70	20	CFID	
CCCCCNC(=O)[C@H](C)Sc1ccncc1	160005768	SLVYAYCUHBUQKE-NSHDSACASA-N	252.383	2.869	70	20	CFID	
CCCCNc1ccccc1C(=O)NC[C@H](O)CCC	160026947	ISUKJDMYWFKNTH-CYBMUJFWSA-N	278.396	2.789	70	20	CFID	
O=C(OCc1cc(Cl)c2c(c1)OCO2)[C@H]1CCCCO1	160170215	VMSUFEANCNYQOO-LLVKDONJSA-N	298.722	2.681	70	20	CFID	
Cc1occc1CN(C)C(=O)c1cnc(C(F)(F)F)nc1	160265909	VJKLOBSVFHCDCZ-UHFFFAOYSA-N	299.252	2.669	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N1CCc2ccc(C)cc21	160389327	HPMSRJSYDSSOQZ-NSHDSACASA-N	267.394	2.733	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccc(C)s3)[nH]2)o1	160400389	HZADUEVCHVCNBJ-UHFFFAOYSA-N	288.332	2.995	70	20	CFID	
O=C(NOCc1cccnc1)[C@@H]1C[C@H]1c1ccc(F)cc1	160739358	ARPXUIIXLPZBKH-LSDHHAIUSA-N	286.306	2.572	70	20	CFID	
C[C@@H](C(=O)N(C)Cc1cccn1C)c1ccccc1F	160813849	WKQYKHJFAHAOSD-GFCCVEGCSA-N	274.339	2.926	70	20	CFID	
Cc1ccc(C(=O)N(C)Cc2cccn2C)c(C)c1	160837793	JADWRAWNJDLTOD-UHFFFAOYSA-N	256.349	2.914	70	20	CFID	
C[C@H](CCn1cccn1)Nc1ccc2oc(N(C)C)nc2c1	159472021	NDGYQJOXNPGIBU-GFCCVEGCSA-N	299.378	2.981	70	20	CFID	
CCN(CC)Cc1ccc(CNC(=O)C2(C)CC2)cc1	159553316	PBFZCZDLEMMLQL-UHFFFAOYSA-N	274.408	2.945	70	20	CFID	
COc1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1OC	159388299	BQYYYFKDCKMGBS-NSHDSACASA-N	296.392	2.673	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1cc2ccccc2o1	160320143	IBZNOQYHSCPOTC-UHFFFAOYSA-N	273.332	2.715	70	20	CFID	
CN(Cc1cscn1)C(=O)c1ccc(N(C)C)cc1F	161220701	GODKUWCGXGQHOI-UHFFFAOYSA-N	293.367	2.620	70	20	CFID	
C[C@H](N)CN[C@@H](C)Cc1ccccc1C(F)(F)F	218302564	PDWUBLPQWIGEEV-UWVGGRQHSA-N	260.303	2.573	70	20	CFID	
O=C([C@@H]1CCCNC1)N1CC2(CCCC2)c2ccccc21	161013770	KPIFFNZXXBBQHU-CQSZACIVSA-N	284.403	2.845	70	20	CFID	
O=S(=O)(CCCc1ccccc1)Cc1nccs1	161190887	LPYAHOCARONLFU-UHFFFAOYSA-N	281.402	2.691	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NCCC(=O)NC1CCCC1	161413907	MTOZYYUIPYRERR-HIFRSBDPSA-N	266.429	2.994	70	20	CFID	
CCc1noc(CC)c1CNC(=O)NCC1(C2CC2)CC1	160055900	MEHNQMSDPKSROL-UHFFFAOYSA-N	291.395	2.789	70	20	CFID	
c1ccn2c(CN(CC3CC3)CC3CC3)cnc2c1	160461295	LLNIOLXOMOSRCR-UHFFFAOYSA-N	255.365	2.956	70	20	CFID	
CC(C)(C(=O)NC[C@H]1CCN(C2CC2)C1)C1CCCC1	160668983	KXXLXYQYNFECRU-CYBMUJFWSA-N	278.440	2.803	70	20	CFID	
CCCC1(CNC(=O)CCc2nnc(C(C)C)o2)CC1	160677850	PMIVFZPANLTGIN-UHFFFAOYSA-N	279.384	2.822	70	20	CFID	
CC[C@H](NS(=O)(=O)CC(C)C)c1ccc(F)cc1F	159613863	KYFHXIWBDROPTA-ZDUSSCGKSA-N	291.363	2.991	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1	159817741	PKPHOGNKRAVKPR-MGPQQGTHSA-N	275.396	2.531	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C(=O)Nc2ccccc21	159674300	RZCXIDOBFOJSQI-MRVWCRGKSA-N	286.375	2.807	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159492474	AXUNHYXHWCSUHW-CYBMUJFWSA-N	291.395	2.686	70	20	CFID	
CCc1ccc(/C=C/C(=O)NC[C@@H]2CCCCO2)o1	159371778	JCKHBBDQZXPZQL-VFNNOXKTSA-N	263.337	2.541	70	20	CFID	
CSCCCCC(=O)NCCNC1CCCCCC1	159641979	YHVNCFVDEBFQEP-UHFFFAOYSA-N	286.485	2.948	70	20	CFID	
C[C@@H](CN1CCCC1=O)NCc1cc(F)cc(Cl)c1	160901736	UNAAEJYTWBYYKD-JTQLQIEISA-N	284.762	2.580	70	20	CFID	
C[C@@H]1CN(CCCN2CCCCC2)C[C@@H](C)S1	161379696	SCBXEXUINDNAGM-ZIAGYGMSSA-N	256.459	2.688	70	20	CFID	
CCO[C@@H]1C[C@@H](NCc2nn(C)c3ccccc23)C1(C)C	217879684	CKQVJJGGWWUJBC-HZPDHXFCSA-N	287.407	2.867	70	20	CFID	
CCOc1ccc(CNC(=O)Nc2cccnc2)cc1	217300909	UKOIZEFKZUSJKL-UHFFFAOYSA-N	271.320	2.802	70	20	CFID	
CC[C@@H](NCCCNC(=O)C(C)C)c1ccccc1	159981657	QXVYYGJTFPNNPZ-OAHLLOKOSA-N	262.397	2.890	70	20	CFID	
CC[C@@H](C)NCCCOCc1ccc(OC)cc1	161091013	WCTMLJOXXSNOOA-CYBMUJFWSA-N	251.370	2.990	70	20	CFID	
COCc1noc([C@@H]2C[C@@H]2c2sccc2C)n1	160968656	WTCKXCBAVBPODN-DTWKUNHWSA-N	250.323	2.857	70	20	CFID	
CCCOc1ccc(CCC(=O)NC[C@@H](C)CCO)cc1	161003055	BCALTZHJEVVIBX-AWEZNQCLSA-N	293.407	2.543	70	20	CFID	
CCCCO[C@H](C)C(=O)N1CCc2c(F)cccc2C1	161114599	LGXHPTLJVZOKEG-GFCCVEGCSA-N	279.355	2.916	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)c2cc[nH]c2)o1	161204045	LBMACKOODLHWQD-CYBMUJFWSA-N	274.320	2.731	70	20	CFID	
CC(C)Cc1noc(-c2cccc(-n3ccnn3)c2)n1	161508233	ZJJNKAGLHXHCMD-UHFFFAOYSA-N	269.308	2.516	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC[C@H]1C[C@@H]2C=C[C@H]1C2	160008309	IABQCSOQTOJTIW-MBNYWOFBSA-N	256.349	2.718	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)c1cnsn1	160134666	SLCNETPESLHUMG-VIFPVBQESA-N	278.333	2.773	70	20	CFID	
Cc1nc(Cl)cc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160400387	OVYGYMJIFQFUNP-GHMZBOCLSA-N	267.760	2.808	70	20	CFID	
Cn1cc(NC(=O)C(C)(C)C2CCCC2)ccc1=O	160653713	PUEQYUFYIWSHCC-UHFFFAOYSA-N	262.353	2.540	70	20	CFID	
CCC(CC)(CC)CNC(=O)c1cnc2c(c1)ncn2C	160804067	AEGWAUBZHSEJEV-UHFFFAOYSA-N	288.395	2.915	70	20	CFID	
CCOCCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160901234	ONLFYUMIXSIMNW-CQSZACIVSA-N	283.412	2.801	70	20	CFID	
CO[C@@H](CNC(=O)C[C@H](C)c1ccncc1)C(C)(C)C	160951933	GNSHTPHOZZNKCL-JSGCOSHPSA-N	278.396	2.753	70	20	CFID	
C[C@@H](C(=O)NCCNC1CCCCCC1)c1cccnc1	159638353	RBBOBCDEQNIPSC-CQSZACIVSA-N	289.423	2.614	70	20	CFID	
Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)c[nH]c1=O	159694136	QRHHHJCZPBRLAS-UHFFFAOYSA-N	294.257	2.537	70	20	CFID	
CCCc1nnc(NC(=O)N[C@H](C)C2CCC2)s1	159707329	GTDZKPGKQGKGRF-MRVPVSSYSA-N	268.386	2.801	70	20	CFID	
COC[C@H]1CCCN(c2ccnc(Cc3ccccc3)n2)C1	159518999	KTHHMZXKRIYMQX-INIZCTEOSA-N	297.402	2.930	70	20	CFID	
Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCOC1	159393853	XFZKXJQVVGZGMO-SNVBAGLBSA-N	288.269	2.924	70	20	CFID	
CC[C@@H](C(=O)Nc1ccnn1C)c1ccc(F)cc1	159590966	LVTUCEWJCDWMEL-GFCCVEGCSA-N	261.300	2.692	70	20	CFID	
Fc1ccc(F)c(CN[C@@H]2CCN3CCCC[C@@H]23)c1	217635025	UFGKKDCBHFYLMR-CABCVRRESA-N	266.335	2.681	70	20	CFID	
COc1ccc(C)cc1CN1[C@H]2CC[C@H]1CC(=O)C2	217715386	DBLQIWATZCSBBF-KBPBESRZSA-N	259.349	2.700	70	20	CFID	
CCCCNC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160311302	MEXVDYLGAPDANX-SNVBAGLBSA-N	268.332	2.551	70	20	CFID	
O=C(NCCCNC1CC1)c1cc2ccc(F)cc2s1	161196208	PANLXTCFBBTHJD-UHFFFAOYSA-N	292.379	2.912	70	20	CFID	
CCC[C@@H](C)NC(=O)[C@H](C)N(CC)Cc1ccccn1	161080829	KMINYZHSDWPGEN-KGLIPLIRSA-N	277.412	2.597	70	20	CFID	
CN1CCC[C@@H]1CCN1CC[C@H](c2ccccc2)C1	161505028	CHPWRENIQNIVPD-DLBZAZTESA-N	258.409	2.960	70	20	CFID	
CC(C)=C(C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857675025	YTSXDFWVHYTMNN-UHFFFAOYSA-N	289.303	2.779	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCCCC1	763176032	HSEKSUNTWLTXRZ-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1CCCN1CC(C)C	160401664	OUHSNNQRNFVLOP-IJEWVQPXSA-N	266.429	2.659	70	20	CFID	
CC1(C)CCC(CC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)CC1	161277012	NRQLHKWAKWHDSZ-ZIAGYGMSSA-N	294.439	2.753	70	20	CFID	
CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1	161415436	VIUJVRYSUPBMDL-RBSFLKMASA-N	289.423	2.777	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H](C)C1CC1	160204715	BYIKVNDSNNVXNH-IINYFYTJSA-N	259.349	2.845	70	20	CFID	
CCN(CC(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160247363	XGQSREWWAQVDMZ-KGLIPLIRSA-N	268.401	2.632	70	20	CFID	
COc1ccc(CN(C)Cc2cnc3ccccn23)cc1O	160532602	CHVDUXTYVNFGFT-UHFFFAOYSA-N	297.358	2.681	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N(C)C[C@H]2CCCO2)n1	160558303	WAYKBSPXUIHHSP-CYBMUJFWSA-N	294.399	2.572	70	20	CFID	
CCOc1cc(Cl)ccc1CNC(=O)NCCCF	160738413	SEBMFTXFDUGXLK-UHFFFAOYSA-N	288.750	2.898	70	20	CFID	
C[C@@H](CC(=O)N1CCCCCC1)N[C@H]1CCCSC1	159614260	DRYCDWIPDWZRMZ-KBPBESRZSA-N	284.469	2.653	70	20	CFID	
CCc1ncsc1C(=O)NCc1nc2ccccc2[nH]1	159713222	GYMNJBIFUSVLNT-UHFFFAOYSA-N	286.360	2.512	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1c[nH]c(=O)c(C)c1	159393809	UMUDHUXPFRDVOZ-NWDGAFQWSA-N	288.372	2.795	70	20	CFID	
CCOC(=O)CCCCN(C)OCc1ccccc1	159592840	HVDIEMXDWHOHPJ-UHFFFAOYSA-N	265.353	2.783	70	20	CFID	
CC1(O)CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	161206991	MGZQUCIBIJTOKB-UHFFFAOYSA-N	289.297	2.932	70	20	CFID	
CC[C@H](COCc1cccs1)CS(=O)(=O)Cl	114473114	SMXDCWMHWFSSAO-SECBINFHSA-N	282.814	2.860	70	20	CFID	
CCO[C@@H]1C[C@H](NCc2nn(C)c3ccccc23)C1(C)C	217879820	CKQVJJGGWWUJBC-JKSUJKDBSA-N	287.407	2.867	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864239353	ILDKXMWSDUWBTJ-UWVGGRQHSA-N	287.356	2.509	70	20	CFID	
C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1121186325	MJFYTTJUQXMMJP-LBPRGKRZSA-N	297.351	2.526	70	20	CFID	
CCCCSCCC(=O)NCCN1CCCCCC1	159652246	BIKKTOMZHFUFOT-UHFFFAOYSA-N	286.485	2.902	70	20	CFID	
Cc1ncc([C@@H](C)N[C@H]2CCCSC2)c(C)n1	159562546	RCDLUEWKRDQYKV-PWSUYJOCSA-N	251.399	2.640	70	20	CFID	
CC(C)(C)Cc1cc(NC(=O)C2(N)CCCCC2)n[nH]1	161049534	WBBGIJQVIUSBLN-UHFFFAOYSA-N	278.400	2.598	70	20	CFID	
CC1(NC(=O)NC[C@@H]2CCc3ccccc32)CCC1	161126512	YKMSDLIRXGCGSX-ZDUSSCGKSA-N	258.365	2.958	70	20	CFID	
CCCn1nc(C)c(C(=O)N[C@H](C)c2cccnc2)c1C	161484666	NZPZZOHZMZSLKV-LLVKDONJSA-N	286.379	2.796	70	20	CFID	
NCCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl	160016349	ZIKLCCZRQCBYAQ-QWRGUYRKSA-N	287.190	2.562	70	20	CFID	
O=C(Nc1cc2c(cc1Cl)OCO2)[C@H]1CCCCO1	160338875	BEAQVZIORJUVDY-SNVBAGLBSA-N	283.711	2.576	70	20	CFID	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@@H](C)CO	160561710	YTINNCFAHGOJLD-STQMWFEESA-N	293.407	2.591	70	20	CFID	
CC[C@H](C(=O)N[C@@H](C)CCOC)c1ccc(F)cc1	159608952	NHWMCNJYQVJECY-FZMZJTMJSA-N	267.344	2.861	70	20	CFID	
CCc1noc(C)c1CNc1ccc(Cl)cc1C(N)=O	159417923	WGALNIHMNGODTB-UHFFFAOYSA-N	293.754	2.910	70	20	CFID	
Cc1cccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c1C	159638687	OXCUUWIAGQVZPW-CYBMUJFWSA-N	286.379	2.784	70	20	CFID	
Cc1cccc(C)c1OCCN(C)C[C@H]1CCC[C@@H]1O	159844436	QSJLQODXHISXGL-CVEARBPZSA-N	277.408	2.775	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2ccccc2C)[nH]n1	159961893	AYPYFTMCAVFTDD-UHFFFAOYSA-N	293.392	2.862	70	20	CFID	
Cc1cc(C(=O)NCCc2ccncc2C)cc(Cl)n1	159399198	JFPAHUWBGFTBSA-UHFFFAOYSA-N	289.766	2.719	70	20	CFID	
COc1cccc(-c2ccc(S(=O)(=O)F)c(F)n2)c1	536953371	LLATWRCQSIABEV-UHFFFAOYSA-N	285.271	2.555	70	20	CFID	
Cc1noc(C)c1CC(=O)N1CCc2c(F)cccc2C1	161004628	YSBFNNSUHHVUBF-UHFFFAOYSA-N	288.322	2.558	70	20	CFID	
Cc1ccc(S[C@@H](C)C(=O)N[C@@H](CO)CC(C)C)cc1	161007035	UIVZEWMACLFDPG-UONOGXRCSA-N	295.448	2.999	70	20	CFID	
CC(C)c1cccc(OCC(=O)N[C@@H]2CCC[C@H](N)C2)c1	161114921	QQJSWRFKMHRNLE-LSDHHAIUSA-N	290.407	2.575	70	20	CFID	
COc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)cc1F	161443739	XNESVTHLZDSDNE-NXEZZACHSA-N	251.301	2.847	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2[nH]cnc2c1	160046166	ZQXXFEGPFWFHCW-CYBMUJFWSA-N	299.374	2.785	70	20	CFID	
C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2CCOC3(CCCC3)C2)O1	160143726	HRDLQFQLGJSAHD-KFWWJZLASA-N	295.423	2.942	70	20	CFID	
C[C@H]1CCC[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1	160214529	ZGJQEHDMERUBRH-NWDGAFQWSA-N	286.379	2.524	70	20	CFID	
CC1(C)CCCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160269159	IIVQJRWNWMERLU-CHWSQXEVSA-N	266.385	2.528	70	20	CFID	
CCCC1(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)CC1	160516827	PTMIGYUCZLQDCA-CYBMUJFWSA-N	294.439	2.768	70	20	CFID	
CCCCN(CC(F)(F)F)C(=O)CO[C@@H](C)CC	160567084	RSDOCGHQODRCRY-JTQLQIEISA-N	269.307	2.993	70	20	CFID	
COC[C@H](NCC(C)(C)O)c1cccc(C(F)(F)F)c1	160628121	NKCFYZZTKQRJRR-LBPRGKRZSA-N	291.313	2.753	70	20	CFID	
Cn1cc(C(=O)Nc2cccc(F)n2)c(C(C)(C)C)n1	160848117	TYRDBGVTRGTTHE-UHFFFAOYSA-N	276.315	2.504	70	20	CFID	
COCCCCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160914764	YKRDTJDQUIDFTN-AWEZNQCLSA-N	283.412	2.801	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C[C@@H]1CCCN1	159529125	PAPAAJWOFFRAPH-PEBVRCNWSA-N	290.382	2.707	70	20	CFID	
CSC[C@@](C)(O)CNC(=O)CCCC1CCCCC1	217681307	ZTANWBSOEAJSGE-HNNXBMFYSA-N	287.469	2.967	70	20	CFID	
C[C@@H]1C[C@H](N)CCN1Cc1cccc2cccnc12	159450618	CAOVVNCVIPSVTL-IUODEOHRSA-N	255.365	2.546	70	20	CFID	
CCC(N)(CC)CNC(=O)c1cc(C)sc1C	160455323	NDRHPDNAQKJCSQ-UHFFFAOYSA-N	254.399	2.612	70	20	CFID	
CCc1cc(O)nc(CN(C)[C@H](C)c2cccs2)n1	160880285	ZLIZWYCUFWNHFM-SNVBAGLBSA-N	277.393	2.999	70	20	CFID	
Cc1nccn1CCCN1CCN(C)C[C@@H]1c1ccccc1	161329737	MJLNYHRYGPVXKB-GOSISDBHSA-N	298.434	2.570	70	20	CFID	
CCCn1nc(C)c(C(=O)N(C)Cc2ccco2)c1C	161411526	FPSHLFFJWHBKKU-UHFFFAOYSA-N	275.352	2.775	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)CC2	160321914	KESIIMOMAVDQKX-CJNGLKHVSA-N	298.434	2.857	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cc(C)sc1C)CC2	160332850	FVRANQVEUGJKTC-GXFFZTMASA-N	290.436	2.930	70	20	CFID	
C[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccn2C)[C@H](C)C1	160450262	FIONXFQQLBWSOB-NFAWXSAZSA-N	277.412	2.991	70	20	CFID	
O=[S@@](Cc1nccs1)c1ccc2c(c1)OCCCO2	160641246	FWLUAJGVLXBSLN-LJQANCHMSA-N	295.385	2.612	70	20	CFID	
CCCC(O)(CCC)CC(=O)Nc1ccc(N(C)C)cn1	160884880	KUTWCRBYRGWRRP-UHFFFAOYSA-N	293.411	2.808	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CCCC(=O)N(CC)CC	159806438	KGBOOYIYPQIEMA-KBPBESRZSA-N	282.428	2.720	70	20	CFID	
Cc1n[nH]c2ncc(NC(=O)CC3CCSCC3)cc12	159646856	FVFIKOJHMYDSMT-UHFFFAOYSA-N	290.392	2.738	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(C(=O)NC(C)C)cc1	159668833	MXMPQDJOIYFEAB-GFCCVEGCSA-N	292.379	2.578	70	20	CFID	
CS[C@@H](C)C(=O)N[C@H]1CCCc2sccc21	159932143	PVOCUKZYLGSAKL-WPRPVWTQSA-N	255.408	2.993	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)[C@H]2CCn3ccnc3C2)cc1	159381184	RUTLTASGOGBTLL-ZFWWWQNUSA-N	283.375	2.631	70	20	CFID	
COc1ccc(C)cc1CN[C@@H]1CCN2CCCC[C@@H]12	217690133	BUYQETWKZBWRKD-CVEARBPZSA-N	274.408	2.720	70	20	CFID	
CC[C@@H](Nc1ccc(N2CCCC2)c(F)c1)C(=O)OC	159536086	ANJQVZFJXXMIAI-CYBMUJFWSA-N	280.343	2.789	70	20	CFID	
CCOC(C)(C)CNC(=O)Nc1ccc(C(C)=O)cc1	159716480	FDKXIOQZODELDR-UHFFFAOYSA-N	278.352	2.826	70	20	CFID	
COC(=O)c1ccc(CN[C@@H]2CCOC(C)(C)C2)cc1	159985886	UGHJHQQIUBPLJR-CQSZACIVSA-N	277.364	2.520	70	20	CFID	
CCc1ccccc1C(=O)NCCCc1cn[nH]c1C	160094545	KLGQLTKWQXBDPI-UHFFFAOYSA-N	271.364	2.643	70	20	CFID	
CC(C)(C)CC(=O)N1CCN(CCC(F)(F)F)CC1	218664641	JINRGYZYOGDXJF-UHFFFAOYSA-N	280.334	2.519	70	20	CFID	
CC(C)OC[C@@H](CS(=O)(=O)Cl)C(C)(C)C	114478241	VDHGZGCQSKJXRA-VIFPVBQESA-N	256.795	2.642	70	20	CFID	
CCC(CC)(COC1CCC1)CS(=O)(=O)Cl	114473790	LHZWZUHNIKQTPG-UHFFFAOYSA-N	268.806	2.931	70	20	CFID	
C[C@H](N)CN[C@H](C)Cc1ccccc1C(F)(F)F	218302620	PDWUBLPQWIGEEV-VHSXEESVSA-N	260.303	2.573	70	20	CFID	
CC1(C)C[C@H](NC(=O)NCCCc2ccccc2)CCO1	161014265	MGVKRFOGEKYBHS-OAHLLOKOSA-N	290.407	2.876	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)CC1(C)CCCCC1	161149243	NMBDPOAAYRFRCW-ZDUSSCGKSA-N	255.402	2.870	70	20	CFID	
Cc1nc2ccccc2cc1C(=O)N[C@H](CO)CC(C)C	161180755	RVILMGRPGFULBL-AWEZNQCLSA-N	286.375	2.680	70	20	CFID	
CCN1CC[C@H](NCCOc2ccccc2C)[C@H](C)C1	161329474	HNNBBESTKBSMGP-CVEARBPZSA-N	276.424	2.694	70	20	CFID	
Cn1cccc1C(=O)COc1ccc2[nH]ccc2c1	160020133	CGBGYHCBFGHODQ-UHFFFAOYSA-N	254.289	2.768	70	20	CFID	
CSc1cc(C(=O)NCCN(C)C(C)C)ccc1F	160137942	WJKAZVBRPIXOTH-UHFFFAOYSA-N	284.400	2.618	70	20	CFID	
Cc1noc(C)c1CCSCCOC[C@@H]1CCCO1	160146963	ZVGARMUDFIFAGQ-ZDUSSCGKSA-N	285.409	2.763	70	20	CFID	
CCN(CCCNC(=O)C(C)(C)COC)c1ccccc1	160406280	AVWNQRDHDYKTAO-UHFFFAOYSA-N	292.423	2.692	70	20	CFID	
Cc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c(C)c1	160489934	ZYZAXDOLXGWWNV-ZFWWWQNUSA-N	284.407	2.869	70	20	CFID	
Cc1nc(C)c(C(=O)NC[C@H]2CCCN2CC(C)C)s1	160536426	QYYGSUVNDWALMF-CYBMUJFWSA-N	295.452	2.610	70	20	CFID	
c1ccc([C@@H]2C[C@@H](Nc3ncccn3)CCO2)cc1	160617363	QZVKBYMQSWSAEX-KBPBESRZSA-N	255.321	2.809	70	20	CFID	
Cc1ccccc1OCCCC(=O)N[C@@H](CCO)C(C)C	160650358	JRYUXOPGSFCJCY-HNNXBMFYSA-N	293.407	2.677	70	20	CFID	
CN(C)c1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1	160660605	XOVQQALBXJXSRF-GJZGRUSLSA-N	298.390	2.875	70	20	CFID	
CCc1cc(O)nc(CN(C)Cc2ccc(F)c(F)c2)n1	160727765	CURCQCJKXJECRT-UHFFFAOYSA-N	293.317	2.655	70	20	CFID	
FC(F)(F)CCCCSCCN1CCOCC1	159850736	RNNOSQHDUVRORA-UHFFFAOYSA-N	271.348	2.784	70	20	CFID	
O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccccc1	159478890	NOVCFBWHMUKHGF-UHFFFAOYSA-N	296.248	2.663	70	20	CFID	
CCCCSCCC(=O)NCCN1CCC(C)CC1	159876644	ACBZPXSALSHERS-UHFFFAOYSA-N	286.485	2.758	70	20	CFID	
CC(C)=CCOc1ccc(CC[C@@H](C)NCCO)cc1	159680677	GLBMNTCXVMJEGN-OAHLLOKOSA-N	277.408	2.935	70	20	CFID	
CCCSCC(=O)NCCOc1ccccc1Cl	159378092	AXUADIPZNMCUGM-UHFFFAOYSA-N	287.812	2.978	70	20	CFID	
CC[C@H](C)[C@@H](C)NC[C@@H](O)COc1ccc(F)cc1	218774132	ZFHJRBAHTCAKKW-OUCADQQQSA-N	269.360	2.590	70	20	CFID	
OCC1(CNCc2cccc3c2NCCC3)CCCC1	160106995	KDEFEWOHTPFFSW-UHFFFAOYSA-N	274.408	2.687	70	20	CFID	
CC[C@H](CCO)NC(=O)c1oc2ccccc2c1C	160106829	JGXWRBGDCUQDAS-LLVKDONJSA-N	261.321	2.632	70	20	CFID	
CCCC1(CNC(=O)c2cccc3cn[nH]c23)CC1	160615017	RZPKMQGGNBLKGL-UHFFFAOYSA-N	257.337	2.873	70	20	CFID	
C[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C1CCC1	460096323	XACIIJJTKVGVQZ-VIFPVBQESA-N	285.340	2.720	70	20	CFID	
CCCN(CCO)Cc1ccc(OC)c(OCC(C)C)c1	161193468	CINCMXGESUNNCW-UHFFFAOYSA-N	295.423	2.934	70	20	CFID	
CCn1cc([C@@H](C)NCc2ccc(OC(C)C)nc2)cn1	160035814	VPKLIPCLHWVSNY-CYBMUJFWSA-N	288.395	2.936	70	20	CFID	
CCCN1CCC(NC[C@@H](C2CCCCC2)N(C)C)CC1	160386032	SLBUFHGUFMTLTF-SFHVURJKSA-N	295.515	2.961	70	20	CFID	
CC[C@H](NCCNC(=O)C(C)C)c1ccc(F)cc1F	160660900	GNWBFEMKJUPVLC-AWEZNQCLSA-N	284.350	2.778	70	20	CFID	
CCC[C@H]1C[C@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160904335	LJRCUODIUROGFK-DTWKUNHWSA-N	290.289	2.756	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnc2c(c1)c(C)nn2C	159638071	UOZFVEPDJVEJHT-SMDDNHRTSA-N	286.379	2.585	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC2CC=CC2)n1	159937752	YCBYFTNMOROFLV-UHFFFAOYSA-N	262.357	2.769	70	20	CFID	
Cc1cc(NC(=O)c2csc(C(C)C)n2)c[nH]c1=O	159362726	WPGPBLMOFPYNIK-UHFFFAOYSA-N	277.349	2.516	70	20	CFID	
CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CCCNC1	159756688	XNXNVVBESNOFGN-HZPDHXFCSA-N	274.408	2.842	70	20	CFID	
CSC[C@](C)(O)CNC(=O)c1ccc(C(C)C)cc1	217630327	FNXLTSKTVKSMLX-OAHLLOKOSA-N	281.421	2.654	70	20	CFID	
CO[C@]1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCOC1	160105057	FAAABRNCYSLGLC-SRVKXCTJSA-N	281.318	2.503	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@H]1C1CCCCC1	160424699	UFIHYLQXGJFLDH-KBPBESRZSA-N	266.429	2.837	70	20	CFID	
CC[C@@H]1CCCC[C@H]1OCCS(=O)(=O)Cl	112356565	SYLJYMSMNQKNDG-NXEZZACHSA-N	254.779	2.540	70	20	CFID	
c1cc(N2CCN(CC3CCCCC3)CC2)ccn1	161343198	KWTGVQBSCYFJFC-UHFFFAOYSA-N	259.397	2.784	70	20	CFID	
CC(C)NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	160409377	NPRHXWHAHMTMNB-LBPRGKRZSA-N	296.411	2.548	70	20	CFID	
O=C(NC[C@H]1CCCO1)c1cc(F)c(Cl)cc1F	160645200	JFMVBNQQVHSUTJ-SSDOTTSWSA-N	275.682	2.527	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)NC[C@@]1(O)CCSC1	160217517	DFRVCJBOLUPGFB-DOMZBBRYSA-N	285.453	2.577	70	20	CFID	
CCCCn1ncc(C(=O)N2CCC[C@@H](C)C2)c1C	160925557	GAJOCTJIPPGDGI-GFCCVEGCSA-N	263.385	2.864	70	20	CFID	
CCCCSCCC(=O)NCCN1CCCCC1	159890226	SATZDUYQDVIIOD-UHFFFAOYSA-N	272.458	2.512	70	20	CFID	
O=S(=O)(Cc1ccc(Cl)cc1)Cc1nccs1	161147723	WLRQJNVIJGNAAF-UHFFFAOYSA-N	287.793	2.912	70	20	CFID	
Cc1ccc2cc(C(=O)N3CCC[C@@H](N(C)C)C3)ccc2n1	161480937	ICLUPDHMLXUCIT-MRXNPFEDSA-N	297.402	2.709	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CC[C@@H]1CCCO1	160225842	CAZRYOVJRDLPKJ-WFASDCNBSA-N	289.375	2.758	70	20	CFID	
CC1=C(C(=O)N[C@@H](C)c2cccc(O)c2)CCCO1	160258348	QDIRUGLODDTGFC-JTQLQIEISA-N	261.321	2.654	70	20	CFID	
Cc1cccc2c1N(C(=O)[C@H]1CCCCO1)CCC2	160401395	BWWUMNRXILERMH-CQSZACIVSA-N	259.349	2.843	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@H](C)COc1cccc(C)c1	160573376	ICOJVRLEFXHBLU-KGLIPLIRSA-N	279.380	2.694	70	20	CFID	
O=C(NCCOc1ccccc1Cl)c1ccccn1	159447716	GGOUTLDMZLZMQK-UHFFFAOYSA-N	276.723	2.544	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)CCc1ccccc1	159846408	JEVZLZPNHBPAJN-UHFFFAOYSA-N	292.766	2.880	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCOC[C@H]1C	159857808	ZHUSAHMBFBTWJM-SECBINFHSA-N	292.766	2.991	70	20	CFID	
CCN(C(=O)c1ncn(-c2ccccc2)n1)C1CCCC1	159782609	YCCLWLWBDXWAKK-UHFFFAOYSA-N	284.363	2.672	70	20	CFID	
CN(C(=O)c1ccc2ccccc2c1)[C@@H](CN)C1CC1	159892999	OIOKPNUSTREVML-INIZCTEOSA-N	268.360	2.649	70	20	CFID	
CCC[C@@H](NCC(C)(C)O)c1ccc(OC)cc1	160595902	KULZSVKNMHBZAW-CQSZACIVSA-N	251.370	2.897	70	20	CFID	
COC[C@H](NC[C@H](C)COCc1ccccc1)C1CC1	161315977	UXMNLZOTNJQMQX-YOEHRIQHSA-N	277.408	2.854	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1nc(C)cc1C	161052123	LKACUSMZCXAHBT-GJZGRUSLSA-N	277.412	2.927	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)SC)o1	161326839	RLLICCMCYYSNSR-ZYHUDNBSSA-N	283.393	2.841	70	20	CFID	
CCOC(=O)C1CCN(C(=O)c2cccc(C)c2F)CC1	161388864	FXHDBLDRSSGNJB-UHFFFAOYSA-N	293.338	2.549	70	20	CFID	
CN(C(=O)CCc1ccoc1)c1ccc2c(c1)OCO2	160321581	YJDZFWGMXWMYAW-UHFFFAOYSA-N	273.288	2.604	70	20	CFID	
CCc1cc(NC(=O)N(C)OCc2ccccc2)n(C)n1	160420380	MFTLQLIMRPEVSD-UHFFFAOYSA-N	288.351	2.578	70	20	CFID	
C[C@@H]1SCCN(Cc2cnc3ccccn23)[C@H]1C	160501437	CZQYNDZBWHTNCY-RYUDHWBXSA-N	261.394	2.660	70	20	CFID	
Cc1csc(CCCCN[C@H]2CCN(C)[C@H](C)C2)n1	160644046	FUUKSMRQEVFZKW-KGLIPLIRSA-N	281.469	2.847	70	20	CFID	
N[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1	160677928	XLJVKWKHANBTSF-WCQYABFASA-N	292.354	2.680	70	20	CFID	
CCCC(=O)Nc1ccccc1-c1nc(CC)n[nH]1	160981706	YQMDDWJAGOHRQP-UHFFFAOYSA-N	258.325	2.773	70	20	CFID	
C[C@@H]1OCCN(C(=O)NCC(C)(C)c2ccccc2)[C@H]1C	159879579	OPQYKSSOKOUSMC-KBPBESRZSA-N	290.407	2.783	70	20	CFID	
CCC[C@@H](C)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159689551	YQONCSPUXIQTHL-SECBINFHSA-N	290.285	2.785	70	20	CFID	
O=C([C@H](Cc1ccccc1)NCc1ccco1)N1CCCC1	159932989	IQKJMJPOJIQQKH-KRWDZBQOSA-N	298.386	2.603	70	20	CFID	
CC[C@@H](NC(=O)c1cccc(C)n1)c1c(C)noc1C	159962495	CCZCLBFIHYWASC-GFCCVEGCSA-N	273.336	2.876	70	20	CFID	
CC1(C)C[C@@H](NC(=S)Nc2ccccc2)CCO1	159589706	WOXDUZZZGLXCJS-LBPRGKRZSA-N	264.394	2.931	70	20	CFID	
Cc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2CO)cc1Cl	217909927	GVVUPVCKHBBGEV-UKRRQHHQSA-N	295.810	2.858	70	20	CFID	
COc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1F	160081594	LCVYXHJBDWXJDB-JQWIXIFHSA-N	264.344	2.871	70	20	CFID	
CS[C@H](C)C(=O)N[C@@H]1CCCc2sccc21	159932019	PVOCUKZYLGSAKL-PSASIEDQSA-N	255.408	2.993	70	20	CFID	
CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1349546014	HIODBBULJMQUPW-DGCLKSJQSA-N	299.367	2.509	70	20	CFID	
CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	161054702	TYMSFHKSOZJNNX-OWCLPIDISA-N	274.408	2.641	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1CCCNC1	161097687	RHFUAWCNLNCULX-XHBSWPGZSA-N	290.382	2.565	70	20	CFID	
Cc1ccc(CCCC(=O)N[C@H]2CCC[C@@H](N)C2)s1	161226297	UOCIVSPLMZBSPM-OLZOCXBDSA-N	280.437	2.765	70	20	CFID	
CC(C)C[C@H](N)C(=O)NC[C@H](C)Oc1cccc(Cl)c1	161403016	FESLBNGERRIKFR-FZMZJTMJSA-N	298.814	2.597	70	20	CFID	
CC[C@@H](C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160424169	KPNLBAOHOUCUDY-BXUZGUMPSA-N	278.352	2.774	70	20	CFID	
CCC(=O)c1cccc(NC(=O)CN2CCC(C)CC2)c1	160724231	GARAUQPXTVOWBZ-UHFFFAOYSA-N	288.391	2.950	70	20	CFID	
C[C@]1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCCO1	160948829	WUCMQUACFQSQNM-DZGCQCFKSA-N	281.396	2.554	70	20	CFID	
CC(C)CCCNC(=O)N1CCOC2(CCCC2)C1	159615465	OFKKQFPZCWZMER-UHFFFAOYSA-N	268.401	2.777	70	20	CFID	
CCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159430559	RWIKQGSMQWUCNM-WDEREUQCSA-N	284.350	2.920	70	20	CFID	
C[C@H](NC[C@@H](C)N1CCc2sccc2C1)[C@@H]1CCOC1	159851923	KEABZKZBYMNPRE-VNHYZAJKSA-N	294.464	2.509	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCO[C@@H](CC)C2)c1C	159682548	CEIAKARQMDHHQS-ZDUSSCGKSA-N	294.399	2.634	70	20	CFID	
COc1cccc(CC(=O)NCC2(C3CC3)CC2)c1	159693759	GKXRUNHKXNSUMM-UHFFFAOYSA-N	259.349	2.544	70	20	CFID	
CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCN(C(C)=O)C1	159546580	YMXUCQCZIFSUNI-HOTGVXAUSA-N	294.439	2.720	70	20	CFID	
COc1ccc(OC)c(N[C@H](C)CCn2cccn2)c1	159391495	PVNYCKWZXOVILU-GFCCVEGCSA-N	275.352	2.791	70	20	CFID	
CC[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)OC	159515435	RSECRCQURUJHTE-ONGXEEELSA-N	287.306	2.890	70	20	CFID	
C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCC[C@H](N)C1	159769854	HMHJXLDFIOHPPY-UPJWGTAASA-N	254.418	2.835	70	20	CFID	
Cc1c(N)cccc1C(=O)OC[C@H]1CCC(C)(C)O1	160780203	AJZOTKHXHYAEQQ-LLVKDONJSA-N	263.337	2.692	70	20	CFID	
CNCCCN(C)C(=O)c1cc2ccc(F)cc2s1	160953222	DRAWTNYZKNDTFR-UHFFFAOYSA-N	280.368	2.722	70	20	CFID	
CCSCCN(C)Cc1cccc(N(C)C)c1	159853180	MGNDBCYWTRLUIQ-UHFFFAOYSA-N	252.427	2.938	70	20	CFID	
CCCC(O)(CCC)CC(=O)N[C@@H](C)C[C@H]1CCCO1	161147769	KFFVIEOBDGQTIT-UONOGXRCSA-N	285.428	2.782	70	20	CFID	
CNC[C@@H](C)C(=O)N(CC1CCC1)c1ccccc1	161438365	NVIJCZLJAVZCBD-CYBMUJFWSA-N	260.381	2.675	70	20	CFID	
C[C@H](N)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C	160073357	BFMGYLUCCGFUCA-WCQYABFASA-N	254.418	2.835	70	20	CFID	
Cn1cc(NC(=O)C[C@H]2CCCCC2(C)C)ccc1=O	160095671	YTHMZQAWMCHPTM-GFCCVEGCSA-N	276.380	2.930	70	20	CFID	
COc1cc(CNC(=O)N2CC[C@H](C)[C@@H](C)C2)ccc1O	160161133	GVVVBLFWKATZHM-RYUDHWBXSA-N	292.379	2.588	70	20	CFID	
CC(C)=CCC[C@H](C)NCCCCN1CCC[C@@H]1CO	160689754	AUYKQVOISNYYDW-DLBZAZTESA-N	282.472	2.948	70	20	CFID	
C[C@H](CNC(=O)N[C@H]1CCOC(C)(C)C1)c1nccs1	159631792	YUYZGDQEZQEUBG-MNOVXSKESA-N	297.424	2.503	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)C1	159452816	ZBSFGEQTQUJSBT-RISCZKNCSA-N	284.363	2.780	70	20	CFID	
Nc1nnc(SCC(=O)CCC2CCCC2)s1	159916588	VVDGUVKBTQDOSM-UHFFFAOYSA-N	271.411	2.752	70	20	CFID	
C[C@H](O)CN(C)[C@@H](C)c1ccc(Br)cc1	159566228	PUGCNAXEQFMZFH-UWVGGRQHSA-N	272.186	2.823	70	20	CFID	
O=S(=O)(Cl)CCCOc1ccccc1Cl	100495524	NDPLKVXUGITVOA-UHFFFAOYSA-N	269.149	2.678	70	20	CFID	
C[C@@H]1C[C@@H](NCCO)c2cccc(Br)c21	159707001	QTXGXCJEDOVNNH-LDYMZIIASA-N	270.170	2.579	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H](C)c1cccc(F)c1	159979301	XXEVAOYAQXELIZ-LBPRGKRZSA-N	266.360	2.639	70	20	CFID	
CCCC[C@@H](COC)NC[C@H]1CCCCN1CC	161191558	OQSMVPSYARJZIQ-LSDHHAIUSA-N	256.434	2.656	70	20	CFID	
CC[C@@H](NC(=O)C1CCNCC1)c1ccc(F)cc1F	161207970	YKEFPHHZMPRSEQ-CQSZACIVSA-N	282.334	2.532	70	20	CFID	
COc1ccc(NC(=O)[C@@H](C)OCCC(C)C)cc1N	161226879	HRGQAKDUIKWRFK-LLVKDONJSA-N	280.368	2.667	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)N(C)C[C@@H]2CCCCO2)C1	161427720	LTRDIXRKRGIISH-IHRRRGAJSA-N	253.386	2.840	70	20	CFID	
CCC[C@H](C)CS(=O)(=O)NCC1(C2CC2)CC1	160194163	HFHALOFVGIQJLG-NSHDSACASA-N	259.415	2.532	70	20	CFID	
C[C@@H](N)[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160196881	VWGVGYXHSHPERB-NNKSGKNISA-N	290.451	2.787	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1ccc2ncccc2c1	160224839	HWMNXRIVBBBNNN-UHFFFAOYSA-N	292.338	2.913	70	20	CFID	
CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccn(C)c1	160288242	OWNDMAUTMKXDBK-AWEZNQCLSA-N	275.396	2.568	70	20	CFID	
C[C@H](NC[C@H](C1CCCCC1)N(C)C)C1CCN(C)CC1	160422503	VDVFQNGOUAJVTJ-MAUKXSAKSA-N	295.515	2.817	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N[C@@H](CO)CC(C)C)c1	160633630	CCRVHHAHTBFZDP-MRXNPFEDSA-N	277.408	2.759	70	20	CFID	
CC[C@H]1CN(C(=O)C[C@@H](C)c2ccncc2)CCS1	160836720	VFYYLGKJJWRTAP-OCCSQVGLSA-N	278.421	2.929	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnn(CC)c1	160842711	WYCSEVCVEOENML-JSGCOSHPSA-N	263.385	2.944	70	20	CFID	
O=C(Cc1ccc(Br)c(F)c1)NCC(F)F	159416862	NOBIWBOKWKGNGB-UHFFFAOYSA-N	296.086	2.512	70	20	CFID	
Cc1cc(C)cc(CCN[C@@H]2CCN(C)C[C@@H]2C)c1	159476756	UXIDZJVCFPPLTA-DOTOQJQBSA-N	260.425	2.776	70	20	CFID	
Cc1cnccc1CCNC(=O)NC[C@@H]1Cc2ccccc21	159888411	OFKSWYPCYYUMDW-INIZCTEOSA-N	295.386	2.572	70	20	CFID	
Cc1nccc(NC(=O)NCC(=O)OC(C)(C)C)c1Cl	159364011	VAZDSRPAIFSARQ-UHFFFAOYSA-N	299.758	2.507	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1cnn(Cc2ccccc2)c1	159760726	ILQGCCGGHVCUBH-ZDUSSCGKSA-N	287.363	2.685	70	20	CFID	
C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@@H]1C	159778504	UHDPHFMQNPAVRL-RDBSUJKOSA-N	293.411	2.570	70	20	CFID	
O=C(Nc1cccc2[nH]ccc12)C(=O)N1CCC2(CCC2)C1	159390693	JTUUFEBWNZQHPW-UHFFFAOYSA-N	297.358	2.509	70	20	CFID	
CCOC(C)(C)CNC(=O)Nc1cccc(C(C)=O)c1	159716330	FRBKMQAJPQAMCH-UHFFFAOYSA-N	278.352	2.826	70	20	CFID	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C(C)(C)C	776368153	PAGIJMGQGGEMKV-SECBINFHSA-N	287.356	2.966	70	20	CFID	
CC(C)(C)SCCCC(=O)NOCc1cccnc1	161065795	UVFYDXXSZCXYRB-UHFFFAOYSA-N	282.409	2.941	70	20	CFID	
O=C(Nc1cccc(CO)c1)c1ccc(C(F)(F)F)cn1	161097417	WIIRTVBGDCXNOM-UHFFFAOYSA-N	296.248	2.845	70	20	CFID	
CC[C@H](CC(=O)NC[C@H]1CCOC1)c1ccc(OC)cc1	161112743	POFCTRBXDHKZPT-ZIAGYGMSSA-N	291.391	2.732	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)NC(C)(C)CC	161180953	RNSGRKZTXBKORP-CYBMUJFWSA-N	277.412	2.597	70	20	CFID	
CC(C)c1ccc(N(C)C(=O)CNC[C@@H]2CCCO2)cc1	161458446	FAJSHTBRDXBNID-INIZCTEOSA-N	290.407	2.541	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)CC)CCO1	160557177	FNHKXYSFTIJYMZ-YNEHKIRRSA-N	256.390	2.632	70	20	CFID	
CCC(=O)N1CCCN(C(=O)C(C)(C)C2CCCC2)CC1	160583146	KMNJJSSGHKUCBS-UHFFFAOYSA-N	294.439	2.674	70	20	CFID	
CCc1ccc(C(=O)Cn2cnc(C(C)C)cc2=O)cc1	160692661	PRSHUKGMCQOCEJ-UHFFFAOYSA-N	284.359	2.812	70	20	CFID	
Cc1c(/C=C/C(=O)NC[C@@H]2CCC[C@@H](C)C2)cnn1C	160941067	JKHBKMHILDHCDB-SNRDVKANSA-N	275.396	2.684	70	20	CFID	
C[C@]1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCCO1	160948614	WUCMQUACFQSQNM-UKRRQHHQSA-N	281.396	2.554	70	20	CFID	
C[C@H]1CCC[C@@H](CNC(=O)CNC(=O)CC2CCCC2)C1	160981991	AOCLKJIQNQFLBX-DZGCQCFKSA-N	294.439	2.625	70	20	CFID	
O=C(CCCn1ccnc1)N[C@@H]1CCCc2sccc21	159839878	AGWNJNQLIREKIA-CYBMUJFWSA-N	289.404	2.919	70	20	CFID	
Cc1cc(NC(=O)c2cc3cccc(F)c3o2)c[nH]c1=O	159478450	KEXJXWXAHBPFMO-UHFFFAOYSA-N	286.262	2.821	70	20	CFID	
CCc1c(C(=O)N[C@H](C)C2CC2)cnn1CC(C)C	159704089	OJGFMUYZWWWEMD-LLVKDONJSA-N	263.385	2.630	70	20	CFID	
COc1cc(C(=O)N2CCOCC2(C)C)ccc1Cl	159577636	WFDTYYCCKHCGOV-UHFFFAOYSA-N	283.755	2.600	70	20	CFID	
CCCn1c(C)nnc1CN1CCS[C@H](C(C)C)C1	159977601	FTMFQNGYZRGBQB-ZDUSSCGKSA-N	282.457	2.570	70	20	CFID	
NC(=O)CC1CCN(CC2CCCCCC2)CC1	159830572	BQWQSQBOWFEEHN-UHFFFAOYSA-N	252.402	2.544	70	20	CFID	
CCCn1nccc1CN[C@H](C)c1cccc(O)c1	160084353	UUHMBJFDOAFUQV-GFCCVEGCSA-N	259.353	2.850	70	20	CFID	
CCC[C@H](O)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160037454	VVFWYGULRWNVKK-YJNKXOJESA-N	267.413	2.870	70	20	CFID	
CCCn1c(CNCCOCC2CC2)nc2ccccc21	217802890	GUNQWLPRMJQJMV-UHFFFAOYSA-N	287.407	2.963	70	20	CFID	
COC[C@@H](C)N(C)c1ncc(Cl)cc1Br	159756274	KKPBXSHFSQKTHV-SSDOTTSWSA-N	293.592	2.969	70	20	CFID	
CC/C(C)=C\C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673207	VRFLVMWEPONXHO-VURMDHGXSA-N	289.303	2.779	70	20	CFID	
C[C@H](CC(=O)NC[C@@H]1CCN(C)C1)c1ccc(F)cc1F	160100509	MLTXYKXZSJLOCB-NEPJUHHUSA-N	296.361	2.526	70	20	CFID	
CN(C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc2c(c1)OCO2	160104866	DJVALMAACKDQOF-VXGBXAGGSA-N	285.299	2.775	70	20	CFID	
C[C@H](NC[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCOC1	160396519	PZENLXXABSUEQI-IMJJTQAJSA-N	268.445	2.512	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](C)[C@H](C)C1	160531251	CZCCHXSKMWOMNU-CMPLNLGQSA-N	289.379	2.604	70	20	CFID	
CCOC(=O)C(C)(C)N(C)CCC(=O)c1ccc(C)cc1	160559377	PPAJEJNZQTYZSQ-UHFFFAOYSA-N	291.391	2.841	70	20	CFID	
CCc1ccc(C(C)(C)CNC(=O)[C@H]2CC[C@@H](N)C2)cc1	160867870	GZOPLOCZLXXZPH-GOEBONIOSA-N	288.435	2.770	70	20	CFID	
CC(C)C[C@@H](NCC(=O)NC(C)C)c1cccs1	160973310	IMXCRRSMSOBNDY-GFCCVEGCSA-N	268.426	2.950	70	20	CFID	
Cc1c(F)cccc1NC(=O)c1cccc2[nH]c(=O)oc12	159616125	VJPDVVHEQGXBML-UHFFFAOYSA-N	286.262	2.821	70	20	CFID	
C[C@H]1CCc2c(C(=O)N3CCC(C)(O)CC3)csc2C1	161264387	MJOMIUGLAWNNAM-NSHDSACASA-N	293.432	2.860	70	20	CFID	
CCOc1ccc(S(=O)(=O)F)cc1Br	238833224	AEFKCVQGEPDEMG-UHFFFAOYSA-N	283.118	2.506	70	20	CFID	
CCN(CC)[C@@H](CNC(=O)C[C@@H](C)SC)c1ccco1	161387620	QAZGGRDPMLKXGH-OLZOCXBDSA-N	298.452	2.920	70	20	CFID	
CCOCCC(=O)N[C@H]1CCCc2sccc21	160148917	VSMIKOPZLQGVCZ-NSHDSACASA-N	253.367	2.668	70	20	CFID	
COC1(CNc2nc(C(C)(C)C)ns2)CCC1	160301430	RPCSRXHPYVRJPZ-UHFFFAOYSA-N	255.387	2.817	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@H](c1ccc(F)cc1)N(C)C	160481073	PMHJEEWGWXVNHL-BXUZGUMPSA-N	298.427	2.686	70	20	CFID	
CC[C@H](NCC(=O)NC(C)C)c1cc(Cl)ccc1OC	160923049	ROAKDUHFJZURGI-ZDUSSCGKSA-N	298.814	2.914	70	20	CFID	
CC1=C(C(=O)N2CCc3c(F)cccc3C2)CCCO1	160999745	DUFPXEVPUOEAJE-UHFFFAOYSA-N	275.323	2.795	70	20	CFID	
CSc1nsc(NC(=O)N(C)CCC2CC2)n1	159869205	FEJCYTXYTHUTRV-UHFFFAOYSA-N	272.399	2.524	70	20	CFID	
CCC[C@H](C(=O)Nc1ccc(C(N)=O)cc1F)C(C)C	159733214	PEAMCSADYHGHNP-NSHDSACASA-N	280.343	2.935	70	20	CFID	
CCc1nn(C)c(CC)c1CNCCc1ccccc1	159572870	MWEIGYBFAFVONT-UHFFFAOYSA-N	271.408	2.877	70	20	CFID	
O=S(=O)(Cl)C[C@H](F)c1ccc(F)c(F)c1	1537958560	BZVDZHWQNNOHRD-QMMMGPOBSA-N	258.648	2.544	70	20	CFID	
Cc1ccc(NC(=O)N(C)C2CCN(C)CC2)cc1C	217310702	AWRPXMXQYNKBMB-UHFFFAOYSA-N	275.396	2.861	70	20	CFID	
Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)F	857677120	ZHPORTNRFNJTAY-UHFFFAOYSA-N	273.329	2.638	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ncccc1Cl	161060580	WWPVRNQTXFTPQR-GOSISDBHSA-N	284.768	2.902	70	20	CFID	
C[C@@H](NCC1(c2ccc(F)cc2)CC1)[C@@H]1CCOC1	161352401	WDMWLAMCVUTEGO-CHWSQXEVSA-N	263.356	2.872	70	20	CFID	
CC1=C(C(=O)NCCn2c(C)nc3ccccc32)CCCO1	160170322	HRXPGIRQNUTNKI-UHFFFAOYSA-N	299.374	2.545	70	20	CFID	
COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccn(C)c1)N2	160287433	GSOKANCEUXVPLX-INIZCTEOSA-N	297.358	2.763	70	20	CFID	
Cc1ccc(F)c(OCC(=O)N(C)C[C@H]2CCCCO2)c1	160373050	MUBXQQRJLJLMLC-CYBMUJFWSA-N	295.354	2.540	70	20	CFID	
CC1CCN(CCNC(=O)[C@H]2CCC[C@@H](C)C2)CC1	160553077	ODIYJYDJYYXVGV-CABCVRRESA-N	266.429	2.661	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N[C@H](C)[C@@H](CO)SC	160842198	GIOMRVAAZZQKKY-JHJVBQTASA-N	290.473	2.614	70	20	CFID	
CN(C)[C@H]1CCC[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1	160908126	HBPINHLWWJLLAF-CABCVRRESA-N	293.455	2.739	70	20	CFID	
O=C(CCn1ccc2ccccc21)NC1CC=CC1	160990271	WNGVANKXXRVCEG-UHFFFAOYSA-N	254.333	2.866	70	20	CFID	
C[C@@H](NC[C@@H](C)N1CCc2sccc2C1)[C@@H]1CCOC1	159852162	KEABZKZBYMNPRE-UMVBOHGHSA-N	294.464	2.509	70	20	CFID	
CCCCSCCC(=O)N1CCN(C2CCCC2)CC1	159512814	UKORPPAKFQKPHT-UHFFFAOYSA-N	298.496	2.997	70	20	CFID	
CCCCOc1ccc([C@@H](C)NCCO)cc1OC	159713293	NHVQCXWQEYLUTE-GFCCVEGCSA-N	267.369	2.517	70	20	CFID	
C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)C1CCC1	159778788	VAZMRLYAEMTQLU-RXMQYKEDSA-N	294.302	2.867	70	20	CFID	
Cc1cc(C)cc(NC(=O)NCCCNC(=O)C(C)C)c1	159399965	XLCAMBXHBZHUTE-UHFFFAOYSA-N	291.395	2.587	70	20	CFID	
CCc1ncnc(N[C@H](C)c2c(C)noc2C)c1F	218018520	LQWGYUCJHKFNEA-SSDOTTSWSA-N	264.304	2.956	70	20	CFID	
CC(=O)C[C@@H](C)NC(=O)COc1ccc(Cl)cc1C	159962785	BAXFDKRLCAAMTP-SNVBAGLBSA-N	283.755	2.511	70	20	CFID	
CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160263639	BMNAFFIENSWMKI-NXEZZACHSA-N	268.332	2.549	70	20	CFID	
CC(C)OCCNC(=O)c1cc2ccccc2cc1N	160379864	RIDZDDRZVSZHML-UHFFFAOYSA-N	272.348	2.577	70	20	CFID	
O=C(CCSc1ccc(Cl)cc1)N[C@H]1CCC[C@@H]1O	161096444	WDDSAXZVWMXIJX-STQMWFEESA-N	299.823	2.852	70	20	CFID	
CC(C)N(C(=O)c1cccc(S(=O)(=O)F)c1)C1CCC1	1354460684	CVKJQNIGJFFBEL-UHFFFAOYSA-N	299.367	2.748	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)SC	159991978	VMXHNGRUWPEDBQ-SKDRFNHKSA-N	265.378	2.550	70	20	CFID	
CCN(C(=O)[C@H](C)N)[C@H](C)c1cccc(C(F)(F)F)c1	161115354	GNTHBRXZKWXSPI-VHSXEESVSA-N	288.313	2.962	70	20	CFID	
COc1ccc(NC(=O)CC[C@@H]2CC[C@H](C)O2)cc1N	161250845	SCWGLUXKESNZAZ-JQWIXIFHSA-N	278.352	2.564	70	20	CFID	
O[C@@H](C1CCN(Cc2ccccc2F)CC1)C(F)(F)F	161467425	SGENGXIYVVBXGY-ZDUSSCGKSA-N	291.288	2.961	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](C)CCOC)c1C	160143872	ZRAZMPMDNBSHQR-NSHDSACASA-N	282.388	2.538	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)Cc1ccsc1	160210424	PKNUZDCRNDXMAU-UHFFFAOYSA-N	298.408	2.621	70	20	CFID	
CCCc1cc(Oc2ccc3cn[nH]c3c2)n2ncnc2n1	160396959	JLQBPQKSTHAMIE-UHFFFAOYSA-N	294.318	2.745	70	20	CFID	
CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccs1	160418626	LKCACRNRYNIRRT-NEPJUHHUSA-N	276.409	2.704	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cccc2c1OCCO2	160608688	SRWZGGKXWXBNSK-VIFPVBQESA-N	267.350	2.538	70	20	CFID	
CCOCCC1(CNC(=O)CC2(O)CCCCC2)CCC1	160634496	JOTSFWBUOCPVNP-UHFFFAOYSA-N	297.439	2.785	70	20	CFID	
Cc1occc1CN(C)C(=O)NCC1(C2CC2)CC1	160832569	IPRXUFLDZDGGSZ-UHFFFAOYSA-N	262.353	2.920	70	20	CFID	
CCN(CC)C(=O)[C@@H](NC1CC=CC1)c1ccccc1	160892978	YGUKUVOKNVSOAP-INIZCTEOSA-N	272.392	2.904	70	20	CFID	
O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)C(F)(F)F	217668174	OECZTUJUZPQUAL-IONNQARKSA-N	263.646	2.874	70	20	CFID	
Cc1cc(CNCc2cccc3cccnc23)n(C)n1	159434692	MQRAPNAMJBSDPQ-UHFFFAOYSA-N	266.348	2.567	70	20	CFID	
CC(C)(N)CNC(=O)c1cc(F)c(Cl)cc1Cl	159933988	FTWRBQLNOIQCJR-UHFFFAOYSA-N	279.142	2.600	70	20	CFID	
CC[C@@H](O)CN(Cc1ccccc1)c1cc(C)ncn1	161020228	WUBKLALZOPWERB-OAHLLOKOSA-N	271.364	2.563	70	20	CFID	
C(=C\c1ccccc1)\CN1CCC2(CC1)OCCO2	216750646	GKHADXCDLZPGMP-DAXSKMNVSA-N	259.349	2.539	70	20	CFID	
Cc1ccsc1CCCC(=O)Nc1cnn(C)c1	161319361	DMGZHCZIWWDKSP-UHFFFAOYSA-N	263.366	2.751	70	20	CFID	
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	460092962	NPMQICKISAMSNS-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](C)CCO	161047110	FSXMDVRPNASUCD-ZBFHGGJFSA-N	277.408	2.636	70	20	CFID	
Cc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)ncn1	161310039	GHIGKMYMWHNNRR-CQSZACIVSA-N	299.374	2.683	70	20	CFID	
COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCCCO2)c1	161386476	VDCOJJHXQJIRNU-HOTGVXAUSA-N	289.375	2.928	70	20	CFID	
Cc1ccc([C@@H](C)NCCN2CCC(N(C)C)CC2)s1	160153467	JDVXCMRUPVUTRM-CQSZACIVSA-N	295.496	2.733	70	20	CFID	
CC[C@H](C)OCC(=O)N(C)CCCc1ccc(OC)cc1	160387226	RSHNVENNXRQYEE-AWEZNQCLSA-N	293.407	2.901	70	20	CFID	
CCN(CC)C(=O)N1CC[C@H](c2ccccc2OC)C1	160523342	QCSYPLIHIIBKKN-ZDUSSCGKSA-N	276.380	2.946	70	20	CFID	
CC[C@H](NC(=O)CC1CCNCC1)c1cc(F)ccc1F	160657852	DETHQADTUSCXJR-HNNXBMFYSA-N	296.361	2.922	70	20	CFID	
CCN(Cc1noc(C2CCOCC2)n1)c1ccccc1	160805205	FWDWICAEYMCPCG-UHFFFAOYSA-N	287.363	2.990	70	20	CFID	
Cn1cnnc1CN1CCC[C@H]1c1cccc(Cl)c1	160811087	IYLIYQHIIIMAPI-ZDUSSCGKSA-N	276.771	2.806	70	20	CFID	
FC(F)(F)c1csc(N2CCOC[C@@H]2C2CC2)n1	159654032	OABKUVRUGDYZAW-MRVPVSSYSA-N	278.299	2.777	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@H]2CCC[C@H](N)C2)cc1	159657669	RMFCKQAYUQMTAD-KBMXLJTQSA-N	274.408	2.732	70	20	CFID	
CS[C@@H](C)CNC(=O)NC[C@@H](c1cccnc1)C(C)C	159513601	CUWPORUETGRRQC-GXTWGEPZSA-N	295.452	2.872	70	20	CFID	
O=C(COc1ccc(F)cc1)NCC1(C2CC2)CC1	159940514	GRWKRCYLQJKYBQ-UHFFFAOYSA-N	263.312	2.511	70	20	CFID	
C[C@H](NC(=O)[C@H]1CCCCO1)c1ccc(F)cc1F	159974128	XDNBERMKGCZURW-TVQRCGJNSA-N	269.291	2.711	70	20	CFID	
CCN(C[C@@H]1CCCO1)C[C@@H](O)c1ccc(C)cc1	216952878	KHXBDEPDKUYHDF-JKSUJKDBSA-N	263.381	2.529	70	20	CFID	
CCN(CCCO)C(=O)CCc1ccc(C)c(Cl)c1	160563353	PDCGOTNAHCOPEQ-UHFFFAOYSA-N	283.799	2.812	70	20	CFID	
CC[C@@H](C)N(C)CCNC(=O)Nc1cccc(C(C)=O)c1	217401471	YXEATTWGVWMXNQ-GFCCVEGCSA-N	291.395	2.741	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCCSC1	160832899	WVVWHZIEZBUMNN-SECBINFHSA-N	270.785	2.669	70	20	CFID	
CC(C)CN1CCN(Cc2csc(C3CC3)n2)CC1	161314381	YVOGENPGEFTXCZ-UHFFFAOYSA-N	279.453	2.794	70	20	CFID	
CCN(Cc1ccccc1C)C(=O)[C@@H]1CCCCO1	161223722	KOPDVDWELFMULA-HNNXBMFYSA-N	261.365	2.913	70	20	CFID	
Cc1cc(C)cc(OCCN[C@H](C)c2cnccn2)c1	161246845	NWMMVKNCPMINFN-CQSZACIVSA-N	271.364	2.823	70	20	CFID	
COc1cccc([C@H]2CCCN2C(=O)[C@H]2CCCCO2)c1	161386854	VDCOJJHXQJIRNU-HZPDHXFCSA-N	289.375	2.928	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](C)[C@H]1C	160137219	ONYFCCYXLCASCZ-CHWSQXEVSA-N	284.400	2.548	70	20	CFID	
CCCC(=O)N[C@@H]1CCCN(CCC2CCCC2)C1	160189074	AFFHBCULKYQJRL-OAHLLOKOSA-N	266.429	2.947	70	20	CFID	
Cc1nc(NC(=O)[C@H]2C[C@H]2C2CC2)cc(C2CC2)n1	160328797	DJHFPJSZORRCHA-RYUDHWBXSA-N	257.337	2.647	70	20	CFID	
CC[C@]1(C)CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1	160776836	KMJCUJAUJFNLGP-SJLPKXTDSA-N	286.419	2.740	70	20	CFID	
CN(CC(F)F)C(=O)NCC1(Cc2ccccc2)CC1	160811814	JIYVLKOIPUBGIX-UHFFFAOYSA-N	282.334	2.916	70	20	CFID	
CCCc1nnc(NC(=O)[C@H]2C[C@]2(C)CC)s1	159838079	GFQFMPYPZZKUBE-PELKAZGASA-N	253.371	2.865	70	20	CFID	
CC1(C)C[C@@H](NCc2cn3ccccc3n2)C(C)(C)O1	159434856	FKTJRHFCZIPWCR-CYBMUJFWSA-N	273.380	2.770	70	20	CFID	
CC(C)n1nccc1C(=O)NCCc1cc2ccccc2[nH]1	159513746	QHIGZEFPIZHCQT-UHFFFAOYSA-N	296.374	2.918	70	20	CFID	
C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ns2)CN1C1CC1	159912341	VCNRIBBZJXHWJA-ZJUUUORDSA-N	280.441	2.873	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)cc1	159547389	CVOBGUWNWNVEMR-BBRMVZONSA-N	274.364	2.763	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@@H]1CCCC[C@@H]1C	160756530	WCHGHBCJHXZRRT-UONOGXRCSA-N	275.458	2.710	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C1CCC(C)(C)CC1	160794603	VNVPJBCFJCHSOO-CYBMUJFWSA-N	255.402	2.726	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1	160965309	GLMOJXBMIVIZEL-NWDGAFQWSA-N	286.297	2.705	70	20	CFID	
CCCC1(CNC(=O)c2noc3c2CCCC3)CC1	160454461	RKPOLEXDSIFNFY-UHFFFAOYSA-N	262.353	2.864	70	20	CFID	
CCCC(O)(CCC)CC(=O)N[C@@H](C)C[C@@H]1CCCO1	161147582	KFFVIEOBDGQTIT-KBPBESRZSA-N	285.428	2.782	70	20	CFID	
CCNC(=O)C(C)(C)CNc1ccc2ccc(F)cc2n1	161325351	NTNOENBDCLIRPS-UHFFFAOYSA-N	289.354	2.948	70	20	CFID	
CCC(CC)(CC)NC(=O)NCCCC(=O)OC(C)C	160172758	KXSZKVBBDYCURL-UHFFFAOYSA-N	286.416	2.986	70	20	CFID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)CC1CC1)C(F)(F)F	160259106	RMCWWOWJBGMSHF-GFCCVEGCSA-N	290.285	2.984	70	20	CFID	
Fc1ccc([C@H]2CN(CCOCC3CC3)CCO2)cc1F	160371666	FNHADEHQKZAAPQ-MRXNPFEDSA-N	297.345	2.765	70	20	CFID	
COc1ccc(CCC(=O)N(C)Cc2cccn2C)cc1	160436114	GRDGDTUDIXQRMG-UHFFFAOYSA-N	286.375	2.625	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2c(s1)CCCC2	160481713	RMKFHPNBVZXFIW-SNVBAGLBSA-N	295.404	2.698	70	20	CFID	
CS[C@H](C)CNC(=O)NCc1nc(C(C)C)cs1	160566353	KRPFTSZPYTVKLA-SECBINFHSA-N	287.454	2.817	70	20	CFID	
O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1cc(F)ccc1O	160614148	HSWYAUPIOJIWSC-NUEKZKHPSA-N	283.302	2.599	70	20	CFID	
Cc1nc(C)c(CNC(=O)C[C@H](C)c2ccncc2)s1	160692848	WATYCLXDEOBFHA-JTQLQIEISA-N	289.404	2.965	70	20	CFID	
O=C(Nc1cccc2[nH]ccc12)N1CCOC2(CCC2)C1	160822281	OHLMWLYCOGSFMN-UHFFFAOYSA-N	285.347	2.955	70	20	CFID	
COc1ncccc1C(=O)NCCCSCC(C)C	160838837	HPWOEHJLOTUVPP-UHFFFAOYSA-N	282.409	2.599	70	20	CFID	
COc1nc(C(=O)NC2CC=CC2)cc2ccccc12	160970651	TVKNYGXORSYNER-UHFFFAOYSA-N	268.316	2.692	70	20	CFID	
CCCCc1nnc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)s1	159610133	GRGPXOFXDKOINP-MWLCHTKSSA-N	295.408	2.825	70	20	CFID	
CC[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCO1	159874865	UNRQPDIEJXSUGN-UHTWSYAYSA-N	295.329	2.706	70	20	CFID	
C[C@@H](CCn1cccn1)N[C@H]1CC(C)(C)OC1(C)C	159495530	KMHHXOUACPNYHM-STQMWFEESA-N	265.401	2.597	70	20	CFID	
CCN1CCC(NC(=O)CCCc2sccc2C)CC1	159911667	UEWJMWYRECHPHN-UHFFFAOYSA-N	294.464	2.980	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H](C)Cc1ccc(O)cc1	217759792	LOMYESCBBCKUOP-KBPBESRZSA-N	264.413	2.643	70	20	CFID	
CCN(CCCO)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	160501126	WJWGAOANLHFJRT-MNOVXSKESA-N	281.318	2.586	70	20	CFID	
C[C@@H]1CCCC[C@H]1OCCCS(=O)(=O)Cl	112155160	LQGJQLNRFXQAKW-NXEZZACHSA-N	254.779	2.540	70	20	CFID	
C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1cnn(C)c1	160866182	WMGHNYFKUHKADC-GJZGRUSLSA-N	286.423	2.591	70	20	CFID	
COC[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)C1CC1	160899199	XQGMCULYKLEZHR-RHSMWYFYSA-N	276.424	2.522	70	20	CFID	
C[C@H]1C[C@H](Nc2cnccn2)CN1Cc1ccccc1	160930574	MSQYLGMPNVDXRE-ZFWWWQNUSA-N	268.364	2.552	70	20	CFID	
C=CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460094805	SQBAFONKYYBXDI-UHFFFAOYSA-N	285.340	2.886	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1ncc[nH]1	218078329	ORZHIFHXFJLHCL-WCQYABFASA-N	257.337	2.781	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)NCCn1cccn1	161019702	XETNMBZAOVYILQ-ZDUSSCGKSA-N	263.385	2.606	70	20	CFID	
Cc1ccc2cc(C(=O)Nc3cc[nH]n3)ccc2n1	161063914	GNIGHHJAZALWRE-UHFFFAOYSA-N	252.277	2.519	70	20	CFID	
Cc1cc(C(=O)Nc2ccc3nc(C)sc3c2)ncn1	161202701	DEVVHMFFGOIDCB-UHFFFAOYSA-N	284.344	2.955	70	20	CFID	
CCC(CC)(CN)C(=O)NCCCc1cccc(F)c1	161218731	ZKWJJKURQWRXKY-UHFFFAOYSA-N	280.387	2.640	70	20	CFID	
CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2ccnc2C1	161326295	VHPSKDFNTGQMCS-HZPDHXFCSA-N	297.402	2.583	70	20	CFID	
Cc1cc(C(=O)NC[C@H]2CCCc3ccccc32)ncn1	161455205	YJJOZALOPYOGCF-CQSZACIVSA-N	281.359	2.635	70	20	CFID	
CC(C)Oc1ccc(CN[C@H]2C[C@@H](C)N(C)C[C@H]2C)cn1	160065457	GSMKIWLYLZYKAP-FMKPAKJESA-N	291.439	2.687	70	20	CFID	
Cc1ccccc1CS(=O)(=O)NCC1(C2CC2)CC1	160143462	ICHJWAFLWNGVQY-UHFFFAOYSA-N	279.405	2.605	70	20	CFID	
Cc1nc(NC(=O)CC(F)(F)F)cc(C2CC2)n1	160152824	UAYJPXXMOATVPI-UHFFFAOYSA-N	259.231	2.553	70	20	CFID	
Clc1cnc(NCc2nnc(C3CC3)n2C2CC2)nc1	160326866	BTXUTRBOQKCIQE-UHFFFAOYSA-N	290.758	2.546	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc(F)cc(F)c1	160358627	BDDUQTDKGRVTEI-UHFFFAOYSA-N	264.275	2.576	70	20	CFID	
C[C@@H]1CCCCN1C(=O)Nc1ccn(CC(F)(F)F)n1	160403184	NYRPNQJEKPXXAF-SECBINFHSA-N	290.289	2.852	70	20	CFID	
CCOCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C	160575716	PHLJXCFDCQWYDI-UHFFFAOYSA-N	296.386	2.901	70	20	CFID	
CC(C)CSCCCNC(=O)C(=O)Nc1ccccc1	160681512	SFLFEPOMURXCDT-UHFFFAOYSA-N	294.420	2.521	70	20	CFID	
CCOc1ncccc1CNC(=O)[C@@H]1C[C@]1(C)CC	160999004	TVTDQZAAHQPHLZ-WFASDCNBSA-N	262.353	2.533	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(Cl)c2c(c1)OCO2	159833829	YMSPSIWBNYDVET-UHFFFAOYSA-N	293.750	2.989	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N1CCCc2cc(F)ccc21	159846107	VFKJMBFJWNHPQT-LLVKDONJSA-N	285.384	2.954	70	20	CFID	
O=C(Cc1ccc(F)cc1)N[C@H]1CCOC2(CCCC2)C1	159921803	SJMQUDAOPIDZAV-HNNXBMFYSA-N	291.366	2.976	70	20	CFID	
Cc1cc(NC(=O)CCCC(C)(C)C)c[nH]c1=O	159554701	NUGQTGXHAJLRCO-UHFFFAOYSA-N	250.342	2.838	70	20	CFID	
O=C(Cc1cccs1)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21	159952291	VWEQOXXKAFPIBZ-BFYDXBDKSA-N	283.396	2.993	70	20	CFID	
CC[C@H](C)[C@H](O)CNc1nc(C(C)(C)C)ns1	159449229	FVHVYFHXMOFNRT-DTWKUNHWSA-N	257.403	2.655	70	20	CFID	
CCOC(CCN[C@@H]1CCc2ccccc2C1)OCC	159542602	WHNQIJPWCZARHJ-MRXNPFEDSA-N	277.408	2.923	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccoc1	160787873	LEBKKZZHRFPZBO-VIFPVBQESA-N	263.318	2.732	70	20	CFID	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	185110729	AGMDICLTKSKGOP-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
CC1=C(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1	460090832	IQAFZQKPWCLYSL-UHFFFAOYSA-N	283.324	2.784	70	20	CFID	
CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1	865207189	JQJNDPQXWMBBBX-UHFFFAOYSA-N	287.356	2.653	70	20	CFID	
O=S(=O)(F)CCN1CCCCc2c(Cl)cccc21	883954712	WXOCAGRORXECAI-UHFFFAOYSA-N	291.775	2.782	70	20	CFID	
CCOCCC1(CNC(=O)C2[C@H]3CCC[C@H]23)CCC1	161176949	NLULBGSWPNADCQ-STQMWFEESA-N	265.397	2.746	70	20	CFID	
CCCC(=O)N1CCC[C@H]1c1ccc(COC)o1	161350329	LIWBKXJOKMFKRQ-LBPRGKRZSA-N	251.326	2.890	70	20	CFID	
CC[C@H]1CCCC[C@H]1NCC(=O)N(C)CC(F)(F)F	161429722	ICZIXJSNDGJPFQ-WDEREUQCSA-N	280.334	2.566	70	20	CFID	
Cc1cccc([C@@H]2CCCN2Cc2cn3cccnc3n2)n1	160004233	VZVCOWXZCSSKRG-INIZCTEOSA-N	293.374	2.770	70	20	CFID	
CCC(O)(CC)CNC(=O)Nc1ccn(CCC(C)C)n1	160134707	FOWLIQOAYUVLSI-UHFFFAOYSA-N	296.415	2.602	70	20	CFID	
CCOCCC1(C(=O)N(C)CCc2ccccn2)CCC1	160756347	DMEVKJGHAIXGNL-UHFFFAOYSA-N	290.407	2.679	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1	160831321	OTZCYQUDIMTLHF-WMLDXEAASA-N	287.407	2.734	70	20	CFID	
Cc1cc(NC(=O)[C@H]2CCCCO2)n(Cc2ccccc2)n1	160842391	OAIRAMNJNLZYQA-OAHLLOKOSA-N	299.374	2.747	70	20	CFID	
CCOCCCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160901356	ONLFYUMIXSIMNW-AWEZNQCLSA-N	283.412	2.801	70	20	CFID	
C[C@H]1C[C@H](NC[C@@H]2CCc3ccccc32)CCN1C	160961085	IDLBDDNBOBRTMP-CWRNSKLLSA-N	258.409	2.789	70	20	CFID	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2CC2)C1	159641340	VXVDLIPEZSDQJO-QWHCGFSZSA-N	296.411	2.596	70	20	CFID	
CCC[C@@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	159844254	PYVNJFMZMIARID-IXDOHACOSA-N	286.419	2.923	70	20	CFID	
Cc1nccc(NC(=O)NC[C@@H]2CCCN(C)C2)c1Cl	159483711	LTNPGPJSWILLCG-NSHDSACASA-N	296.802	2.507	70	20	CFID	
CCCCN(C)S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21	159483947	CBOSKUFGEKBAFJ-ZIAGYGMSSA-N	288.457	2.618	70	20	CFID	
CCC(C)(CC)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	159493196	IMQGRQCGMNNGPX-STQMWFEESA-N	253.386	2.887	70	20	CFID	
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CNCC1CC1	159527696	SFYWVOXRYLLPCS-APPDUMDISA-N	290.382	2.565	70	20	CFID	
CCC(CC)NC(=O)Cc1cccc(OCCOC)c1	159537850	IXZDQMGQSNTVPZ-UHFFFAOYSA-N	279.380	2.559	70	20	CFID	
C[C@@H](C[C@@H]1CCCCCN1)NCC1(N(C)C)CCCC1	160688020	VNGHBVVHLOBLPP-HOTGVXAUSA-N	281.488	2.761	70	20	CFID	
O=C(NCc1cccc(C(F)(F)F)c1)C(F)F	217664220	LWFOHWPNBWCKSG-UHFFFAOYSA-N	253.170	2.587	70	20	CFID	
CC[C@H](C)CCNC(=O)c1cccc(S(=O)(=O)F)c1	1517955955	KYIULZIVHACTJJ-JTQLQIEISA-N	287.356	2.511	70	20	CFID	
Cc1ccc(F)c(NC(=O)NCCCC(=O)OC(C)C)c1	161060370	HNEDEVWHRLHTNC-UHFFFAOYSA-N	296.342	2.987	70	20	CFID	
COc1cc(NC2CCC(NC(C)=O)CC2)cc(OC)c1	161117705	YQUDOUOKHOFQEV-UHFFFAOYSA-N	292.379	2.563	70	20	CFID	
CCc1ncc(NC(=O)NC[C@H]2CCc3ccccc32)cn1	161160648	JJRGSWTXCDGFQQ-CYBMUJFWSA-N	296.374	2.891	70	20	CFID	
COc1cc(F)c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1OC	161176018	XLVOTTWFNITKJQ-PHIMTYICSA-N	295.354	2.961	70	20	CFID	
CCCCOCC(=O)N1CCC[C@H]1c1ccc(COC)o1	161304803	PGNHZRXMFJXZMS-AWEZNQCLSA-N	295.379	2.906	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	160010327	MTXLLMQZBNKJLR-SGMGOOAPSA-N	281.396	2.683	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc2c(c1)CCN2C(C)=O	160035667	VKZPCOXBBDSSBM-PBHICJAKSA-N	286.375	2.970	70	20	CFID	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1	160199319	NBLJXZHRQCQUGC-FRRDWIJNSA-N	299.201	2.657	70	20	CFID	
CC1=C(C(=O)N[C@H](C)Cc2ccc(O)cc2)CCCO1	160250997	XQOQMOYCCZOAKE-LLVKDONJSA-N	275.348	2.524	70	20	CFID	
CC[C@H](C)[C@H](C)NCc1ccccc1CS(C)(=O)=O	160929422	KKKZPGDBPQWLEA-STQMWFEESA-N	283.437	2.755	70	20	CFID	
COCC[C@H](C)NC(=O)C(C)(C)c1ccc(OC)cc1	159716584	VSVVXZXUFXDFSH-LBPRGKRZSA-N	279.380	2.514	70	20	CFID	
CCN(C(=O)/C=C/c1cnn(C)c1C)C1CCCC1	159916179	OKDMRUBMOAQZRQ-MDZDMXLPSA-N	261.369	2.533	70	20	CFID	
CCCC1(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1	159974913	LNLNPCCNSCQIMK-VXGBXAGGSA-N	268.401	2.822	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@@H](C)Cc1ccccc1C	159392880	KLXLTQLPWVJBGW-KBPBESRZSA-N	263.381	2.857	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H](C)Cc1ccccc1OC	160067563	IVMCVLYKQNNSMN-LSDHHAIUSA-N	278.440	2.946	70	20	CFID	
FC(F)(F)c1nnc(N[C@H]2CCN3CCC[C@H]3C2)s1	160343414	WNIAFHPCCMQTBM-YUMQZZPRSA-N	292.330	2.596	70	20	CFID	
CC1(C)C[C@H](NCc2cnn(C(C)(C)C)c2)CCO1	160433824	DYRSPJFPHKFOPU-CYBMUJFWSA-N	265.401	2.685	70	20	CFID	
CC1(C)CC[C@@H](COC(=O)c2cc(F)ccc2N)O1	160783838	NHKYQDPOWRHVNT-JTQLQIEISA-N	267.300	2.522	70	20	CFID	
CC[C@H](O)CN(Cc1ccccc1)C(=O)NCC(C)C	161088771	CGOIHKVLOVUXQI-HNNXBMFYSA-N	278.396	2.625	70	20	CFID	
Cc1ccc([C@H](O)CNC(=O)/C=C\c2ccc(O)cc2)cc1	217162589	KIHNYBZYDVEYIK-ACAQERRYSA-N	297.354	2.564	70	20	CFID	
COCCOCCCCNc1nnc(C(C)(C)C)s1	160548198	MAUSWNMCVWSMNU-UHFFFAOYSA-N	287.429	2.691	70	20	CFID	
CC[C@H]1CCCC[C@@H]1OCCCS(=O)(=O)Cl	112155137	IUXZOFOCTGNHEE-QWRGUYRKSA-N	268.806	2.931	70	20	CFID	
Cc1ccn(-c2ccccc2NC(=O)c2cncnc2C)n1	161307721	NOGQSUHHQHUJBT-UHFFFAOYSA-N	293.330	2.531	70	20	CFID	
CSCC[C@H](C)N(C)c1cc(C(C)=O)ccn1	161417846	UGWQEOVLUPGWDF-JTQLQIEISA-N	252.383	2.862	70	20	CFID	
COC(CN1CCC(c2ccc(F)cc2)CC1)OC	161484047	NFWTVHJWRWYSKY-UHFFFAOYSA-N	267.344	2.624	70	20	CFID	
CCOc1cc(CNCC2(CO)CCCC2)ccc1OC	160116950	XEGNJYRBMAOJKT-UHFFFAOYSA-N	293.407	2.736	70	20	CFID	
O=C(C[C@@H]1OC(=O)c2ccccc21)NCC1(C2CC2)CC1	160120409	KKNUCZMNFFTODO-AWEZNQCLSA-N	285.343	2.595	70	20	CFID	
CCCN1CCCN(C(=O)CC2CCCCC2)CC1	160389856	YCEJKCVGFPXOTC-UHFFFAOYSA-N	266.429	2.901	70	20	CFID	
CC(C)(C)c1cnc([S@@](=O)CC(=O)c2ccc[nH]2)s1	160474154	VRVXOLSXVLEYOE-LJQANCHMSA-N	296.417	2.759	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)CCc1ccc(Cl)cc1	160488595	HNFUEZJUQBFUIS-CQSZACIVSA-N	283.799	2.796	70	20	CFID	
COc1ccc([C@H](C)[C@H](C)NCC(C)(C)O)cc1	160629886	GZZHSZHTEZYIFF-NEPJUHHUSA-N	251.370	2.548	70	20	CFID	
C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cccnc1	160784986	IUKKBFHJYPNNRN-PWBULWKKSA-N	293.370	2.780	70	20	CFID	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccnc1	160814895	YFFOFZZJQDTDQQ-ZYHUDNBSSA-N	291.376	2.777	70	20	CFID	
C[C@H](CN1CCCCC1)NC(=O)NCC1(C2CC2)CCC1	159612880	DOHXWNRYGCITLC-CQSZACIVSA-N	293.455	2.740	70	20	CFID	
COc1ccc(NC(=O)c2[nH]c(C)cc2C)c(C)n1	159475571	QTNRTPWOSUNUAV-UHFFFAOYSA-N	259.309	2.596	70	20	CFID	
CC(C)CC1(CNC(=O)N(C)CC2CCOCC2)CC1	159909443	VOZKIYXXBCINAT-UHFFFAOYSA-N	282.428	2.881	70	20	CFID	
CC[C@H](NC(=O)CCCn1ccnc1)c1c(C)noc1C	159972144	HANXZBUCQBQPFF-ZDUSSCGKSA-N	290.367	2.536	70	20	CFID	
C[C@H](CN[C@H]1CCCc2ccc(O)cc21)N(C)C1CC1	217560301	PRAKNHIEYHHTJA-PXAZEXFGSA-N	274.408	2.842	70	20	CFID	
COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(C)c1Cl	160403789	ZBKJCPDIHVSZDE-LBPRGKRZSA-N	297.782	2.966	70	20	CFID	
CCc1csc(N[C@H]2CCN3CCCC[C@@H]23)n1	217468922	QSLHLJKYWWRMBI-RYUDHWBXSA-N	251.399	2.744	70	20	CFID	
c1cc(OCc2nccs2)cc(-n2cccn2)c1	161364321	XLTAKQWDLCEBCL-UHFFFAOYSA-N	257.318	2.908	70	20	CFID	
CN(CCCN1CCCCC1)[C@H]1CCCc2c1cnn2C	161448223	KUSFHIPDUSDHDV-INIZCTEOSA-N	290.455	2.605	70	20	CFID	
CC[C@H](COC)NCCC1CCN(CC(F)(F)F)CC1	160036345	DNZMWFXEFIQADO-CYBMUJFWSA-N	296.377	2.665	70	20	CFID	
CCCn1nccc1CNCc1ccc(OC)cc1OC	160145812	FCXQBZIYUGRHRY-UHFFFAOYSA-N	289.379	2.600	70	20	CFID	
CCN(CCCNC(=O)[C@@H]1CCCCO1)c1ccccc1	160226252	LDKIEZIBBPWZFQ-INIZCTEOSA-N	290.407	2.588	70	20	CFID	
COC[C@@H]1CCCN1C(=O)Nc1ccn(CCC(C)C)n1	160972570	ORRPNCWDEJTLET-ZDUSSCGKSA-N	294.399	2.572	70	20	CFID	
Cc1cccc(C(=O)N(C)CCOCc2ccccc2)n1	159418219	BSCALMLCUONKHV-UHFFFAOYSA-N	284.359	2.679	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1	159611203	PFVPNUFTEFNBRW-KBPBESRZSA-N	269.433	2.595	70	20	CFID	
CC[C@@H]1CN(c2nc(C(C)(C)C)ns2)C[C@H](C)O1	159425425	UQFGLYHXOJLXFE-VHSXEESVSA-N	269.414	2.839	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@H](C)[C@@H]2CCOC2)c1	159881199	KMVIRKGRHDDRFQ-UKRRQHHQSA-N	290.407	2.940	70	20	CFID	
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1ccncc1	159964632	YMHUTFKZHFDRRB-NSHDSACASA-N	290.392	2.551	70	20	CFID	
CC[C@H](CCO)NC(=O)c1ccc(COC(C)C)cc1	160122898	OICPMIFPWWJLGZ-OAHLLOKOSA-N	279.380	2.502	70	20	CFID	
CCC(CC)(CN)C(=O)NC1CC(c2ccccc2)C1	161212781	PUXYXNJHWZSBCC-UHFFFAOYSA-N	274.408	2.814	70	20	CFID	
CCC(C)(C)C1CCC(NC(=O)COCCOC)CC1	218630136	OESWIMBTJRXLCT-UHFFFAOYSA-N	285.428	2.761	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC(C(C)C)CC1	160055254	HWVVSNNOARVGKI-UHFFFAOYSA-N	298.427	2.796	70	20	CFID	
O=S(=O)(Cl)CCCSc1ccccc1	100495444	WEABMWMHHYOIME-UHFFFAOYSA-N	250.772	2.737	70	20	CFID	
Cc1cccc(OCCCCC(=O)NC[C@H](C)CCO)c1	161035631	XWBJBKCRCNCFBO-OAHLLOKOSA-N	293.407	2.679	70	20	CFID	
CC(C)CNC(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@H]12	161046295	PUSGBOCCPGMGLW-ILXRZTDVSA-N	258.365	2.670	70	20	CFID	
Cc1ccc(NC(=O)Nc2cnn(CC(C)C)c2)cn1	161325844	KOIMTCVCDSOXLC-UHFFFAOYSA-N	273.340	2.887	70	20	CFID	
Cc1cc(C(=O)NC[C@@H]2CCCc3ccccc32)ncn1	161455078	YJJOZALOPYOGCF-AWEZNQCLSA-N	281.359	2.635	70	20	CFID	
CNC(=O)Cc1cccc(OCCCOc2ccccc2)c1	160001400	YYJSDFDQYXFYKL-UHFFFAOYSA-N	299.370	2.823	70	20	CFID	
COc1cc(F)c(C(=O)NCC2(C3CC3)CC2)cc1OC	160016352	GNRQGYWNZWYKQK-UHFFFAOYSA-N	293.338	2.763	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21	160089582	YRXDYNLZIXDTKU-KBPBESRZSA-N	296.411	2.692	70	20	CFID	
C[C@@H](CO)CNC(=O)[C@@H](C)Sc1ccccc1Cl	160427433	VDIPIAMJSAJRSS-NXEZZACHSA-N	287.812	2.565	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)CCCOc1ccccc1F	160549443	SWRWYWZYBCWTPJ-CQSZACIVSA-N	297.370	2.508	70	20	CFID	
c1ccc([C@H]2C[C@H](Nc3ncccn3)CCO2)cc1	160617237	QZVKBYMQSWSAEX-ZIAGYGMSSA-N	255.321	2.809	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CCOc3ncccc32)o1	160784286	COGDWOXXACPAOO-BQYQJAHWSA-N	284.315	2.676	70	20	CFID	
Cc1ccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)s1	160944251	DKCKBPNVMYYLKR-GFCCVEGCSA-N	299.403	2.883	70	20	CFID	
C[C@@H](NC[C@@H](C)N1CCc2ccccc2C1)c1cnccn1	159807233	CGSUFVRILURWSX-HUUCEWRRSA-N	296.418	2.574	70	20	CFID	
CC(C)(C)n1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1	159465878	FKGMFHRLDGKMHN-KFWWJZLASA-N	289.423	2.685	70	20	CFID	
CCOc1cncc(N[C@H]2CCCc3cc(N)ccc32)n1	159478954	XXRFZNASEQAZIJ-AWEZNQCLSA-N	284.363	2.947	70	20	CFID	
Cc1ccc(Cl)cc1NC(=O)N[C@]1(C)CCOC1	159483267	GUHQCWKCANUMNH-CYBMUJFWSA-N	268.744	2.949	70	20	CFID	
CC(C)NCCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C	159878240	ZYDOZOHXIDSQRK-MCIONIFRSA-N	252.402	2.554	70	20	CFID	
CC(C)NCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C	159877975	ZYDOZOHXIDSQRK-RDBSUJKOSA-N	252.402	2.554	70	20	CFID	
CCSCC[C@@H](C)NC(=O)c1ccc2c(c1)CNCC2	160229133	HVKIWQDHRIKJOL-GFCCVEGCSA-N	292.448	2.594	70	20	CFID	
CC1(O)CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	161235251	CAIOVUBXKLAOJR-UHFFFAOYSA-N	277.408	2.576	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1F	161465215	HJZDQLYWMFLYJC-UONOGXRCSA-N	277.339	2.918	70	20	CFID	
CCOc1ccc(CNC(=O)Nc2ccccn2)cc1	217300908	WKAGFKIYWZDWNL-UHFFFAOYSA-N	271.320	2.802	70	20	CFID	
CCc1ncnc(NCCCC(F)(F)F)c1F	218052825	GLSZUFPRYPNCFO-UHFFFAOYSA-N	251.227	2.933	70	20	CFID	
C=C[C@@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460095397	UQAHUTPOCFVHCU-ZDUSSCGKSA-N	285.340	2.886	70	20	CFID	
CCN(CC1CCC1)C(=O)c1cccc(S(=O)(=O)F)c1	1337360172	BKYMURUKCPPRJC-UHFFFAOYSA-N	299.367	2.607	70	20	CFID	
CC[C@@H](C)N(CC)C(=O)c1cccc(S(=O)(=O)F)c1	1338069157	TVDZVXSSCOMTMA-SNVBAGLBSA-N	287.356	2.605	70	20	CFID	
CCOc1cccc(NC(=O)NC[C@H](C)SC)c1	161296011	PTGKIRGWYFDHPS-JTQLQIEISA-N	268.382	2.958	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@@H]1c1ccccc1	161389572	ODPFQTNNCCBJAN-HUUCEWRRSA-N	259.349	2.919	70	20	CFID	
C[C@H](O)CN(C)C(=O)c1occc1-c1ccc(F)cc1	160095046	DWOYOALUGURFGT-JTQLQIEISA-N	277.295	2.539	70	20	CFID	
C[C@@H]1CN(C(=O)Nc2nnc(C(F)F)s2)CC[C@H]1C	160226333	OTKSPZBQBATVLK-RNFRBKRXSA-N	290.339	2.986	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCCc1cccs1	160478708	SCVQZNQPXCJBTL-LLVKDONJSA-N	283.393	2.529	70	20	CFID	
CC[C@@H](NC(=O)c1cc(OC)ccn1)c1c(C)noc1C	160513305	XYFCKQRGUJZJSX-GFCCVEGCSA-N	289.335	2.576	70	20	CFID	
CC[C@@H](NC(=O)[C@@H]1CCCS1)c1c(C)noc1C	160517143	RNBQFPCOLCKOHU-MNOVXSKESA-N	268.382	2.754	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1	160881330	MRVSOQHJVXSMDZ-CABCVRRESA-N	290.382	2.634	70	20	CFID	
CCC[C@@H](C)c1cc(NC(=O)[C@H]2CCCCO2)[nH]n1	159707244	GNTPGGMATJSWSB-ZYHUDNBSSA-N	265.357	2.821	70	20	CFID	
O=C(N[C@@H]1CCOC1)N1CCC2(CCCCC2)CC1	159371429	UGZVTQAPGNXJLM-CYBMUJFWSA-N	266.385	2.531	70	20	CFID	
CCCCn1ncc(NC(=O)NCCCCOCC)c1C	159983835	KOAAWNWCIVQQSE-UHFFFAOYSA-N	296.415	2.930	70	20	CFID	
Cc1ccc(NC(=O)NCc2ccc(CO)cc2)cc1	217267950	NOLFHHZXHAZJIF-UHFFFAOYSA-N	270.332	2.809	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cc(OC)ccc1OC	217382972	GHBBJNHXSKGGBY-CYBMUJFWSA-N	280.412	2.524	70	20	CFID	
CCCN(CC)CCN[C@H](C)C[C@@H]1CCCCCN1	217732032	NFOOHGLECVZTPI-CVEARBPZSA-N	269.477	2.619	70	20	CFID	
NC(=O)CC1CCN(Cc2ccc(F)c(Cl)c2)CC1	159752608	QSHODIKUDNUHGW-UHFFFAOYSA-N	284.762	2.567	70	20	CFID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1cncc(F)c1	161104287	BSXLURPWKBSSBN-GLQYFDAESA-N	265.376	2.744	70	20	CFID	
CCOc1ccc(NC(=O)NCCN(CC)CC)cc1	217281543	IODKVECQCJJKIR-UHFFFAOYSA-N	279.384	2.549	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@H](C)SC)n1	161188891	DWGQGTFPQMSLRZ-VIFPVBQESA-N	290.392	2.724	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	160514023	NLCGWTKWNOJXQW-SECBINFHSA-N	290.392	2.860	70	20	CFID	
CCC[C@@H](C(=O)Nc1c(C)ccn(C)c1=O)C(C)C	160552744	NLVKUGFKRJPJHN-GFCCVEGCSA-N	264.369	2.705	70	20	CFID	
C[C@H](C(=O)N(C)C)c1ccc(Br)cc1	160636375	SYLRXEDCFMYMNU-QMMMGPOBSA-N	256.143	2.641	70	20	CFID	
CC[C@H](O)CCNC(=O)N[C@H](C)CCCC(C)C	160651577	HKHUDJYPIVZCTQ-OLZOCXBDSA-N	258.406	2.661	70	20	CFID	
Cc1c(CNC(=O)CCNC(C)C)oc2ccccc12	160817754	GGNAOWREYLLMKR-UHFFFAOYSA-N	274.364	2.746	70	20	CFID	
CCCCNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160846895	OGXABQRBPRPLJL-UHFFFAOYSA-N	289.379	2.907	70	20	CFID	
CC(C)NCCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C	160904324	XWMDIWXIRZEXJQ-HOCLYGCPSA-N	274.408	2.779	70	20	CFID	
CC(C)n1nccc1C(=O)NCC1(c2ccccc2)CC1	160947064	CYDBUXLHOZSAAF-UHFFFAOYSA-N	283.375	2.926	70	20	CFID	
Cc1cc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1C	159647737	IXXNRVHUARXAKB-STQMWFEESA-N	298.390	2.507	70	20	CFID	
CCc1nc(CN2CCC[C@H]2C(C)(C)CC)n[nH]1	159450236	QWHZNBZVZZIHDE-NSHDSACASA-N	250.390	2.768	70	20	CFID	
Cc1nnc([C@@H](C)Nc2ccn(CCC(C)C)n2)o1	159870543	VAACKJHGDOHLHG-SNVBAGLBSA-N	263.345	2.794	70	20	CFID	
CC1(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)CCC1	159896812	PXLIAFKTKOAEBG-UHFFFAOYSA-N	295.770	2.520	70	20	CFID	
C[C@H](C(=O)NCC1(N)CCCCC1)c1cccs1	159547528	JQEFFQJLJOJZQV-NSHDSACASA-N	266.410	2.629	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)NCCc1ccncc1C	159969832	YTMMLHBUSLTJED-YPMHNXCESA-N	263.385	2.666	70	20	CFID	
CCOC(C)(C)CNC(=O)c1ccc2cc[nH]c2c1	159696392	LBTVLIIIANLQJI-UHFFFAOYSA-N	260.337	2.713	70	20	CFID	
C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccncc1	160987778	XMDLKPYBIMJYKJ-QEJZJMRPSA-N	278.421	2.787	70	20	CFID	
CC(C)N1C[C@@H](NC(=O)NC(C)(C)CC(C)(C)C)CC1=O	217288608	XHXLYMJIKTVNLW-LBPRGKRZSA-N	297.443	2.510	70	20	CFID	
COc1cccc(OC)c1C(=O)N1[C@H]2C=CC[C@H]1CC2	218698852	QBKWFEQYQGSFDF-RYUDHWBXSA-N	273.332	2.637	70	20	CFID	
CC(C)(C)OC(=O)N[C@H](CNC(=O)O)c1ccccc1	217651892	IHAWSAXCEOGKNP-LLVKDONJSA-N	280.324	2.520	70	20	CFID	
C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864239234	DEXCPLXGTQHTRK-QWRGUYRKSA-N	299.367	2.748	70	20	CFID	
CCc1ncc(NC(=O)N[C@H](CC)c2ccncc2)cn1	161205473	SCGWHUIBJROYFZ-CYBMUJFWSA-N	285.351	2.707	70	20	CFID	
CSc1cc(C(=O)N2CCC[C@H](N(C)C)C2)ccc1F	161235651	NRHZDQPHINLISJ-LBPRGKRZSA-N	296.411	2.714	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@H]2C)n1	161239265	KIPBKELJUBDYBE-MWLCHTKSSA-N	270.336	2.629	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCOC(C)(C)C1	161425413	APHMTOWGWUUWKK-NEPJUHHUSA-N	279.405	2.797	70	20	CFID	
COc1ncccc1C(=O)N1CCc2c(Cl)cccc21	161448846	JTLPUQVTNYNRON-UHFFFAOYSA-N	288.734	2.947	70	20	CFID	
CCOC(=O)[C@@H]1CC[C@@H](NCc2ccco2)C[C@@H]1C	161481155	SOFMJNFLZMULJW-OUCADQQQSA-N	265.353	2.737	70	20	CFID	
CC(C)(C)CCC(=O)NCCCOC[C@@H]1CCCO1	160033576	WWBJUEZVMZZWID-ZDUSSCGKSA-N	271.401	2.515	70	20	CFID	
CCN1CC[C@@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1	160052047	IWLXVRVJVJFNBD-GDBMZVCRSA-N	291.439	2.689	70	20	CFID	
C[C@@H](O)C[C@@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3	160192378	XSYGTWNFJGTFOP-LUCZXWKPSA-N	291.435	2.821	70	20	CFID	
COc1ccc([C@H](NC(=O)[C@H]2CCCCO2)C2CC2)cc1	160353188	KALPFOZJCWVXDH-HZPDHXFCSA-N	289.375	2.832	70	20	CFID	
CN(C(=O)CC1CCCC1)c1ccc2c(c1)OCO2	160427637	DHQOZOKLWKHMIU-UHFFFAOYSA-N	261.321	2.958	70	20	CFID	
C[C@H](CC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)CC(C)(C)C	160565048	JELHZDFVOLYEAZ-MCIONIFRSA-N	294.439	2.576	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2CCSCC2)n1	160614690	BRMKERLVSRJFQI-UHFFFAOYSA-N	282.413	2.510	70	20	CFID	
COc1cc(C(=O)Nc2cccc(C)c2)cc(OC)c1O	160687090	YNHGZMPGMSBRRP-UHFFFAOYSA-N	287.315	2.970	70	20	CFID	
CC(C)c1cc(=O)n(Cc2ccc(-n3cccn3)cc2)cn1	160920108	AHYKJZCUDYQMDM-UHFFFAOYSA-N	294.358	2.601	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)c1ccc(F)c(F)c1	160982168	PGJYLRNMILRZGK-UHFFFAOYSA-N	291.363	2.614	70	20	CFID	
C[C@@]1(NC(=O)Nc2cccc3c2CCCC3)CCOC1	159429580	WVEJNCQYWMJQPU-MRXNPFEDSA-N	274.364	2.866	70	20	CFID	
CCCc1nnc(NC(=O)N[C@H](CC)[C@H]2CCCO2)s1	159706611	CQDCSXPMFGBXEO-NXEZZACHSA-N	298.412	2.570	70	20	CFID	
CNC(=O)c1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1	159921949	OFQFQWFFBVEWKI-UHFFFAOYSA-N	297.358	2.817	70	20	CFID	
CCCN(C)C[C@H]1CCN(CCCN2CCCCC2)C1	161393642	MXFDCFLHXHIEMO-QGZVFWFLSA-N	281.488	2.526	70	20	CFID	
COCCOc1cccc(NC(=O)NC[C@H](C)SC)c1	161056995	FPQUOKOZHCCXTI-NSHDSACASA-N	298.408	2.585	70	20	CFID	
CCOCCC1(CNC(=O)[C@H](C)OCC2CC2)CCC1	161069899	SWUVZUNLWGLUSU-ZDUSSCGKSA-N	283.412	2.515	70	20	CFID	
CC(C)NCCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C	161097140	LKZZTEQMUPYTQG-SJCJKPOMSA-N	292.398	2.953	70	20	CFID	
Cc1ccnc(NC[C@@H]2CCCN(CC(C)C)C2)n1	161304253	TXPNMPRXGZDTHR-AWEZNQCLSA-N	262.401	2.565	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N2CCOC[C@@H]2C2CC2)c1	161376863	BZCSXLUUEVVVSP-QGZVFWFLSA-N	287.403	2.873	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC[C@H](O)CN1CCC(C)CC1	161423954	CLNQCFCPXZOYGL-IXDOHACOSA-N	282.472	2.638	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2	160028634	XOCLJNJROYXWTC-BLLLJJGKSA-N	275.348	2.810	70	20	CFID	
CCc1ncc(C(=O)NC[C@H]2CCCN2CC(C)C)s1	160405351	NDGATVGAEWUAFD-GFCCVEGCSA-N	295.452	2.556	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)Cc1ccc(O)cc1Cl	160405576	JDOQDRHGMDFJHQ-NXEZZACHSA-N	267.756	2.988	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NCCN2CCC(C)CC2)on1	160554716	XBQGFTFWIZDWMU-CYBMUJFWSA-N	293.411	2.650	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CC1CCCCCC1	160766522	FOMQMQRZPIZWHH-LBPRGKRZSA-N	269.385	2.805	70	20	CFID	
Cc1nc(CN(C)CCO)oc1-c1ccc(Cl)cc1	160855977	UGFBGKGKOPFHGU-UHFFFAOYSA-N	280.755	2.728	70	20	CFID	
Cn1cnnc1CSc1ccc2ccccc2n1	160941681	ZOCZYXXEMTWECD-UHFFFAOYSA-N	256.334	2.656	70	20	CFID	
CCC1(CNC(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1	159485538	YWBXCKZJLMUCQL-ZDUSSCGKSA-N	290.411	2.629	70	20	CFID	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1CCC(C)(C)CC1	159495840	UKFFYXSMXFTXTK-VXGBXAGGSA-N	282.428	2.622	70	20	CFID	
COc1ccc(N(C)C(=O)Cc2c(C)noc2C)cc1F	159546765	KLOJJGPERXYJJU-UHFFFAOYSA-N	292.310	2.645	70	20	CFID	
COc1ccc(C[C@H](C)C(=O)N2CCOCC2(C)C)cc1	159581598	XKIOHVOWQHVBBH-ZDUSSCGKSA-N	291.391	2.511	70	20	CFID	
CCN(CCNCc1ccc2[nH]ccc2c1)C1CC1	217427634	DNOYXEANAZLWCN-UHFFFAOYSA-N	257.381	2.742	70	20	CFID	
CCc1nc(CN[C@@H](CC)c2ccc(C)cc2)n[nH]1	160273136	GUFXVBSXGLHYFB-ZDUSSCGKSA-N	258.369	2.916	70	20	CFID	
FC(F)(F)CCNCc1cncc(Br)c1	160575543	MDACYUWLYXABCD-UHFFFAOYSA-N	283.091	2.886	70	20	CFID	
CCC[C@@H](COC1CCC1)CS(=O)(=O)Cl	114476646	NXGZPHZMGBWZLF-VIFPVBQESA-N	254.779	2.540	70	20	CFID	
C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H]1C	864239752	OAPGEOLWIMJYDK-QWRGUYRKSA-N	299.367	2.605	70	20	CFID	
Cc1ccc(C)c(CS(=O)(=O)Cc2nccs2)c1	161188470	SUBKRUXZRFKOTA-UHFFFAOYSA-N	281.402	2.875	70	20	CFID	
COc1cccc(COCCNC(=O)N[C@@H](C)C(C)C)c1	161360419	OPRMXUBNTZQREO-ZDUSSCGKSA-N	294.395	2.556	70	20	CFID	
Cc1ccc(NC(=O)NC2(CO)CC2)cc1C(F)(F)F	160457194	SIHNMXTXENVIAR-UHFFFAOYSA-N	288.269	2.660	70	20	CFID	
CC1=C(C(=O)Nc2ccnn2Cc2ccccc2)CCCO1	160691683	HLBILPNRZSPVMW-UHFFFAOYSA-N	297.358	2.954	70	20	CFID	
COc1cc(Cl)ccc1C(=O)N(C)Cc1cccn1C	160799473	GDTABLGPTFLXIR-UHFFFAOYSA-N	292.766	2.959	70	20	CFID	
COc1cc(CN(C)CCCN2CCCCC2)ccc1O	160924183	WLOPJVLLEVLUPP-UHFFFAOYSA-N	292.423	2.709	70	20	CFID	
Cc1cc(F)ccc1C(=O)NC[C@@]1(O)CCc2ccccc21	159435612	LIXYEDFXLKGXJT-SFHVURJKSA-N	299.345	2.698	70	20	CFID	
CCn1c(SCCCOC)nc2ccc(F)cc2c1=O	159706140	SVXDHBUBZDQOOB-UHFFFAOYSA-N	296.367	2.684	70	20	CFID	
CC1(C)C[C@@H](NC(=O)c2csnn2)c2ccccc2O1	159938287	DFOCJQNPNMBXKA-SNVBAGLBSA-N	289.360	2.570	70	20	CFID	
CN(C)c1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1	159548564	SHYXCDPNTMPWFD-FGTMMUONSA-N	292.382	2.821	70	20	CFID	
c1cc2c(c(CNC[C@@H]3CCN(C4CC4)C3)c1)NCCC2	159374788	BGPADWIUYVJBIQ-AWEZNQCLSA-N	285.435	2.619	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)[C@H]1C[C@H]1C1CC1	159392280	HHYUABBEMPUVJU-HOTGVXAUSA-N	273.376	2.708	70	20	CFID	
CC[C@@H](C)[C@](C)(O)CNC(=O)Nc1ccnc(C)c1Cl	159990833	SGWXJRYGTUQGLH-YMTOWFKASA-N	299.802	2.962	70	20	CFID	
O[C@H](CNc1ccc(C(F)(F)F)nn1)c1ccsc1	218031848	KEOAMSJTLCUGGL-MRVPVSSYSA-N	289.282	2.702	70	20	CFID	
CCc1ncnc(NCCc2ccc(O)cc2)c1F	217983842	ZDIFEHQMFCVKOF-UHFFFAOYSA-N	261.300	2.538	70	20	CFID	
CC[C@H](CCO)NC(=O)C1(c2cccc(C)c2)CCC1	160097185	SHBZJJCWGYTICY-OAHLLOKOSA-N	275.392	2.694	70	20	CFID	
Cc1c(CN[C@@H]2CCc3c(F)cccc32)cnn1C	161217837	NUMZPXPWXNWXBO-OAHLLOKOSA-N	259.328	2.645	70	20	CFID	
C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H](c2ccsc2)O1	160001444	QVTZMFGZDLDLNU-KOLCDFICSA-N	271.357	2.785	70	20	CFID	
C[C@H](CCO)CNC(=O)/C=C/c1cccc2ccccc12	161049867	YOQFTCCMMBUDEZ-ATWMFIQVSA-N	283.371	2.988	70	20	CFID	
CCCn1nc(C)c(C(=O)NCCC(C)C)c1C	161196759	BMDQXQOMUYNBTO-UHFFFAOYSA-N	251.374	2.686	70	20	CFID	
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@@H](C)N)cc1	161234896	AURGJYPCEQUJAM-UMVBOHGHSA-N	260.381	2.642	70	20	CFID	
COC[C@@H](NC(=O)Nc1ccc(F)c(C)c1)C1CC1	160045132	YHCCKYTYYWUSLO-CYBMUJFWSA-N	266.316	2.681	70	20	CFID	
O=C([C@@H]1CCCCO1)N(Cc1ccccc1F)C1CC1	160183773	NIKFEHKVAVOCDX-HNNXBMFYSA-N	277.339	2.886	70	20	CFID	
COc1cccc(CCCN2CC[C@@H](N3CCCC3)C2)c1	160335398	SZCWQRRPUQRDAW-QGZVFWFLSA-N	288.435	2.798	70	20	CFID	
Cc1noc(C)c1C(=O)N[C@H]1CCOC2(CCCCC2)C1	160414640	HKPWQHAMLVKCRE-ZDUSSCGKSA-N	292.379	2.903	70	20	CFID	
C[C@H]1C[C@H](NC2CCN(C3CCCC3)CC2)[C@H](C)CN1C	160477273	WQFFVTFWECRWJF-VKJFTORMSA-N	293.499	2.712	70	20	CFID	
NC(=O)c1cnccc1N[C@@H]1CCO[C@H](c2ccccc2)C1	160550111	NJBHLVLQAGHWIN-CJNGLKHVSA-N	297.358	2.513	70	20	CFID	
O=C(CC[C@H]1CCOC1)Nc1cccc(OCCF)c1	160580413	SDIAGRYSQLOIHE-LBPRGKRZSA-N	281.327	2.790	70	20	CFID	
Cn1cnnc1CN(Cc1ccco1)Cc1cccs1	160706790	QDAJGPXKZWBSFJ-UHFFFAOYSA-N	288.376	2.672	70	20	CFID	
O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCSCC1	160815579	NEFQOVMXNROSNN-GHMZBOCLSA-N	283.343	2.644	70	20	CFID	
CC1=C(C(=O)N(C)CCOc2ccccc2F)CCCO1	160822010	WLSBRJLJXXELON-UHFFFAOYSA-N	293.338	2.747	70	20	CFID	
CC[C@@H](COC)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1	159612463	HRABSWQEOAQVOY-OCCSQVGLSA-N	299.436	2.556	70	20	CFID	
CCC(C)(CC)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	159493339	IMQGRQCGMNNGPX-CHWSQXEVSA-N	253.386	2.887	70	20	CFID	
CCOc1ccc([C@H](CC)NCCO)cc1OCC	159713701	AAARFUYTEXAXAM-ZDUSSCGKSA-N	267.369	2.517	70	20	CFID	
CN(Cc1nccs1)C(=O)c1ccc(N(C)C)cc1F	159786570	PCCMVDRYLIRUNV-UHFFFAOYSA-N	293.367	2.620	70	20	CFID	
CCCN(CC)CCNCc1ccc2[nH]ccc2c1	217658381	ZOWLPHXPGALFTP-UHFFFAOYSA-N	259.397	2.989	70	20	CFID	
CN(C)C1(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CCCC1	160687360	SEODJEKYBDVQNG-KFWWJZLASA-N	280.456	2.654	70	20	CFID	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)oc1C	122979462	GWCOHTGKXIOODT-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
CCC[C@@H](C)NC(=O)[C@@H](C)N(CC)Cc1ccccn1	161080586	KMINYZHSDWPGEN-ZIAGYGMSSA-N	277.412	2.597	70	20	CFID	
C[C@@H](NC(=O)C(F)F)C12CC3CC(CC(C3)C1)C2	217638237	YFYICHCFUJSPOD-MTXFGMJDSA-N	257.324	2.973	70	20	CFID	
COc1cc2c(cc1OC)[C@@H](CN(C)CCCCl)C2	114051296	IPKJVEJVDGVCGY-GFCCVEGCSA-N	283.799	2.904	70	20	CFID	
CC[C@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1	161147836	RIDNHLOQRKQUOU-VIFPVBQESA-N	282.365	2.799	70	20	CFID	
CCCC[C@H](NC(=O)[C@@]1(C)CCCO1)C(=O)OC(C)(C)C	161205810	HRBLRXLTDQZHDV-BLLLJJGKSA-N	299.411	2.572	70	20	CFID	
CNC[C@H]1CCCN1C(=O)C[C@@H](C)c1cccc(F)c1	161236576	CVZCJKATPCTSRH-IUODEOHRSA-N	278.371	2.530	70	20	CFID	
CC(C)c1ncc(C(=O)N(C)CC(=O)OC(C)(C)C)s1	161258952	NAMRUATXGCWTCR-UHFFFAOYSA-N	298.408	2.680	70	20	CFID	
O=C(Nc1ccccc1N1CCCC1)[C@H]1CCCCO1	160034994	LBRIWHOTUKJXDU-OAHLLOKOSA-N	274.364	2.794	70	20	CFID	
CCOCCNC(=O)NCC1CCC(C)(C)CC1	160127209	LTWSUMXJOJRITP-UHFFFAOYSA-N	256.390	2.539	70	20	CFID	
CC[C@H](COC)NS(=O)(=O)c1ccc(CC(C)C)cc1	160286211	PDHKKVWYJUUTRE-CQSZACIVSA-N	299.436	2.588	70	20	CFID	
O=C(NCCCOCC(F)(F)F)N1CCC2(CCC2)C1	160293878	PQHDZLNUGOVHEO-UHFFFAOYSA-N	294.317	2.541	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)c1ccccc1F	160581836	LHJFDMAVMNTIGH-NEPJUHHUSA-N	295.354	2.777	70	20	CFID	
CC[C@H](NC(=O)[C@H](C)SC)c1c(C)noc1C	160597506	UNFZOVKHKQPVTB-UWVGGRQHSA-N	256.371	2.610	70	20	CFID	
CCC[C@@H]1CCCN(c2cc(=O)n3ccccc3n2)C1	160610348	BCOUJEDBUODSMZ-CYBMUJFWSA-N	271.364	2.711	70	20	CFID	
CS[C@H](C)C(=O)N[C@H](C)CC(=O)c1cccs1	160838867	FCMYJGYXDRXAQD-RKDXNWHRSA-N	271.407	2.577	70	20	CFID	
CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2C)C1	159819737	QWZKGNDDNZEPHV-UONOGXRCSA-N	260.381	2.657	70	20	CFID	
Cc1ncccc1C(=O)NCCc1cc2ccccc2[nH]1	159642392	DDDNJXKIJMUUTP-UHFFFAOYSA-N	279.343	2.844	70	20	CFID	
COc1ccc(CN(C)Cc2ccc(N(C)C)nc2)cc1	159871511	LUNOUTQGHHLZMQ-UHFFFAOYSA-N	285.391	2.788	70	20	CFID	
C[C@H](CNC(=O)NCC1(C2CC2)CC1)CN1CCCCC1	159686720	OGUZWDKRXWXQAT-CQSZACIVSA-N	293.455	2.598	70	20	CFID	
CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C)nc1	159699416	PTVLCTHIEXRORF-ZDUSSCGKSA-N	291.395	2.661	70	20	CFID	
CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCCNC1	159756915	XNXNVVBESNOFGN-JKSUJKDBSA-N	274.408	2.842	70	20	CFID	
O=C(CC(F)(F)F)N[C@H]1CCOC2(CCCC2)C1	159799159	VBVBYKRHKMMLKB-VIFPVBQESA-N	265.275	2.547	70	20	CFID	
O=C(CCc1cc(Cl)cc(Cl)c1)NC1(CO)CC1	160344823	KAWKCAWYEUGCTF-UHFFFAOYSA-N	288.174	2.567	70	20	CFID	
Cc1cc(C)c2c(c1)[C@H](NCC(C)(C)O)CCCO2	160640648	UFLYKAYNPWMMTR-CQSZACIVSA-N	263.381	2.878	70	20	CFID	
C[C@H]1Sc2ccccc2N(CCS(=O)(=O)F)[C@@H]1C	883954768	YWMAWKKCHGVWEQ-NXEZZACHSA-N	289.397	2.675	70	20	CFID	
C[C@@H](NC(=O)c1ccc(O)cc1O)c1ccc(F)cc1	217420229	MANUSADHBAYHBO-SECBINFHSA-N	275.279	2.728	70	20	CFID	
O=C(C1CCC1)N1CCOc2ccc(Br)cc21	217255563	GRUFPHIHPRBVOO-UHFFFAOYSA-N	296.164	2.975	70	20	CFID	
CCc1ccc([C@H](F)CS(=O)(=O)Cl)cc1	1537958741	IKFDOMKXWVURFC-SNVBAGLBSA-N	250.722	2.828	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@@H]1CCCN1	161107527	RQNYFCTXPRRQSX-HOTGVXAUSA-N	274.408	2.608	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)OC[C@@H]1CCCO1	161190289	KCQCRGYABPQTJW-WCVJEAGWSA-N	297.439	2.998	70	20	CFID	
Cc1nc(C2(NCc3cnc4ccccn34)CCCC2)no1	161376806	XQTSWZNTMDKMPI-UHFFFAOYSA-N	297.362	2.585	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc(N(C)C(C)=O)cc1	161478848	JLHLICUBIXPSKQ-JTQLQIEISA-N	280.393	2.749	70	20	CFID	
CC[C@H](C)CN(CC)[C@H](C(N)=O)c1ccc(F)cc1	160583660	DLBRFPNKDLQGCS-FZMZJTMJSA-N	266.360	2.720	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc(OC(F)F)cc1	160750254	YXOWROYQMKHVJT-UHFFFAOYSA-N	294.301	2.899	70	20	CFID	
CCC(=CC(=O)N(C)c1ccc(S(C)(=O)=O)cc1)CC	160763855	WMCGHPGNCFGWRC-UHFFFAOYSA-N	295.404	2.799	70	20	CFID	
C[C@H]1CN(Cc2cnc3ccccn23)C[C@H](C)S1	160814749	XHRXGPQSFMRVHM-RYUDHWBXSA-N	261.394	2.660	70	20	CFID	
C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cnccn1	160864386	IPVRAQYKWIQQGC-HUUCEWRRSA-N	284.407	2.648	70	20	CFID	
O=C(Nc1cccc(Cl)c1)C(=O)N1CCC2(CCC2)C1	159403891	KHQPBVMZZLPPCT-UHFFFAOYSA-N	292.766	2.681	70	20	CFID	
CCN(CC)CCNC(=O)Nc1ccnc(C)c1Cl	159613234	SQFGWOONXNKDLJ-UHFFFAOYSA-N	284.791	2.507	70	20	CFID	
CCN(CC)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1	159728548	CCIKNIKOYMTHRP-KRWDZBQOSA-N	288.391	2.622	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(OC)cc1	159777390	WCTNGZMYSHPFFI-UHFFFAOYSA-N	280.368	2.615	70	20	CFID	
CCCn1nccc1CNCC1(N(C)C)CCCCC1	159973227	JDLWXIOVVAPVOQ-UHFFFAOYSA-N	278.444	2.647	70	20	CFID	
Cn1ccnc1CN(Cc1ccccc1)C[C@H]1CCCO1	160835772	QLURDMKGROGHPQ-MRXNPFEDSA-N	285.391	2.601	70	20	CFID	
CC1(O)CCN(C(=O)c2sccc2-n2cccc2)CC1	161306674	RBIYKAGGIGWHDE-UHFFFAOYSA-N	290.388	2.526	70	20	CFID	
CCOC[C@H]1CCN(C(=O)c2cccc(Cl)c2F)C1	159449007	IYKSTEBKUAMBOL-JTQLQIEISA-N	285.746	2.978	70	20	CFID	
CC(C)(C)[C@@H](CCO)NC(=O)NCCCc1ccccc1	161158541	ZZIABGVLRRKCSS-OAHLLOKOSA-N	292.423	2.716	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@H](N)Cc2ccccc2)cc1	161169472	WGDSCPBOEDAWAX-CRAIPNDOSA-N	296.414	2.785	70	20	CFID	
Cc1noc(Cl)c1CC(=O)NC[C@H]1CC=CCC1	161309353	QWXXLBRZDZHMOU-JTQLQIEISA-N	268.744	2.651	70	20	CFID	
Cc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1F	161421924	RQKJJFRHOSTIEC-UHFFFAOYSA-N	285.278	2.556	70	20	CFID	
CC(C)(N)CNC(=O)/C=C/c1cc(Cl)ccc1Cl	160015165	IKSAAIFMJSIMMY-ZZXKWVIFSA-N	287.190	2.860	70	20	CFID	
CCc1ncsc1C(=O)N[C@@H]1CCc2c(O)cccc21	160041454	CPRKOQXPXVBWTB-GFCCVEGCSA-N	288.372	2.828	70	20	CFID	
CCO[C@@H](CC)C(=O)N[C@H](CC)c1c(C)noc1C	160459244	UKMCGHVCHCLFOF-NEPJUHHUSA-N	268.357	2.674	70	20	CFID	
CC1(C)C[C@@H](NC(=O)C[C@@H]2CCCN2)c2ccccc2O1	160345218	ILQPSGOUJVWETC-GXTWGEPZSA-N	288.391	2.547	70	20	CFID	
CCSCc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	160854499	NNCGBVWHQGCAIO-HUUCEWRRSA-N	292.448	2.939	70	20	CFID	
COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1O	160880116	MBHHSLODDFWRDN-CMPLNLGQSA-N	293.363	2.718	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnn(-c2ccccn2)c1C	159848059	TYDSFEMNLGMAKP-HIFRSBDPSA-N	298.390	2.884	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2C2CC2)cc1F	159862430	ACBRHKBREJQTRY-VXGBXAGGSA-N	263.312	2.843	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnc2n[nH]c(C)c2c1	159520287	QHKXWVPKHJTDMF-ZWNOBZJWSA-N	272.352	2.575	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)COc1cccc(C(C)=O)c1	159571102	VCUXDFRMXGETTA-CZUORRHYSA-N	289.375	2.963	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1	161178888	RSCGTRCJDMUGRD-NXEZZACHSA-N	287.190	2.993	70	20	CFID	
C[C@@H]1SCCN(CCCN2CCCCC2)[C@@H]1C	161160155	MUSPACNTITXQCK-KGLIPLIRSA-N	256.459	2.688	70	20	CFID	
CC(C)(C)C[C@@H](CO)Nc1ncnc2sccc12	161436144	IRAHRRXYXUMHGJ-VIFPVBQESA-N	265.382	2.900	70	20	CFID	
CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	122971522	JNDNRDTWNDOMFF-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
C[C@@H](c1cnn(-c2ccccc2)c1)S(=O)(=O)Cl	148331494	VFWHKDFTUNFLLZ-VIFPVBQESA-N	270.741	2.502	70	20	CFID	
C[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)c1cncs1	161048997	KTZRRMJAVHPDAS-WOPDTQHZSA-N	253.415	2.667	70	20	CFID	
CCCn1nc(C)c(C(=O)NC2CCCCC2)c1C	161123550	GLAICQAWQRJYJP-UHFFFAOYSA-N	263.385	2.972	70	20	CFID	
CS(=O)(=O)CCCCN(Cc1ccccc1F)C1CC1	161243115	KAOZTHKOSOZHNW-UHFFFAOYSA-N	299.411	2.615	70	20	CFID	
COCCC1(CNC(=O)Nc2ccc(C)nc2)CCC1	161418473	NYYLIRBUEVFJQZ-UHFFFAOYSA-N	277.368	2.718	70	20	CFID	
CCc1nc(CSCCc2c(C)noc2C)no1	160134132	MACBAUVPLIKDHI-UHFFFAOYSA-N	267.354	2.713	70	20	CFID	
C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]1CN	160351632	ZHAVJDFJUGCRCE-WDEREUQCSA-N	298.839	2.770	70	20	CFID	
C[C@@H](NC(=O)C[C@H]1CCCN1)c1ncc(-c2ccccc2)o1	160480212	SKNUYPIKLTUTER-TZMCWYRMSA-N	299.374	2.661	70	20	CFID	
C[C@H]1[C@H](C)CCN1C(=O)c1ccc(N(C)C)cc1F	160708230	IEPYVOZSBRRZLO-MNOVXSKESA-N	264.344	2.762	70	20	CFID	
C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCc3ccccc32)C1	159679086	ORUQONNIBDQCSW-WBVHZDCISA-N	288.391	2.620	70	20	CFID	
C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN)cc1	159878675	AYNKDUWENGMRDU-RCBQFDQVSA-N	272.392	2.939	70	20	CFID	
CC1(C)CCC(CN2CCC(CC(N)=O)CC2)CC1	159779627	CRPMXKKKZSMATG-UHFFFAOYSA-N	266.429	2.790	70	20	CFID	
CC(=O)C[C@@H](C)NC(=O)c1csc2c1CC[C@@H](C)C2	159964235	DSKZICHQHRJZTH-NXEZZACHSA-N	279.405	2.970	70	20	CFID	
CCCCCNC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160242267	YACXGOQDSPHZRZ-LLVKDONJSA-N	282.359	2.941	70	20	CFID	
CN[C@@H]1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)C1	160610698	ZZTBGESUOVZUHB-LLVKDONJSA-N	292.766	2.829	70	20	CFID	
CC[C@@H](COc1ccccc1)CS(=O)(=O)Cl	114472437	HQZHAMAVHBUSFS-JTQLQIEISA-N	262.758	2.660	70	20	CFID	
CCSc1cc(Cl)ccc1C(=O)Nc1ncnn1C	161133593	HBMMGIQSGXEAGI-UHFFFAOYSA-N	296.783	2.833	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@](C)(CC)CCO)c1C	160010762	JWEZIDVHMRHBQN-OAHLLOKOSA-N	296.415	2.664	70	20	CFID	
CCCNC(=O)[C@H](C)SCc1c(CC)noc1C	160089283	NSZVOYQBXMGKKT-JTQLQIEISA-N	270.398	2.693	70	20	CFID	
CC(C)(CNC(=O)CSc1nncs1)C1CCCC1	160102018	UTWBYBPGOMRUIT-UHFFFAOYSA-N	299.465	2.963	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)c1cocn1	160134539	PJXZVPHSHWEJGN-JTQLQIEISA-N	261.277	2.910	70	20	CFID	
CC1(C)CCC(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1	160144806	QLOFLBOJCYMFMN-HNNXBMFYSA-N	278.440	2.803	70	20	CFID	
O=C(CCc1ccoc1)N[C@H]1CCOC2(CCCC2)C1	160146850	YZBJWYHIYWYWPY-AWEZNQCLSA-N	277.364	2.820	70	20	CFID	
COc1ccc(Cl)cc1C(=O)N(C)Cc1cccn1C	160434446	XPCOFOKMPFKNSV-UHFFFAOYSA-N	292.766	2.959	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)c1cccc(C)c1	160472715	DIYMXVMGBOHTRF-QWHCGFSZSA-N	277.364	2.556	70	20	CFID	
CC(C)=CC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160561789	OTSZYIOZLMYAQJ-CYBMUJFWSA-N	251.370	2.951	70	20	CFID	
C[C@H](CO)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1	160563012	JGQGFHBNIVYDEI-CQSZACIVSA-N	283.371	2.735	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C[C@H]1CCc2ccccc21	160641767	QURLYAKBJHVIRZ-CABCVRRESA-N	275.392	2.630	70	20	CFID	
CO[C@]1(C)C[C@@H](NC(=O)C[C@H](C)c2ccncc2)C1(C)C	160953192	AMBJBCBPALRKOJ-DXCKQFNASA-N	290.407	2.895	70	20	CFID	
Cc1nccc(NC(=O)N2CCOC[C@H]2C2CC2)c1Cl	159857592	XJYHYHMDUYEDAK-LBPRGKRZSA-N	295.770	2.686	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)NC[C@H]1CCCN1CC	159578838	MEZQOEXTHCUHFE-GDBMZVCRSA-N	296.455	2.715	70	20	CFID	
CCOC(=O)C[C@H](C)Nc1nc(C(C)(C)C)ns1	159973272	BXSZIIYRKLJXHJ-QMMMGPOBSA-N	271.386	2.589	70	20	CFID	
COc1cc(NCc2cc(C(N)=O)cs2)ccc1F	160007692	ZSBHSUKWOJCNQE-UHFFFAOYSA-N	280.324	2.607	70	20	CFID	
C=CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673256	XGDLGLUEXIQYNT-UHFFFAOYSA-N	289.303	2.635	70	20	CFID	
O=S(=O)(Cl)CCCCCOCc1ccccc1	113155855	MIQMFMXPQMXMRF-UHFFFAOYSA-N	276.785	2.942	70	20	CFID	
CC(C)(C)NC(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@H]12	161050599	CVDSKXZOBJUILE-RDBSUJKOSA-N	258.365	2.813	70	20	CFID	
C[C@@H]1Sc2ccccc2N(CC(=O)N(C)C2CC2)[C@@H]1C	161260878	UXAXFFUUENEMSG-NEPJUHHUSA-N	290.432	2.997	70	20	CFID	
Cc1cc(C(=O)NCC(C)(C)N)c(C)n1Cc1ccccc1	160016066	FHLKWMFKHVYCIG-UHFFFAOYSA-N	299.418	2.620	70	20	CFID	
CCCCN(C)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	160037247	ZJOVASSMVAMTLD-UHFFFAOYSA-N	291.395	2.713	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)CCc1cc(Cl)cs1	160724158	REMAROGODWKVQB-NSHDSACASA-N	289.828	2.857	70	20	CFID	
CCc1ccc(C(C)(C)CNC(=O)C[C@H]2CCCN2)cc1	160870168	YOAARJGNEAPLIF-MRXNPFEDSA-N	288.435	2.785	70	20	CFID	
CCC[C@H](C)c1cc(NC(=O)[C@H]2CC[C@H](C)O2)[nH]n1	159814139	UJUZIMVBZVDGLV-JBLDHEPKSA-N	265.357	2.819	70	20	CFID	
C[C@H]1CC[C@H](CC(=O)NC[C@]2(O)CCc3ccccc32)C1	159435111	LXPCZVZDQYOCHN-SUNYJGFJSA-N	287.403	2.763	70	20	CFID	
CN(CCC1CC1)C(=O)Nc1ccc2c(c1)N(C)CCO2	159635194	LPCRZPAXWOEJEG-UHFFFAOYSA-N	289.379	2.779	70	20	CFID	
CCOCCC1(C(=O)NCc2ccn(C)c2)CCCC1	159475301	IERDCCIPHVWXGD-UHFFFAOYSA-N	278.396	2.628	70	20	CFID	
CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCO1	159874617	UNRQPDIEJXSUGN-CYZMBNFOSA-N	295.329	2.706	70	20	CFID	
Cc1noc(NC(=O)CC2CCC(C)(C)CC2)n1	159888511	NUCFSOLTSSRBLK-UHFFFAOYSA-N	251.330	2.923	70	20	CFID	
CNC[C@@H](C)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C	159968192	DHKQWNVVHVGODF-KGLIPLIRSA-N	262.397	2.678	70	20	CFID	
Cc1cc(F)ccc1OCc1nnc2n1CCCC2	217323345	KUIIJZNSQDBDEG-UHFFFAOYSA-N	261.300	2.641	70	20	CFID	
COc1ccc(F)cc1CN1[C@H]2CC[C@H]1CC(=O)C2	217795831	NHPAWSSWDZARAK-STQMWFEESA-N	263.312	2.530	70	20	CFID	
CCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CC1	161395887	LJUGFMDDRCGAJT-UHFFFAOYSA-N	277.393	2.586	70	20	CFID	
C=C[C@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	188068728	RHGTVDMCPHWPAU-CYBMUJFWSA-N	285.340	2.886	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccccc1F	460089939	GFGFJYWVKTVDKE-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
CCOc1cc(F)ccc1NC(=O)N[C@@]1(C)CCOC1	161291664	LRRUINMTHAAWAL-AWEZNQCLSA-N	282.315	2.525	70	20	CFID	
Cc1cccc(C)c1OCCN[C@H](C)c1cnccn1	160274179	BNZNEVVFRPDWFK-CQSZACIVSA-N	271.364	2.823	70	20	CFID	
C[C@H](NC[C@H](C)N1CCc2sccc2C1)[C@@H]1CCOC1	159851791	KEABZKZBYMNPRE-KCQAQPDRSA-N	294.464	2.509	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCc2ccccc21	159679470	NZCXUCKPSRPHRA-HOCLYGCPSA-N	284.403	2.840	70	20	CFID	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[C@@H]2N)C1	159881447	VEUFTBSOTSCNEU-WTTBNOFXSA-N	286.419	2.827	70	20	CFID	
O=C(CCc1cccnc1)N[C@H]1CCOC2(CCCC2)C1	159729278	GBEVFSGZRAQOAC-HNNXBMFYSA-N	288.391	2.622	70	20	CFID	
COCCCCCNCc1cnc2ccccc2n1	218240530	DJMIUJBLCAFHGX-UHFFFAOYSA-N	259.353	2.536	70	20	CFID	
Cc1nc(NC(=O)c2cncs2)ccc1Br	218169291	RUHAFBIDVPDQFJ-UHFFFAOYSA-N	298.165	2.861	70	20	CFID	
CSCCCCC(=O)N1CCC(NCC2CC2)CC1	159763884	IONGLLBURWMFIQ-UHFFFAOYSA-N	284.469	2.510	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1oc2ccc(F)cc2c1C	160116677	ZZJKAOFJLXDSJU-NSHDSACASA-N	279.311	2.771	70	20	CFID	
CC(C)c1cc(=O)n(CC(=O)c2ccc(Cl)cc2)cn1	160652466	XXJQHMPJULCYIU-UHFFFAOYSA-N	290.750	2.903	70	20	CFID	
O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCCCCC1	160929453	BUZXHROGWGRHKG-MCIONIFRSA-N	278.396	2.530	70	20	CFID	
CCC(CC)(CN)C(=O)N[C@@H]1CCc2c(C)cccc21	161215636	AEGKRXNYLLXJOP-OAHLLOKOSA-N	274.408	2.864	70	20	CFID	
CC1(C)C[C@H]1CNc1ccccc1S(C)(=O)=O	217485093	VZEKWSDHDGXOMM-JTQLQIEISA-N	253.367	2.548	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N1CC[C@@H](C)[C@H]1C	160701260	JJAPKYXHEVFSHK-PSASIEDQSA-N	252.745	2.914	70	20	CFID	
CC[C@H](NC(=O)Nc1ccc(OC)c(F)c1)[C@@H]1CCCO1	161128776	NUMOPMQBQMDBCW-JSGCOSHPSA-N	296.342	2.913	70	20	CFID	
COc1cc(F)c(C(=O)N2CCC[C@H](C)C2)cc1OC	161160297	QTFHPDBUCIWFPF-JTQLQIEISA-N	281.327	2.715	70	20	CFID	
COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCCO2)cc1	161328451	CUNIATHDUJETIE-CVEARBPZSA-N	289.375	2.928	70	20	CFID	
C[C@H](NCC1(c2ccc(F)cc2)CC1)c1cnccn1	161359918	FZQOVMGBVBHGAP-LBPRGKRZSA-N	271.339	2.998	70	20	CFID	
C[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H](C)C1	161462289	BUJHDZUGHRNFOH-ZIAGYGMSSA-N	298.390	2.776	70	20	CFID	
Cc1noc(C)c1CCS(=O)(=O)C1CCCCC1	160017075	IIVVSCOYHAKIGZ-UHFFFAOYSA-N	271.382	2.581	70	20	CFID	
C[C@@H](O)CN(C)C(=O)c1ccc(CCC(F)(F)F)cc1	160092202	NJCIDFJTUOXYSD-SNVBAGLBSA-N	289.297	2.634	70	20	CFID	
Cc1nc(C)c(C)c(N[C@H]2CCO[C@H](C3CC3)C2)n1	160386890	XYPGVIMECUHOAY-KBPBESRZSA-N	261.369	2.771	70	20	CFID	
C[C@H](CC(=O)N(C)CCc1ccncc1)c1ccncc1	159625495	RTKOWYVMTFICPG-CQSZACIVSA-N	283.375	2.671	70	20	CFID	
CC[C@@H](c1ccc(Cl)cc1)N(C)CC(C)(CO)CO	159575241	MEUDHODBVZFVHM-AWEZNQCLSA-N	285.815	2.714	70	20	CFID	
CCc1ccc([C@H](C)C(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159793215	MYIUOPFGRGNXDQ-LBPRGKRZSA-N	284.359	2.988	70	20	CFID	
C[C@H](NC(=O)C[C@H](C)[C@H]1CCCNC1)c1cccs1	160729903	JSXKVPDLOFPKIC-AVGNSLFASA-N	280.437	2.951	70	20	CFID	
CC[C@H](O)CN(Cc1ccccc1)c1ccnc(C)n1	161012589	JIKVIKHABZYWDQ-HNNXBMFYSA-N	271.364	2.563	70	20	CFID	
CC(C)OCC1(CS(=O)(=O)Cl)CCCCC1	114474564	DHCMEBIBJWYOTD-UHFFFAOYSA-N	268.806	2.931	70	20	CFID	
CCc1oc2ccccc2c1CNCc1nncn1CC	218221724	LMTURELZVWKOGG-UHFFFAOYSA-N	284.363	2.896	70	20	CFID	
CCO[C@H]1CCCN(C[C@@H](O)c2cc3ccccc3o2)C1	216982847	SYUXZEXRLFKMTP-LSDHHAIUSA-N	289.375	2.967	70	20	CFID	
C[C@H](CO)N(C)Cc1ccc(Br)cc1Cl	161066935	PORHTUFLTJGNSK-MRVPVSSYSA-N	292.604	2.915	70	20	CFID	
CC[C@H](NC(=O)[C@H](N)C(C)C)c1ccc(F)cc1F	161209808	BGFKKJSQVLRMIO-QWHCGFSZSA-N	270.323	2.515	70	20	CFID	
COC(=O)c1ccc(Cn2nc(C3CC3)nc2C2CC2)cc1	161425243	UTKJNJZXSVNCDU-UHFFFAOYSA-N	297.358	2.868	70	20	CFID	
CCc1noc(C)c1CSCC(=O)NCC(C)C	160061665	GFLQOVBIWPEJFA-UHFFFAOYSA-N	270.398	2.551	70	20	CFID	
Cc1nc(NC(=O)CC[C@@H]2CCCO2)cc(C2CC2)n1	160128889	HLFPHWSRDBNWLR-LBPRGKRZSA-N	275.352	2.560	70	20	CFID	
CO[C@@H](C)c1noc(CSCCc2c(C)noc2C)n1	160150536	FIDNRGAGPOVYMD-JTQLQIEISA-N	297.380	2.858	70	20	CFID	
COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCCCO1	160261418	BBBHFFXFPRKYIA-CQSZACIVSA-N	297.782	2.876	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3cccs3)[nH]2)o1	160328274	AZDMJMZCJULACD-UHFFFAOYSA-N	274.305	2.687	70	20	CFID	
COC[C@H](NCCCCc1nc(C)cs1)C1CC1	160725113	BEUMQXKDFGUEIZ-ZDUSSCGKSA-N	268.426	2.789	70	20	CFID	
O=C(C[C@@H]1CCCN1)NC1(c2cccc(Cl)c2)CC1	160523170	IJJUQXPLVVOQLZ-ZDUSSCGKSA-N	278.783	2.587	70	20	CFID	
CC[C@H](C(=O)N(C)C[C@H]1CCOC1)c1ccc(F)cc1	160794719	VVUIJBYOFHCUSA-DOMZBBRYSA-N	279.355	2.814	70	20	CFID	
O=C(CC1(CCc2ccccc2)CCCC1)NCCO	159423238	BGBZSTTWJGKAQJ-UHFFFAOYSA-N	275.392	2.678	70	20	CFID	
CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F	159436429	VKGLFPZOSJTHKG-QWRGUYRKSA-N	284.350	2.871	70	20	CFID	
CCCC1(CNC(=O)Nc2ccc(-n3ccnn3)cc2)CC1	159632211	NBSFVCGWQMBNSH-UHFFFAOYSA-N	299.378	2.969	70	20	CFID	
Cc1c(C(=O)N(C)Cc2ccccn2)cnn1CC(C)C	159445160	QQRKNIUGJXXDGD-UHFFFAOYSA-N	286.379	2.515	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NC2CCN(C3CC3)CC2)on1	159373131	TYQWWLUNESIZDP-LLVKDONJSA-N	291.395	2.545	70	20	CFID	
CCOc1ccc([C@](C)(F)CS(=O)(=O)Cl)cc1	1537959028	VACPMMPJVDFHTI-LLVKDONJSA-N	280.748	2.839	70	20	CFID	
CC(C)OCCCNC(=O)NCCc1cccc(Cl)c1	217461056	JDTYFKQWRLCPQC-UHFFFAOYSA-N	298.814	2.997	70	20	CFID	
CC(C)N(C)C(=O)c1ccc(Br)c(O)c1	159521872	LTFSGOCITRRZDL-UHFFFAOYSA-N	272.142	2.635	70	20	CFID	
CC[C@H](COC1CCCC1)CS(=O)(=O)Cl	114472578	ZIWDNHMLXSPJTA-SECBINFHSA-N	254.779	2.540	70	20	CFID	
O=C(CC[C@H]1CCCO1)N1CCc2c(F)cccc2C1	161049494	ZKGWOYPRWAOZDT-CYBMUJFWSA-N	277.339	2.670	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)Cc1cnn(C)c1	161314515	PYYXFXVNUHFIBO-STQMWFEESA-N	289.404	2.552	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)N[C@H](C)C1CCOCC1	160458269	FGULEAKQGWNOSX-VXGBXAGGSA-N	256.390	2.535	70	20	CFID	
CC1(C)C[C@@H](NCc2c[nH]nc2C(C)(C)C)CCO1	160555716	TZEUEFUHBJGBGM-LBPRGKRZSA-N	265.401	2.754	70	20	CFID	
Cc1noc(C)c1C(=O)Nc1cccc(OCCF)c1	160667621	RAWNHZJTQUVHLT-UHFFFAOYSA-N	278.283	2.892	70	20	CFID	
CN(Cc1nccn1C(F)F)Cc1cnc2ccccn12	160812851	AVWSRBOEHYOXED-UHFFFAOYSA-N	291.305	2.558	70	20	CFID	
CN(C)c1ccc(C(=O)N[C@H]2CCCSC2)c(F)c1	160836747	JYSJFRUTSKNLDY-JTQLQIEISA-N	282.384	2.517	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)[C@@H]1CCNC(=O)C1	160925329	WGQIIRJBYVAZNV-LLVKDONJSA-N	292.404	2.652	70	20	CFID	
COc1c(C)cnc(CN(C[C@H]2CCOC2)C2CC2)c1C	160968908	KEAJYEKJJDYCPQ-CQSZACIVSA-N	290.407	2.708	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCCCCCOC)o1	159531889	SVVKNYMOCLBSII-MDZDMXLPSA-N	265.353	2.788	70	20	CFID	
C[C@H]1C[C@H](N)CCN1Cc1cccc2cccnc12	159450721	CAOVVNCVIPSVTL-SWLSCSKDSA-N	255.365	2.546	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1ccc(COC(C)C)cc1	160122771	OICPMIFPWWJLGZ-HNNXBMFYSA-N	279.380	2.502	70	20	CFID	
O=C(Nc1ccsc1)c1ccc(S(=O)(=O)F)cc1	864239209	CFOMZSPACPKUJQ-UHFFFAOYSA-N	285.321	2.659	70	20	CFID	
NC(=O)c1cnccc1N[C@@H]1CCCc2sccc21	161052598	LXQQDGFYYCMCMR-LLVKDONJSA-N	273.361	2.732	70	20	CFID	
C[C@H](N(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1(C)CC1	161098776	ABCDSDMPKDRQDF-FQUUOJAGSA-N	292.423	2.774	70	20	CFID	
Cc1nc2ccccn2c1CN1CCSC(C)(C)C1	161309834	RVBWAAHPYUDWER-UHFFFAOYSA-N	275.421	2.970	70	20	CFID	
Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)ccc1C(N)=O	161345468	TYNFZUHHCNRRGL-ZYHUDNBSSA-N	289.379	2.604	70	20	CFID	
COc1ccc([C@H](C)[C@@H](C)NC2CCN(C)CC2)cc1	161492581	GCHUCWTYHYSYKO-ZIAGYGMSSA-N	276.424	2.871	70	20	CFID	
COc1cc(C)ccc1CNc1cc(=O)n2ccccc2n1	160524647	JWZVMEPSFREJQG-UHFFFAOYSA-N	295.342	2.624	70	20	CFID	
Cc1[nH]ccc1C(=O)Nc1cccc(OCCF)c1	160552424	FQXMOKFALIUVDZ-UHFFFAOYSA-N	262.284	2.924	70	20	CFID	
CC[C@@H](C(=O)NOCc1cccnc1)c1ccccc1	160792963	ZKLGBRZKZIVDGK-OAHLLOKOSA-N	270.332	2.823	70	20	CFID	
CS[C@H](C)CNC(=O)Nc1cccnc1OC(C)C	160838339	CUDYPEIQLIOUQM-SNVBAGLBSA-N	283.397	2.742	70	20	CFID	
C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1cnccn1	160864026	IPVRAQYKWIQQGC-GJZGRUSLSA-N	284.407	2.648	70	20	CFID	
CCS[C@H]1CCC[C@@H](N[C@@H]2CCN(C)C[C@@H]2C)C1	159406022	IWIPOTOUORYIKL-LJISPDSOSA-N	270.486	2.981	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(=O)c1cccs1	159603068	DZQDBULEVOSYPA-NEPJUHHUSA-N	294.420	2.515	70	20	CFID	
CN(C)c1ccc(C(=O)NCC2(C3CC3)CC2)c(F)c1	159641403	WWFOYAALZDDCBK-UHFFFAOYSA-N	276.355	2.812	70	20	CFID	
Cc1cc(NC(=O)c2ccccc2OCC2CC2)c[nH]c1=O	159647611	KJCKVWOWBJTYPD-UHFFFAOYSA-N	298.342	2.724	70	20	CFID	
C[C@H](C(=O)NCC1CCCCC1)N(C)Cc1cccnc1	159453314	OSIFLQDUQNCBPU-CQSZACIVSA-N	289.423	2.598	70	20	CFID	
CCC(CC)N(CC(C)C)C(=O)N[C@H]1CCOC1	159462664	AHWFDEGHLWPKSD-LBPRGKRZSA-N	256.390	2.632	70	20	CFID	
c1ccc(-c2nccc(N3CCOC[C@@H]3C3CC3)n2)cc1	159660090	MGWOKXBIEYVJDY-OAHLLOKOSA-N	281.359	2.759	70	20	CFID	
COCCN(CC(F)F)C(=O)C1CCC(C)(C)CC1	159871111	DYFONIUSHNAYDL-UHFFFAOYSA-N	277.355	2.943	70	20	CFID	
COc1cccc([C@H](C)C(=O)NCC2(N)CCCCC2)c1	159495224	XAPPGXHFFLGSKY-ZDUSSCGKSA-N	290.407	2.577	70	20	CFID	
NC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1	217028371	DEPVSLFVDXRXQX-UHFFFAOYSA-N	288.178	2.948	70	20	CFID	
CCCn1nccc1CNCc1ccc(F)cc1F	160131399	DIEOYWYDYNXDFM-UHFFFAOYSA-N	265.307	2.861	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)cc1Cl	161111689	ZLVWFBMFZTXROY-NWDGAFQWSA-N	266.772	2.648	70	20	CFID	
COCC(=O)Nc1ccccc1-c1csc(C)n1	218590969	DVCWYXZNTAMROI-UHFFFAOYSA-N	262.334	2.703	70	20	CFID	
O=C(CCC1CCCCC1)N1CCc2ncncc2C1	218051037	KXFVCICZMJVJMQ-UHFFFAOYSA-N	273.380	2.722	70	20	CFID	
CCc1nc(C)c([C@H](C)N(C)CCn2ccnc2)s1	159848808	UNQRAAKSMLUGFD-LBPRGKRZSA-N	278.425	2.903	70	20	CFID	
CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(C)c(F)c(C)c1	160040121	XMEWNJFIGVZQRH-RNCFNFMXSA-N	267.344	2.579	70	20	CFID	
CN(Cc1csc2ccccc12)Cc1nncn1C	160791322	LSKSKIKMBHZXSO-UHFFFAOYSA-N	272.377	2.662	70	20	CFID	
C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)Cl	307329755	MJHNHRLZYOULEN-SNVBAGLBSA-N	273.785	2.771	70	20	CFID	
Cc1nc(C2(NCc3cccs3)CCCC2)no1	161364761	UGRAZHRUQYOEMD-UHFFFAOYSA-N	263.366	2.999	70	20	CFID	
CC(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	161496421	WKAJGGYZCUSRHJ-GFCCVEGCSA-N	284.400	2.500	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCc1ccccc1Cl	160005345	MHMSWTKSZBPCBO-NSHDSACASA-N	297.782	2.731	70	20	CFID	
Cc1cc(C)cc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1	160304478	WAUHNLWUTJDOFP-BBRMVZONSA-N	284.407	2.869	70	20	CFID	
CCCC1(CNC(=O)CCCNC(=O)OC(C)(C)C)CC1	160486597	ZDDLEECCBXVIPG-UHFFFAOYSA-N	298.427	2.988	70	20	CFID	
CC1(C)C[C@H](NCc2cccc3cn[nH]c23)CCO1	160590881	MISPUUNLMFTDGS-CYBMUJFWSA-N	259.353	2.610	70	20	CFID	
COc1ccc(CN(CC(OC)OC)[C@@H](C)C2CC2)cc1	160669079	TYFMAJJJTOVDIT-ZDUSSCGKSA-N	293.407	2.915	70	20	CFID	
C[C@@H](O)CN(C)[C@H](C(=O)Nc1ccccc1)c1ccccc1	159427654	ADSDMSPXDQAULR-PBHICJAKSA-N	298.386	2.679	70	20	CFID	
O=C(CCC1CCOCC1)N[C@@H]1CCOC2(CCCC2)C1	159886577	AYYCYGZUKIHLQQ-OAHLLOKOSA-N	295.423	2.801	70	20	CFID	
O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCCCO1	159728824	AATRZJZPSQZNAG-GFCCVEGCSA-N	289.360	2.713	70	20	CFID	
CCCCn1ncc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1C	159751665	OEKAYDHQFHJLPC-TXEJJXNPSA-N	294.399	2.633	70	20	CFID	
CC(C)(C)C(=O)CNC(=O)C1C2CC3CC(C2)CC1C3	160159773	CASQXIDHXGLRSK-UHFFFAOYSA-N	277.408	2.790	70	20	CFID	
Cc1cc(C)c2c(c1)OCC(S(=O)(=O)Cl)=C2	100645319	CUSZAGGOLZLEEX-UHFFFAOYSA-N	258.726	2.605	70	20	CFID	
CC(C)n1nccc1C(=O)Nc1ccnn1[C@@H](C)C1CC1	161423089	HIQXSGGHNWCMLI-NSHDSACASA-N	287.367	2.884	70	20	CFID	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@@H]1CC1(C)C	160039110	VKFDRJRJRHSJDO-FYYVMTAXSA-N	293.432	2.990	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2cccc(F)c2o1	160111730	HXAZRQGVWPYLQS-VIFPVBQESA-N	293.294	2.643	70	20	CFID	
CC[C@@H](CC(=O)NCCN(C)CC)c1ccc(C)cc1	160146698	MJFNQQFSPGGLGD-HNNXBMFYSA-N	276.424	2.947	70	20	CFID	
COCCC1(CNC(=O)NC[C@@H](C)SC)CCCC1	160371239	VYYZOCXKKPAEGV-GFCCVEGCSA-N	288.457	2.634	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1nc(-c2ccccc2)ns1	160535412	RZIJZQWNFABDQP-SNVBAGLBSA-N	291.376	2.959	70	20	CFID	
c1ccc([C@@H]2C[C@H](Nc3ncccn3)CCO2)cc1	160617111	QZVKBYMQSWSAEX-KGLIPLIRSA-N	255.321	2.809	70	20	CFID	
CC[C@H](COC)NCCCCc1nc(C)cs1	160706891	DNNMNHKPUUHTGF-GFCCVEGCSA-N	256.415	2.789	70	20	CFID	
Cc1ccc(F)c(OCC(=O)N[C@@H](C)C[C@@H]2CCCO2)c1	160685192	KNXFUBNJEXAQHE-STQMWFEESA-N	295.354	2.587	70	20	CFID	
CC/C(=C/C(=O)NCCc1cnn(C)c1)c1ccc(C)cc1	160932435	QZBCOPOGGAEHTI-WJDWOHSUSA-N	297.402	2.881	70	20	CFID	
CN(C)c1ccc(C(=O)NCCOC2CCCC2)c(F)c1	159614774	FONHVUYAALERBD-UHFFFAOYSA-N	294.370	2.581	70	20	CFID	
COC(C)(C)CNC[C@H](O)c1cccc(C(F)(F)F)c1	160248518	HZQDPMGEGZSASB-LBPRGKRZSA-N	291.313	2.753	70	20	CFID	
CCC(CC)(CN)C(=O)N1CCS[C@H]2CCCC[C@@H]21	161247474	UZVHXIYIULGJKU-STQMWFEESA-N	284.469	2.638	70	20	CFID	
C[C@H](CSCc1ccccc1)C(=O)Nc1cc[nH]n1	161064300	XSHVBHRVDNYYRE-LLVKDONJSA-N	275.377	2.918	70	20	CFID	
Cc1ccc(-c2cc(CN(C)[C@H](CN)C3CC3)on2)cc1	160018255	NUEPYNTYAAREPY-QGZVFWFLSA-N	285.391	2.819	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CC1CCCC1	160103439	PXEBEYLOOPGDGA-HUUCEWRRSA-N	294.439	2.768	70	20	CFID	
CCC[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160219715	LZGIVPQQZPAWDO-MRVPVSSYSA-N	262.313	2.748	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc3c(c1)CCC3)CC2	160383371	YKLMBOJYXHFYOI-PXAZEXFGSA-N	296.418	2.741	70	20	CFID	
CCC(CC)CNC(=O)N(C)Cc1ccc2c(c1)OCO2	160603339	GCDCFVGNIXSMFI-UHFFFAOYSA-N	292.379	2.993	70	20	CFID	
C[C@@H](C(=O)N1CCC[C@H](N2CCCC2)C1)c1cccs1	159400184	ILNVKPPQXKUGCW-KGLIPLIRSA-N	292.448	2.938	70	20	CFID	
CCc1noc(C)c1CSCc1nc(C)no1	159681274	KQOFSDBNYRUITN-UHFFFAOYSA-N	253.327	2.670	70	20	CFID	
CCC[C@H](C)c1cc(NC(=O)[C@H]2CCCCO2)[nH]n1	159707349	GNTPGGMATJSWSB-CMPLNLGQSA-N	265.357	2.821	70	20	CFID	
O=C(Nc1cccc2ncccc12)[C@H]1CCCCO1	159778956	FDPZJKYQFBOQFE-CQSZACIVSA-N	256.305	2.742	70	20	CFID	
C[C@@H](NC1CCN(C2CCCC2)CC1)c1cnccn1	160477808	KHRBJFJUONXYOF-CYBMUJFWSA-N	274.412	2.534	70	20	CFID	
CCCCN(CCCC)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217288536	MKKCYEMIECNQMO-CQSZACIVSA-N	297.443	2.608	70	20	CFID	
CS[C@H](C)C(=O)N[C@H]1CCCc2sccc21	159932279	PVOCUKZYLGSAKL-SCZZXKLOSA-N	255.408	2.993	70	20	CFID	
Cc1ccnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1	160214047	MPAMMBBKWXKWHK-XJKSGUPXSA-N	282.391	2.717	70	20	CFID	
C[C@@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CC=CCC1	1517958755	ZBWRPPIEFLNMEN-CQSZACIVSA-N	297.351	2.573	70	20	CFID	
CC(C)n1cc([C@H](C)N[C@H]2CCC[C@H](N(C)C)C2)cn1	161123117	KMJQNSCDHJOALR-BPUTZDHNSA-N	278.444	2.987	70	20	CFID	
Cc1ccc(C(=O)CCN(C)CCCn2ccnc2)cc1	161209159	CMDKCNCLFKUOJP-UHFFFAOYSA-N	285.391	2.786	70	20	CFID	
O=C(Cc1cccs1)N[C@@H]1CCOC2(CCCC2)C1	161369687	SIVWESUXBBBAPS-GFCCVEGCSA-N	279.405	2.899	70	20	CFID	
CCOCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161492134	WMHREOFTAPNEBH-UHFFFAOYSA-N	277.324	2.652	70	20	CFID	
C[C@H]1CCN(C(=O)NCc2ccc(O)cc2)C[C@@H]1C	160129191	AIHDRVLMPDAAQT-RYUDHWBXSA-N	262.353	2.580	70	20	CFID	
COC[C@@H]1CCCN(C(=O)[C@@H](C)c2ccsc2)C1	160208118	SZPOWBUPHBCORL-NWDGAFQWSA-N	267.394	2.737	70	20	CFID	
CC1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160315672	ZKINPODKMRLELL-UHFFFAOYSA-N	290.289	2.709	70	20	CFID	
CO[C@@]1(C)C[C@@H](NCc2ccccc2NC(C)=O)C1(C)C	160511881	CODOOPPEMDYLKN-WBVHZDCISA-N	290.407	2.938	70	20	CFID	
Cc1ccc(CN(Cc2nncn2C)C(C)C)s1	160847216	PXEXKZOTSFFRIG-UHFFFAOYSA-N	264.398	2.596	70	20	CFID	
COC(=O)c1csc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1	160900594	PNHYLRQGZIHDST-WCBMZHEXSA-N	282.365	2.845	70	20	CFID	
CC(C)c1cc(=O)n(Cc2csc(C3CC3)n2)cn1	160925730	LNDUHQDQZHXPSE-UHFFFAOYSA-N	275.377	2.749	70	20	CFID	
CC[C@@H]1CCCN(C(=O)CCCc2nc(C3CC3)no2)C1	159721196	LCPPUCBOMKXVLW-GFCCVEGCSA-N	291.395	2.918	70	20	CFID	
CC(C)Oc1ccc(Cl)cc1C(=O)NCC(C)(C)N	159937483	ASFOHLJQSYNNEN-UHFFFAOYSA-N	284.787	2.594	70	20	CFID	
CC(C)[C@@H](CC(=O)NCC(C)(C)N)c1ccccc1	159940996	YXBGXVPFJJRLMS-CQSZACIVSA-N	262.397	2.670	70	20	CFID	
C[C@@]1(C(=O)N2CC3(CCCC3)c3ccccc32)CCNC1	159367986	JABZDEUHCKNFFW-QGZVFWFLSA-N	284.403	2.845	70	20	CFID	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CCCNC1	217822215	BSGUNXXTIPEOHU-TUVASFSCSA-N	266.429	2.563	70	20	CFID	
CCSCC[C@@H](C)NC(=O)[C@H]1CNc2ccccc21	160219470	NOXRIQOPPACDNJ-YPMHNXCESA-N	278.421	2.844	70	20	CFID	
C[C@@H](COCCC(C)(C)C)CS(=O)(=O)Cl	116968290	SWJBULHBEQWXII-VIFPVBQESA-N	256.795	2.644	70	20	CFID	
COCC[C@H](C)NC[C@H](C)COCc1ccccc1	161309380	GKMDJAPCHCUZLS-GJZGRUSLSA-N	265.397	2.854	70	20	CFID	
CCC(C)(C)OCCCCCS(=O)(=O)Cl	112155353	GBXBXYIVAIDUJO-UHFFFAOYSA-N	256.795	2.931	70	20	CFID	
CC[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cl	88251403	IJNXCXAXXIOCMH-SECBINFHSA-N	263.702	2.615	70	20	CFID	
C=CCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1338400177	HLJAWYCLDCWFNN-LLVKDONJSA-N	299.367	2.819	70	20	CFID	
CC[C@H](CC(=O)O)c1ccc(S(=O)(=O)Cl)cc1	100646562	DOINWVNEDSCTLP-MRVPVSSYSA-N	276.741	2.582	70	20	CFID	
COC(CN(C)[C@H](c1ccccc1)C(C)C)OC	161087603	QUOKIJQJXMLNEE-HNNXBMFYSA-N	251.370	2.934	70	20	CFID	
CC(=O)NC[C@@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1	161422704	KCCYZBIFVPBNGT-AWEZNQCLSA-N	294.439	2.578	70	20	CFID	
CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@@H](CN)C1CC1	160068544	WYPGJQVAUFIHBR-AWEZNQCLSA-N	289.354	2.650	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CC[C@@H]1CCOC1	160113989	JHNIZVWFMWHDDC-IUODEOHRSA-N	289.375	2.615	70	20	CFID	
O=C(CC[C@@H]1CCCO1)N[C@@H]1CCOC2(CCCCC2)C1	160324896	ZXJUMOKLDLJTMI-CABCVRRESA-N	295.423	2.944	70	20	CFID	
CCOC[C@H]1CCCN(Cc2cnc3ccccn23)C1	160410979	ACWFKFZXCKRKFC-AWEZNQCLSA-N	273.380	2.583	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(F)(F)F	160677189	POIHUTGCIOORFU-SFYZADRCSA-N	263.284	2.839	70	20	CFID	
C[C@@H](CCC1CCCCC1)NC(=O)[C@H]1CCCNC1	160915789	XFQIDMDIIQYVQH-ZFWWWQNUSA-N	266.429	2.851	70	20	CFID	
COCCOc1cccc(CC(=O)N2CCCC[C@@H]2C)c1	159627817	SOMJSBYJXHCCCI-AWEZNQCLSA-N	291.391	2.655	70	20	CFID	
C[C@H]1CC[C@@H](CC(=O)NC[C@]2(O)CCc3ccccc32)C1	159435351	LXPCZVZDQYOCHN-PMUMKWKESA-N	287.403	2.763	70	20	CFID	
C[C@@H]1CC[C@H](CC(=O)NCC2(N)CCCCC2)C1	159646838	OFZUCWQUXRYDDO-OLZOCXBDSA-N	252.402	2.591	70	20	CFID	
Cc1cccc(C)c1OCCN(C)C[C@@H]1CCC[C@@H]1O	159844312	QSJLQODXHISXGL-HOTGVXAUSA-N	277.408	2.775	70	20	CFID	
Cc1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1	159657423	NURCLROFXNLJSW-IRXDYDNUSA-N	286.419	2.876	70	20	CFID	
C[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccccc1	218461129	HKPUMDHSXFAMIP-UKRRQHHQSA-N	281.421	2.629	70	20	CFID	
C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](N)C1	217507378	LRMOUXVXWFMUOK-CMPLNLGQSA-N	270.323	2.772	70	20	CFID	
CCc1ncnc(NCCCN2CCCC[C@H]2C)c1F	217960597	QDIYNQKAYGYAIL-GFCCVEGCSA-N	280.391	2.855	70	20	CFID	
CC(C)(C)C[C@H](CO)NC(=O)c1ccc2c(c1)CCC2	159944737	GLNRSEOYCCCVJQ-OAHLLOKOSA-N	275.392	2.702	70	20	CFID	
C[C@H]1CCCC[C@@H]1OCCCS(=O)(=O)Cl	112155158	LQGJQLNRFXQAKW-UWVGGRQHSA-N	254.779	2.540	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864239354	ILDKXMWSDUWBTJ-VHSXEESVSA-N	287.356	2.509	70	20	CFID	
C[C@H](CCC1CC1)NC(=O)c1ccc(S(=O)(=O)F)cc1	864241259	PIHJEOZCYCHWEL-SNVBAGLBSA-N	299.367	2.653	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCCS1	160997298	NMXLJXDLDWRJOJ-BXKDBHETSA-N	283.418	2.721	70	20	CFID	
COc1cc(CS(=O)(=O)Cl)ccc1OC(C)C	309801410	MNIMKUZXKHQSLW-UHFFFAOYSA-N	278.757	2.551	70	20	CFID	
CCNCCNCc1ccc(Br)cc1Cl	161317066	RSNSKQSJGYXLMD-UHFFFAOYSA-N	291.620	2.802	70	20	CFID	
CNC[C@H]1CCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1	161357244	RZDWMMNSNAGIDA-XJKSGUPXSA-N	292.398	2.605	70	20	CFID	
CCOc1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1F	161459148	QNGKRYIJPWBCEO-AWEZNQCLSA-N	282.315	2.525	70	20	CFID	
CC[C@H](NC(=O)NCCc1ccncc1C)c1ccncc1	161485278	XPOWPMRISFBBHK-INIZCTEOSA-N	298.390	2.778	70	20	CFID	
Fc1cccc(CSCCN2CCOCC2)c1F	160051459	SAGANFHLBFZGGG-UHFFFAOYSA-N	273.348	2.530	70	20	CFID	
CC[C@H](NC(=O)c1cccn1C)c1c(C)noc1C	160217491	UTUBSMZLJYEBEG-NSHDSACASA-N	261.325	2.511	70	20	CFID	
CC(C)c1ccc(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)cn1	160221888	ZINATKPQJCWQQI-DOTOQJQBSA-N	290.407	2.876	70	20	CFID	
C[C@@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)C[C@@H]1C	160226059	OTKSPZBQBATVLK-RQJHMYQMSA-N	290.339	2.986	70	20	CFID	
Cc1c(CNC(=O)NCCCC2CCCCC2)cnn1C	160312257	JGLIXPBKCXCBNU-UHFFFAOYSA-N	292.427	2.888	70	20	CFID	
CCC[C@@H](O)CNC(=O)COc1cc(C)c(Cl)c(C)c1	160412445	LURWTHBKYNJRCN-GFCCVEGCSA-N	299.798	2.613	70	20	CFID	
COC(=O)c1csc(NC(=O)N[C@H]2CCC[C@H]2C)c1	160900246	PNHYLRQGZIHDST-SCZZXKLOSA-N	282.365	2.845	70	20	CFID	
C[C@H](N[C@@H](CCCO)c1ccccc1)C1CCN(C)CC1	160903550	MBFGPCLDKZLTNE-YJBOKZPZSA-N	290.451	2.820	70	20	CFID	
Cc1cc(NC(=O)Cc2c[nH]c3c(C)cccc23)c[nH]c1=O	159667062	LRLHHMCCTFQXQT-UHFFFAOYSA-N	295.342	2.654	70	20	CFID	
CCC[C@](C)(O)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	159694533	RZJICLMUWMIUJO-HIFRSBDPSA-N	283.412	2.536	70	20	CFID	
CN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[C@@H]1O	159712086	UEPJMGYCZFBVDC-JSGCOSHPSA-N	285.334	2.881	70	20	CFID	
CCC(CC)[C@H](CN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C)N(C)C	217941756	IHXCVSSIFXQSPM-ABFRBSLYSA-N	283.504	2.671	70	20	CFID	
CSc1ccc(C)c(C(=O)N[C@@H]2CCC[C@H](N)C2)c1	160881474	LYBZZCHLAQJZQW-NWDGAFQWSA-N	278.421	2.717	70	20	CFID	
CC1(O)CCN(Cc2ncc(-c3ccccc3)o2)CC1	161214571	SEGVSGDOSJOXSK-UHFFFAOYSA-N	272.348	2.688	70	20	CFID	
Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc(C)c1F	160489584	FOHFQIGZLAXCSU-TXEJJXNPSA-N	265.328	2.692	70	20	CFID	
COCCC1(CNC(=O)N(C2CCCC2)C2CC2)CC1	161024057	QZWYBLIGEZEZJO-UHFFFAOYSA-N	280.412	2.920	70	20	CFID	
CCn1cc([C@@H](C)NCCc2ccc3c(c2)OCO3)cn1	161110478	UJZYTEWQTULTEH-GFCCVEGCSA-N	287.363	2.525	70	20	CFID	
CN(C)[C@H]1CCC[C@@H](N[C@@H]2CC(C)(C)OC2(C)C)C1	161118061	QCJHHRNFJLNVEX-HZSPNIEDSA-N	268.445	2.795	70	20	CFID	
Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	161406845	UZRBWCNFZGRNCR-MRXNPFEDSA-N	296.418	2.912	70	20	CFID	
C[C@@H](CS(=O)(=O)NCC1(C2CC2)CC1)c1ccccc1	160110330	ULVPTCSPNZKPOP-ZDUSSCGKSA-N	293.432	2.900	70	20	CFID	
O=C(COCC(F)(F)F)N[C@@H]1CCCc2sccc21	160113148	FPNYXGBVJKQEPM-SECBINFHSA-N	293.310	2.821	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCc1cccc(F)c1F	160556137	ICTYKWFNRPHADD-UHFFFAOYSA-N	292.329	2.895	70	20	CFID	
CCCCNC(=O)C(=O)Nc1cccnc1-c1ccccc1	159944882	QDOHSEXDJOZDGM-UHFFFAOYSA-N	297.358	2.603	70	20	CFID	
CC(C)Cc1ccc(CCCC(=O)NC[C@@H](C)CO)cc1	159566855	ZNJZVWBLVQQALH-OAHLLOKOSA-N	291.435	2.952	70	20	CFID	
CC(C)[C@@H](C(=O)N1CCNCC1)c1cccc(Cl)c1	159393999	ZGMHOTXMXNKUGK-CQSZACIVSA-N	280.799	2.511	70	20	CFID	
CCSCC[C@H](C)NC(=O)NC1C[C@@H](C)O[C@H](C)C1	159592494	YLTKBSGCDZTXOK-QJPTWQEYSA-N	288.457	2.773	70	20	CFID	
CC1(CNc2ncnc3c2CCCC3)CCOCC1	217813331	MLYCMKKAJXDZTG-UHFFFAOYSA-N	261.369	2.584	70	20	CFID	
C[C@@H](N[C@H](C)c1c(F)cccc1F)C(=O)NC(C)(C)C	159726248	AHTJYKDTLRMMKP-NXEZZACHSA-N	284.350	2.919	70	20	CFID	
OC1(CNCc2ccc(F)c(C(F)(F)F)c2)CCC1	160148115	MQQFYBYQXPCHOV-UHFFFAOYSA-N	277.261	2.849	70	20	CFID	
CO[C@@]1(CN[C@H](c2ccccc2)C(F)(F)F)CCOC1	160280337	MFXUHJJZNVFKJW-CHWSQXEVSA-N	289.297	2.685	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1	160424443	UFIHYLQXGJFLDH-KGLIPLIRSA-N	266.429	2.837	70	20	CFID	
CCN(CCCO)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	160503438	WXGVJMYIWIBVLX-RBSFLKMASA-N	267.413	2.824	70	20	CFID	
CCSCCN1CCO[C@@H](c2ccccc2F)C1	160367641	FBVQAJMOADPIIN-CQSZACIVSA-N	269.385	2.952	70	20	CFID	
CC1(C)CN(Cc2csc(C3CC3)n2)CCO1	161402870	FLEAQGRQLCDDMU-UHFFFAOYSA-N	252.383	2.631	70	20	CFID	
C[C@@H]1CC[C@H](CCC(=O)NCC2(C3CC3)CC2)O1	160018648	GTRSOKNCBUWMQY-DGCLKSJQSA-N	251.370	2.641	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NC1CCN(C2CCCC2)CC1	160477413	WQFFVTFWECRWJF-IIDMSEBBSA-N	293.499	2.712	70	20	CFID	
CC(C)n1ncc(C(=O)N2C[C@H]3CC[C@H]2C3)c1C1CC1	160694625	UUUVHKVZTHTXOY-AAEUAGOBSA-N	273.380	2.966	70	20	CFID	
CC[C@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160845272	SJHYNHLCOSOGAP-NSHDSACASA-N	289.379	2.906	70	20	CFID	
CC(C)(C)Cc1cc(NC(=O)[C@@H]2CCCCO2)[nH]n1	159712458	CPRPOQLVXJZXTN-NSHDSACASA-N	265.357	2.506	70	20	CFID	
COC[C@@H](NC[C@H](C)N1CCc2ccccc21)C(C)C	159931726	WVFFZWWFFHBMQC-GOEBONIOSA-N	276.424	2.698	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@H]2CCC[C@H]21	159544547	CDHBWPMRHIBCTH-DGCLKSJQSA-N	279.409	2.660	70	20	CFID	
Cc1ccc(O)c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1	159548009	LBALAAVYWRIHLO-HYVNUMGLSA-N	279.339	2.769	70	20	CFID	
C[C@H](Cc1ccccc1F)NCCNC(=O)OC(C)(C)C	218126782	BQWZKMZKFWTALZ-GFCCVEGCSA-N	296.386	2.871	70	20	CFID	
NCc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1	159580739	WKPGSIZDNSBXED-UHFFFAOYSA-N	292.741	2.868	70	20	CFID	
C[C@@H](COC1CCCCCC1)CS(=O)(=O)Cl	112159875	REXZDGNJSXEWNS-JTQLQIEISA-N	268.806	2.931	70	20	CFID	
CN(Cc1cccc(Cl)c1)Cc1csnn1	161134029	YFTAXMBXACEPHL-UHFFFAOYSA-N	253.758	2.824	70	20	CFID	
CCN1CCC[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1	161082073	XWZBXVBWGBMMOV-LBPRGKRZSA-N	295.452	2.728	70	20	CFID	
COC[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	161149547	GIHYPISAXFJKKU-BDJLRTHQSA-N	277.364	2.533	70	20	CFID	
COc1cc(CCC(=O)N2CCOC[C@@H]2C)ccc1Cl	161231080	YPZOEHCKNPBVMH-NSHDSACASA-N	297.782	2.529	70	20	CFID	
CCN(C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C(C)C	160090266	AQPWCJTWJBVTPC-UHFFFAOYSA-N	291.395	2.712	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H]2CCC[C@H]21	160122985	MCUNERLYXNBRRS-ZIAGYGMSSA-N	296.411	2.692	70	20	CFID	
Cc1cc(C(=O)NCCc2cccc(O)c2)c(C)o1	160170006	OYEXWPWBAPYKAL-UHFFFAOYSA-N	259.305	2.575	70	20	CFID	
CC1(C)CCCN1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160269286	IIVQJRWNWMERLU-QWHCGFSZSA-N	266.385	2.528	70	20	CFID	
CNC(=O)c1ccc(NC(=O)CC(F)(F)F)c(Cl)c1	160362826	GORZKGPOQDCZCX-UHFFFAOYSA-N	294.660	2.591	70	20	CFID	
CC1(C)C[C@@H](NCc2c[nH]nc2-c2cccnc2)CCO1	160511600	RIMAIMYBPBHMKQ-AWEZNQCLSA-N	286.379	2.519	70	20	CFID	
CC[C@H](NC(=O)[C@H]1CCCS1)c1c(C)noc1C	160517275	RNBQFPCOLCKOHU-WDEREUQCSA-N	268.382	2.754	70	20	CFID	
Cc1c(CN[C@@H]2CCCOc3ccc(F)cc32)cnn1C	160790148	TUBDFZHOJBINSN-OAHLLOKOSA-N	289.354	2.871	70	20	CFID	
Cc1noc(C)c1C(=O)NCCCSCC(C)C	160865047	UXDABYUKQNHMKV-UHFFFAOYSA-N	270.398	2.801	70	20	CFID	
COc1ccccc1S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]21	159811710	KJPARXNLENBVFT-STQMWFEESA-N	295.404	2.648	70	20	CFID	
CCOCCC1(CNC(=O)c2ccnc(F)c2)CCC1	159817789	ZCNLNPMAMCLRIP-UHFFFAOYSA-N	280.343	2.547	70	20	CFID	
COc1ccc(NC(=O)C[C@@H](C)SC)cc1F	159955162	AHCBTTSWAFLKAE-MRVPVSSYSA-N	257.330	2.914	70	20	CFID	
CCN(C[C@@H]1CCCO1)C(=O)COC1CCC(C)CC1	218553877	YXCBOHDOQJUSCG-NRXISQOPSA-N	283.412	2.609	70	20	CFID	
Cc1cccc(C)c1NC(=O)N[C@H]1CC[C@H](O)CC1	160035685	UJDSXXWVBJVEAE-BETUJISGSA-N	262.353	2.728	70	20	CFID	
CC1(C)CCCC[C@H]1NC(=O)NCc1ncccc1F	160264585	ODIIYYHTWAOSAN-CYBMUJFWSA-N	279.359	2.989	70	20	CFID	
CC[C@H](NC(=O)Nc1ccccc1N(C)C)[C@H]1CCCO1	160402106	HWOBZTMVQNZYQO-SWLSCSKDSA-N	291.395	2.832	70	20	CFID	
Cc1ncsc1CNC(=O)C[C@@H](C)c1ccncc1	160447203	LCUJZGJFCAJNRU-SNVBAGLBSA-N	275.377	2.657	70	20	CFID	
COc1ccc([C@H](C)CCNC(=O)[C@@H](N)C(C)(C)C)cc1	160553368	YUFWSBAHACCTPM-IUODEOHRSA-N	292.423	2.678	70	20	CFID	
COCC1CCN(C(=O)Nc2ccnc(C)c2Cl)CC1	159622768	JQUIQTQIXYERJF-UHFFFAOYSA-N	297.786	2.934	70	20	CFID	
CN(CCOC1CCCCCC1)C[C@H]1CCC[C@@H]1O	159645421	CNNICMNNKHDHOL-ZBFHGGJFSA-N	269.429	2.819	70	20	CFID	
CC(=O)N1CCC(CN[C@@H](C)c2ccccc2C)CC1	159458604	IVPFFEXGOSIBHK-AWEZNQCLSA-N	274.408	2.904	70	20	CFID	
Cc1noc(C)c1CCS(=O)(=O)Cc1ccccc1F	159567574	YZDRGDDGQPUJQD-UHFFFAOYSA-N	297.351	2.588	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@@H](C)c2ccsc2)C[C@H](C)O1	159784018	RVHKEFLVJFQJIK-GMXVVIOVSA-N	267.394	2.878	70	20	CFID	
CCNc1nc(C(=O)N2[C@@H](C)CC[C@@H]2C)cs1	160406620	UPLONRUQIGUCOM-IUCAKERBSA-N	253.371	2.588	70	20	CFID	
Cc1ccc(OCCCS(=O)(=O)Cl)c(C)c1	100495551	DBCMMYDBWWBAPN-UHFFFAOYSA-N	262.758	2.641	70	20	CFID	
COC(=O)c1csc(NC(=O)N2[C@H](C)CC[C@H]2C)c1	161033915	LZQUOWMIJDTWJG-RKDXNWHRSA-N	282.365	2.939	70	20	CFID	
CC(C)n1cccc1C(=O)NC[C@H](c1ccco1)N(C)C	161052279	SFRAVEGXZFEISP-CQSZACIVSA-N	289.379	2.695	70	20	CFID	
CCCOc1cccc(CC(=O)N2CCO[C@H](CC)C2)c1	161227628	UDDUZYZMMMCNCW-OAHLLOKOSA-N	291.391	2.655	70	20	CFID	
Cc1cnn(CCC(=O)N[C@@H]2CCCc3sccc32)c1	160255069	RMBCGWBPPXNPMY-CYBMUJFWSA-N	289.404	2.837	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)C3CCCC3)[nH]2)o1	160344963	YYHIRPPBRRLIGB-UHFFFAOYSA-N	260.297	2.502	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@H](C)Cc1cccc(F)c1	160691815	XVPGHLQEOLHPLO-DOMZBBRYSA-N	281.371	2.528	70	20	CFID	
CCC(CC)c1cc(C(=O)N2CCSCC2)on1	160814555	IXXJPRRAQINQNX-UHFFFAOYSA-N	268.382	2.767	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@H]1C1CCC1	159449733	SMWPGHAYBKHOJX-ZDUSSCGKSA-N	279.409	2.660	70	20	CFID	
Cc1ccc(-c2nnc([C@@H](C)N(C)C[C@@H](C)O)o2)cc1C	159540963	PFHSBWNTYXITJD-CHWSQXEVSA-N	289.379	2.727	70	20	CFID	
NC1(CNC(=O)c2nccc3ccccc23)CCCCC1	159561259	CGANNUNDRHTAQZ-UHFFFAOYSA-N	283.375	2.626	70	20	CFID	
CC[C@H](COC)NCc1occc1Br	217824677	PAYULUCIVYHFAV-MRVPVSSYSA-N	262.147	2.557	70	20	CFID	
O=C(CCN1CC[C@@H]2CCCC[C@@H]21)N1CCCCC1	159688988	ZGUOQAICTMARLH-GJZGRUSLSA-N	264.413	2.654	70	20	CFID	
Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185110682	NGTXBUUYCZLGMK-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CCC[C@@](C)(NC(=O)c1ccc(Cl)nc1C)C(=O)OC	160482213	QUYWUGIUWOAZPO-CQSZACIVSA-N	298.770	2.505	70	20	CFID	
Cc1cc(C)n(Cc2noc(C3CCCCC3)n2)n1	160864855	RATKQEOMAZQQEM-UHFFFAOYSA-N	260.341	2.979	70	20	CFID	
COCCC1(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)CC1	161130766	SYOVZCKIXDROAO-AWEZNQCLSA-N	291.395	2.678	70	20	CFID	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccnn1C(C)C)CO2	161151290	XRZSFUHEJHEPAN-CYBMUJFWSA-N	285.347	2.636	70	20	CFID	
Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3C)c1F	161451999	YBYHBAMQWZFTIS-ZDUSSCGKSA-N	287.338	2.675	70	20	CFID	
CS[C@@H](C)CC(=O)N(C)[C@H](C)c1cccnc1	161488919	KLMBDKLZQLQINW-WDEREUQCSA-N	252.383	2.743	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1SCC(N)=O	160134427	DCLREUNLAFYDBA-MEBBXXQBSA-N	292.404	2.639	70	20	CFID	
CC[C@H](CN[C@@H]1CCN(C)C[C@@H]1C)Oc1ccccc1F	160316495	JEUCTSQHQOCOCB-SQWLQELKSA-N	294.414	2.913	70	20	CFID	
O=C(NC1(CO)CC1)c1ccc(OC2CCC2)cc1Cl	160549518	GCFLMXHZRUXSCV-UHFFFAOYSA-N	295.766	2.526	70	20	CFID	
CC[C@H](NC(=O)Nc1ccccc1COC)[C@@H]1CCCO1	160826434	VRDZXLNNCQFJAQ-ZFWWWQNUSA-N	292.379	2.912	70	20	CFID	
CC(C)(C)O[C@H](C(=O)N[C@H]1CCC[C@@H]1O)c1ccccc1	160826842	NIVYUNLEHUAANB-KKUMJFAQSA-N	291.391	2.572	70	20	CFID	
Cc1cc(C)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)[nH]1	159634690	DHWUCGVHFPDCPU-INIZCTEOSA-N	299.418	2.534	70	20	CFID	
C[C@H](CC1CC1)NC(=O)N1CCC[C@@H](N2CCCC2)CC1	159844118	YTGUDDYNTSIBKG-GDBMZVCRSA-N	293.455	2.835	70	20	CFID	
CSc1ccsc1C(=O)Nc1c[nH]c(=O)c(C)c1	159465370	JBPBUPSXVPLNSG-UHFFFAOYSA-N	280.374	2.719	70	20	CFID	
CCCCS(=O)(=O)NC[C@H](C)c1ccc(C)cc1	159703058	RIHQVUFAMCYYIW-ZDUSSCGKSA-N	269.410	2.818	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(CCCCCN)n1	159944206	HNFYGLHTVKETOO-HNNXBMFYSA-N	289.379	2.867	70	20	CFID	
COC(=O)c1ccc(N[C@H]2CC[C@H](SC)C2)nc1C	218045075	YKBWHTQLSPCLDN-QWRGUYRKSA-N	280.393	2.873	70	20	CFID	
Cc1nc(CCNCc2nc3ccccc3n2C)cs1	218098647	BIAMSQPAFVZMCB-UHFFFAOYSA-N	286.404	2.671	70	20	CFID	
CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1c(F)cccc1F	159726679	FDVRCHFKPCRMTN-GHMZBOCLSA-N	284.350	2.776	70	20	CFID	
CO[C@@]1(CNC2CCC(C(F)(F)F)CC2)CCOC1	160124467	JZXZYCPLMFHACF-HTAVTVPLSA-N	281.318	2.503	70	20	CFID	
CNC[C@H]1CCCN1C(=O)CSc1ccccc1Cl	161267136	BJHKPAQLQPHUHN-LLVKDONJSA-N	298.839	2.643	70	20	CFID	
CC[C@H](Cc1ccc(Cl)cc1Cl)NCCN	218291254	JKOBLQCUFCOUKO-LLVKDONJSA-N	261.196	2.863	70	20	CFID	
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	185112254	PLEDFEWBTDPPKI-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
O=C(Oc1cccc(F)c1)c1ccc(S(=O)(=O)F)cc1	865206108	SQZVUVNZHIBYGF-UHFFFAOYSA-N	298.266	2.703	70	20	CFID	
CCN(CC1CC1)C(=O)Nc1cc(C(=O)OC)cs1	161071900	WCGOGTQTLSKECX-UHFFFAOYSA-N	282.365	2.799	70	20	CFID	
CC[C@H](NC(=O)[C@H]1CCCNC1)c1ccc(F)cc1F	161209582	XAOXASBLRAAMDW-HZMBPMFUSA-N	282.334	2.532	70	20	CFID	
C[C@H]1CCN(C(=O)NCc2cccc(N(C)C)c2)C[C@H]1C	161380745	MNJXHPPAIOIAIK-UONOGXRCSA-N	289.423	2.940	70	20	CFID	
COC(=O)[C@H](NC(=O)CCCc1sccc1C)C(C)C	160578018	GMAYPBHOCWWOHJ-CQSZACIVSA-N	297.420	2.693	70	20	CFID	
CC(C)CSCCCNC(=O)[C@@H]1CC12CCOCC2	160755303	LLFVRPZIERAUEM-ZDUSSCGKSA-N	285.453	2.699	70	20	CFID	
Cc1cc(NC(=O)C[C@H]2CCCN2)ccc1OC(C)C	160905610	DPAIGGYTPSRZSC-CYBMUJFWSA-N	276.380	2.863	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCOc1ccc(F)cc1	160962386	HOQPANVQRKVCSV-UHFFFAOYSA-N	290.338	2.592	70	20	CFID	
CSC[C@@H](C)C(=O)NCCc1cc2ccccc2[nH]1	159604183	QLPCQIKOHOUFDG-LLVKDONJSA-N	276.405	2.826	70	20	CFID	
CCCCCN(CCO)c1nc(C(C)(C)C)ns1	159808481	HGHYIDAILYKISC-UHFFFAOYSA-N	271.430	2.825	70	20	CFID	
Cc1cccc(C(C)(C)NC(=O)c2ccc(CN)o2)c1	159645064	AMAYFPMIRNPOOL-UHFFFAOYSA-N	272.348	2.712	70	20	CFID	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1cc(C)n(C)n1	159671605	FGVDVJAGKAIUEL-LLVKDONJSA-N	290.342	2.615	70	20	CFID	
CC(C)c1ccc(C(=O)NCC(C)(C)C[C@@H](C)O)cn1	159691661	GSCRXGZUEKVLAH-GFCCVEGCSA-N	278.396	2.732	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)Nc2cccc(NC(N)=O)c2)C1	159502366	WTNHBKNWQZICQL-MNOVXSKESA-N	275.352	2.942	70	20	CFID	
Fc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159598753	RZNLICIQXPIXKV-KFWWJZLASA-N	261.340	2.873	70	20	CFID	
O=C(C1CCNCC1)N1CCCC2(CCCCC2)C1	159858557	UTKSVTDRVSGPPB-UHFFFAOYSA-N	264.413	2.559	70	20	CFID	
O=C(NC[C@H]1CCCN1c1ccccc1)C1CCCC1	217836137	MLNMQCVGYGJVIT-MRXNPFEDSA-N	272.392	2.962	70	20	CFID	
C=C[C@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460095396	UQAHUTPOCFVHCU-CYBMUJFWSA-N	285.340	2.886	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)Nc1nc(C)cs1	161034654	VMPHZLUCDXSBHN-UHFFFAOYSA-N	284.772	2.653	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1	161129394	BLUWUJLYKSFTQZ-IAGOWNOFSA-N	282.387	2.768	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@@H](N)Cc2ccccc2)cc1	161168711	WGDSCPBOEDAWAX-QAPCUYQASA-N	296.414	2.785	70	20	CFID	
Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2F)c1F	161461617	LTDQCDBPLNMMTG-UHFFFAOYSA-N	290.269	2.624	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1cc(C)sc1C)CC2	160332726	FVRANQVEUGJKTC-ZWNOBZJWSA-N	290.436	2.930	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@@H]1CCOC1	160351240	HMWUXOIIDRTXNY-WDEREUQCSA-N	267.756	2.803	70	20	CFID	
CCc1nc(CN[C@@H](CC)c2ccc(F)cc2F)n[nH]1	160451773	CEXVSOVNKGDWJF-LBPRGKRZSA-N	280.322	2.886	70	20	CFID	
CC[C@@H](C)OCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21	160473858	NAJQYMDJHHOMPI-CHWSQXEVSA-N	277.364	2.924	70	20	CFID	
O=C(NCC1(Cc2ccccc2)CC1)N1CCSCC1	160734345	BHRCYQHQYJXCSX-UHFFFAOYSA-N	290.432	2.768	70	20	CFID	
CS[C@@H](C)CNC(=O)NC[C@H](c1cccnc1)C(C)C	159513742	CUWPORUETGRRQC-JSGCOSHPSA-N	295.452	2.872	70	20	CFID	
c1cc(CNCCc2ccncc2)c2[nH]ccc2c1	217861622	CUIWOEQTNYFPDC-UHFFFAOYSA-N	251.333	2.895	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1CO)c1csc2c1CCCC2	218017165	ZVODPMKBDFHCDT-GWCFXTLKSA-N	279.405	2.518	70	20	CFID	
COc1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1F	160081457	LCVYXHJBDWXJDB-PWSUYJOCSA-N	264.344	2.871	70	20	CFID	
CCSCC[C@H](C)NC[C@H](O)COc1cccc(C)c1	160139859	QRBJPPJTHHBHJW-GJZGRUSLSA-N	297.464	2.856	70	20	CFID	
CCSCC[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21	160208702	WDXYFKKIUWLOSN-SWLSCSKDSA-N	292.448	2.521	70	20	CFID	
O=C(Cc1c(F)cccc1Cl)NCC1(CO)CCCC1	160284108	XHDVGLQHKWWTBA-UHFFFAOYSA-N	299.773	2.691	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)CCCc1ccccc1	160677919	ILWPQOQJISHBKR-OAHLLOKOSA-N	263.381	2.533	70	20	CFID	
Cc1ccc(C(=O)CCN2CCOC[C@H]2C2CC2)cc1	161272217	LIFZPJSPXHFDHA-INIZCTEOSA-N	273.376	2.679	70	20	CFID	
COc1ccc(C(=O)NC[C@H](C)C2CC2)c(F)c1	218763324	SPFYDACBQQKMKP-VIFPVBQESA-N	251.301	2.610	70	20	CFID	
O=S(=O)(Cl)c1cccc(CC(F)(F)F)c1	91415374	IDTJDIUDPZUOGO-UHFFFAOYSA-N	258.648	2.719	70	20	CFID	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCCNC2)C1	161044533	SBNBYAHSAZVPSV-ZENOOKHLSA-N	290.382	2.735	70	20	CFID	
CC(C)Oc1ccc(NC(=O)N[C@]2(C)CCOC2)cc1	161139546	WSEQXZNUIZPILO-OAHLLOKOSA-N	278.352	2.774	70	20	CFID	
Cc1noc(C)c1CNC(=O)CCc1ccc(F)cc1F	161210164	YIVQWXGHNGOOSB-UHFFFAOYSA-N	294.301	2.819	70	20	CFID	
COCCC1(C(=O)NCCCOc2ccc(C)cc2)CC1	161287609	VNZFUEQBQFUREL-UHFFFAOYSA-N	291.391	2.697	70	20	CFID	
C/C(=C\c1ccc(Cl)cc1)CNC[C@@H](C)CO	160120348	SQHBZSUTCKOUPO-YTRUQHMWSA-N	253.773	2.961	70	20	CFID	
CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	160479797	OIXIFQIGPQGSHS-UHFFFAOYSA-N	286.297	2.764	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)Cc2nccs2)o1	160670198	XSYMACNACAXVLV-VOTSOKGWSA-N	276.361	2.970	70	20	CFID	
C[C@H](c1cc2ccccc2o1)N(C)Cc1nncn1C	160751832	CHQARLBEBYVAIR-LLVKDONJSA-N	270.336	2.754	70	20	CFID	
CCC(=O)c1cccc(NC(=O)c2cc(N(C)C)ccn2)c1	160755208	XKZNWYSXGKFQMZ-UHFFFAOYSA-N	297.358	2.993	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H]1C	160935539	KYMRRDLHSBEVTH-NWDGAFQWSA-N	299.378	2.744	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc[nH]c1	160995292	MPPGPPJFIPCUAZ-CYBMUJFWSA-N	262.353	2.626	70	20	CFID	
C[C@@H](O)C[C@@H](CNC(=O)c1ccoc1)c1ccccc1	159614692	KYSFCIAIVMUSBN-DOMZBBRYSA-N	273.332	2.564	70	20	CFID	
Cc1cncc(CNC(=O)c2cnn(C(C)C)c2C2CC2)c1	159471002	PJVSFAGZGOIIBN-UHFFFAOYSA-N	298.390	2.975	70	20	CFID	
CCC1(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)CCC1	159704788	VIOSQOGYEFLVJV-VXGBXAGGSA-N	268.401	2.822	70	20	CFID	
CCc1nc(CSCc2ccc(C(=O)OC)s2)no1	159745844	NCCJDKVPNFZAGW-UHFFFAOYSA-N	298.389	2.914	70	20	CFID	
O=C(Cc1cccc(F)c1)N[C@H]1CCOC2(CCCC2)C1	159394572	RGUMQHRIDHUCMR-HNNXBMFYSA-N	291.366	2.976	70	20	CFID	
O[C@@H](CNc1ccc(C(F)(F)F)nn1)c1ccsc1	218031770	KEOAMSJTLCUGGL-QMMMGPOBSA-N	289.282	2.702	70	20	CFID	
Cc1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)c(C)c1	218757238	JOUFSIVKBAMYQT-KBPBESRZSA-N	277.389	2.785	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCNC1	161053089	UKBGTONPXNRLFG-OCCSQVGLSA-N	294.826	2.729	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(C(C)C)CC1	161111090	MVDISTYJVZIEDS-KGLIPLIRSA-N	292.448	2.713	70	20	CFID	
CCC[C@H](CC)NS(=O)(=O)Cc1c(F)cccc1F	161468614	CZDPFDWMAJLZMX-JTQLQIEISA-N	291.363	2.963	70	20	CFID	
Cc1cc(C[C@@H](C)NC(=O)CC2CCCCC2)n[nH]1	161474361	OOBLBBGSLUYCSA-LLVKDONJSA-N	263.385	2.736	70	20	CFID	
C[C@H](c1ccncc1)N(C)C(=O)c1ccc(CN(C)C)cc1	161489447	UWBYGHBJCOMFFS-CQSZACIVSA-N	297.402	2.976	70	20	CFID	
FC(F)(F)c1nnc(NCCOC2CCCC2)s1	160165551	UXRGEBSPRBLNGI-UHFFFAOYSA-N	281.303	2.928	70	20	CFID	
CCc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1	160332143	ZIPOWMFLYRODMU-MLGOLLRUSA-N	284.407	2.815	70	20	CFID	
CCc1c(C(=O)Nc2ccncc2)cnn1CC(C)C	160349131	VLTAJKJIZGAGPE-UHFFFAOYSA-N	272.352	2.749	70	20	CFID	
COc1cc(CC(=O)N(C)Cc2cccn2C)ccc1C	160525660	XAQWCVRMXKOZTB-UHFFFAOYSA-N	286.375	2.543	70	20	CFID	
CCc1nc(CN[C@@H](C)[C@@H](C)c2ccccc2)n[nH]1	160563302	BICDJGAHAHBNRZ-NEPJUHHUSA-N	258.369	2.649	70	20	CFID	
COCCC1(CNC(=O)C[C@@H](C)c2c(C)noc2C)CC1	160760200	ABERRLZCNXRBHN-LLVKDONJSA-N	294.395	2.718	70	20	CFID	
Cc1cc(NC(=O)c2cc3c(s2)CCCC3)c[nH]c1=O	159713102	UHGBZXRJPAHPCW-UHFFFAOYSA-N	288.372	2.876	70	20	CFID	
O=C(CSC(F)(F)F)N[C@@H]1CCOC2(CCCC2)C1	159978672	QYSAVCJIXIITAO-SECBINFHSA-N	297.342	2.847	70	20	CFID	
CCN1CCC[C@@H](NCc2cccc3cc[nH]c23)C1	218127968	KNIMOQBQIASDNQ-OAHLLOKOSA-N	257.381	2.742	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@@H](C)c1ccccc1	160467969	RGVUMGWOVKDSFD-CYBMUJFWSA-N	262.397	2.814	70	20	CFID	
CC[C@@](C)(O)CN1CCC(OC2CCCC2)CC1	160770156	LBSFYCHQPJHRJV-OAHLLOKOSA-N	255.402	2.571	70	20	CFID	
C[C@H](CO)N(C)Cc1nc(-c2c(F)cccc2F)cs1	161017212	CVFSGJRBJZYZFM-SECBINFHSA-N	298.358	2.901	70	20	CFID	
CC[C@@H](Cc1ccccc1)NC(=O)C(CC)(CC)CN	161206611	QWDJPIXKJZCPOJ-HNNXBMFYSA-N	276.424	2.889	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)[C@H](C)SC)o1	161326699	RLLICCMCYYSNSR-CMPLNLGQSA-N	283.393	2.841	70	20	CFID	
C[C@H](Cc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1	160245272	YUEHCEXSBQVPBN-GFCCVEGCSA-N	294.826	2.729	70	20	CFID	
C[C@@H](CNC(=O)N1CCC2(CCC2)C1)N1CCC[C@@H](C)C1	160268995	XDAJIIAQWNZBCC-CABCVRRESA-N	293.455	2.692	70	20	CFID	
CCCC1(CNC(=O)c2ccc(-n3cnnc3)cc2)CC1	160509663	KWCUIACESDOIGP-UHFFFAOYSA-N	284.363	2.577	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@@H]1CCC[C@H](N(C)C)C1	160904721	QEFNDLCZDCSWRR-MJBXVCDLSA-N	269.433	2.593	70	20	CFID	
Cn1cnnc1CSCc1ccc(Cl)cc1	160947539	DHLPEAKMZQLETI-UHFFFAOYSA-N	253.758	2.902	70	20	CFID	
COc1cc(CCC(=O)N2CCCC2)ccc1Cl	160978788	QXGVEKSYHFJSBB-UHFFFAOYSA-N	267.756	2.904	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)Nc2ccc(NC(N)=O)cc2)C1	159482989	XEBRMLHLTWHTEW-MNOVXSKESA-N	275.352	2.942	70	20	CFID	
C[C@@H](CN[C@H](C)C1CCOCC1)N1CCc2ccccc21	159940139	QZYWARSMORDAOR-LSDHHAIUSA-N	288.435	2.842	70	20	CFID	
CC(C)[C@H](O)CNCc1ccc(F)c(C(F)(F)F)c1	160150241	OBRZMJJBROKKQH-GFCCVEGCSA-N	279.277	2.951	70	20	CFID	
O=C(N[C@H]1CCN(C2CCCC2)C1)N1CCCCCC1	160791314	RNSAYQFAAVDZJD-AWEZNQCLSA-N	279.428	2.589	70	20	CFID	
NC[C@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1	161199260	JYDCUVRHROGXAT-GFCCVEGCSA-N	292.379	2.994	70	20	CFID	
Cc1ccc2oc(C(=O)N3CCC(C)(O)CC3)cc2c1	161279754	FYXLFZJXFWLTBO-UHFFFAOYSA-N	273.332	2.728	70	20	CFID	
CC1=C(C(=O)NCc2ccc(F)c(C)c2)CCCO1	161209180	TWYBQHOMBJYTFF-UHFFFAOYSA-N	263.312	2.835	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1	161387718	IDHLUMNYHXAYCZ-CVEARBPZSA-N	286.419	2.885	70	20	CFID	
C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCCN2)C1	160101655	FMMPMSHSWKMAOQ-FUHWJXTLSA-N	286.419	2.709	70	20	CFID	
CCC[C@H]1CN(c2nc(C(C)(C)C)ns2)CCO1	160147093	VCOJGCBFFUWCBL-JTQLQIEISA-N	269.414	2.841	70	20	CFID	
CCN1CC[C@H](NCCCN2CCCC[C@@H]2C)[C@H](C)C1	160262577	KQWLBLNWSISETH-IKGGRYGDSA-N	281.488	2.571	70	20	CFID	
COc1ccc2nc(-c3ccc4c(c3)CCO4)[nH]c(=O)c2c1	160348851	FBGVNGNXKSXQIB-UHFFFAOYSA-N	294.310	2.534	70	20	CFID	
CC[C@@H](C)NCc1ccccc1CN1CCN(CC)CC1	160355450	OFFKJUQYHHYLKH-MRXNPFEDSA-N	289.467	2.712	70	20	CFID	
C[C@H](C(=O)N(C)Cc1cccn1C)c1ccsc1	160574070	QOTNXOYHBWQFRJ-NSHDSACASA-N	262.378	2.849	70	20	CFID	
CC(C)c1cc(=O)n(CCCOc2ccc(F)cc2)cn1	160644393	VCHSTZKQWNGQOI-UHFFFAOYSA-N	290.338	2.975	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl	160967246	YXYZHLTVYMZHSY-XPTSAGLGSA-N	280.755	2.814	70	20	CFID	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[C@@H]2CCCN2)C1	159435499	AGULVHPCAAFIAS-KCXAZCMYSA-N	290.382	2.877	70	20	CFID	
CCOCCC1(CNC(=O)CC[C@@H]2CCCO2)CCC1	159662387	QDIHSQPKGMTYBV-AWEZNQCLSA-N	283.412	2.659	70	20	CFID	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CCCCCCN	159665498	LUOFDYQWSZKDIL-HOCLYGCPSA-N	298.471	2.853	70	20	CFID	
CC(C)[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	159966478	SUNYYNJHLGCSFA-RDJZCZTQSA-N	290.407	2.940	70	20	CFID	
CCCCc1noc(CN(C)OCc2ccccc2)n1	159619641	AKNYIPIVKQDJOS-UHFFFAOYSA-N	275.352	2.976	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1336922415	TVIOJOPAWIDTQA-PWSUYJOCSA-N	299.367	2.653	70	20	CFID	
CCOC(=O)c1csc(N2C[C@H]3CCC[C@@H]3C2)n1	160577849	IDSUABIKBUZFSJ-NXEZZACHSA-N	266.366	2.556	70	20	CFID	
Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ncn1	161149964	ALHXIYMVPJHBOF-UHFFFAOYSA-N	261.712	2.999	70	20	CFID	
Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)C2(C)CC2)c1C	161185787	SONSCIQHDSOFRS-UHFFFAOYSA-N	295.404	2.525	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)CCCC1CCCC1	161190869	FRMCKMAJDXFNCR-CQSZACIVSA-N	255.402	2.870	70	20	CFID	
CC1(O)CCN(C(=O)Cc2ccc3ccccc3c2)CC1	161303708	POODZSIYNGAWOA-UHFFFAOYSA-N	283.371	2.756	70	20	CFID	
C[C@@H](C(=O)NCc1ccccn1)c1c(F)cccc1F	161336374	PHZXKGLBRBSCKS-SNVBAGLBSA-N	276.286	2.780	70	20	CFID	
COc1ccc([C@@H](C)N[C@@H](CCO)CSC)cc1F	160218505	LWYJXAHKJKWYOI-PWSUYJOCSA-N	287.400	2.599	70	20	CFID	
COc1cc(F)c(NC(=O)NC2CC=CC2)cc1OC	160328032	ZNJAYRZYLHLDCC-UHFFFAOYSA-N	280.299	2.683	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1CCCN1CC(C)C	160401400	OUHSNNQRNFVLOP-IIAWOOMASA-N	266.429	2.659	70	20	CFID	
C[C@@H](C(=O)N(C)C)c1ccc(Br)cc1	160636514	SYLRXEDCFMYMNU-MRVPVSSYSA-N	256.143	2.641	70	20	CFID	
CCCC1(CNC(=O)c2cnn(-c3ccccn3)c2C)CC1	160723633	OVHNHMYXGJPGBM-UHFFFAOYSA-N	298.390	2.886	70	20	CFID	
CCSCc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)cc1	160854386	NNCGBVWHQGCAIO-GJZGRUSLSA-N	292.448	2.939	70	20	CFID	
Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)cc(C)c1F	160955025	VMIKVUOXIGWYGF-UHFFFAOYSA-N	284.294	2.966	70	20	CFID	
C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@](C)(O)C1	159667548	BEHJKANPFNRWKS-YOEHRIQHSA-N	290.407	2.564	70	20	CFID	
C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)C1CC1	159702488	GPEFKBVLZXXUCL-KCJUWKMLSA-N	266.366	2.523	70	20	CFID	
Cc1ccc2cc(C(=O)Nc3c[nH]c(=O)c(C)c3)[nH]c2c1	159527831	PVNWFZBJDKYACV-UHFFFAOYSA-N	281.315	2.725	70	20	CFID	
Cc1noc(C)c1CCS(=O)(=O)Cc1ccc(F)cc1	159585778	LYYPUEPWUDFXHJ-UHFFFAOYSA-N	297.351	2.588	70	20	CFID	
O=C(CCSc1ccccc1)NCC1(CO)CCCC1	160300059	YELDRJICRKCAOD-UHFFFAOYSA-N	293.432	2.838	70	20	CFID	
NC1CCC(Nc2ccncc2Br)CC1	159802988	PRIMQJUOSCNMQM-UHFFFAOYSA-N	270.174	2.526	70	20	CFID	
COc1ccc(N(C)C(=O)c2cc(C)nn2C)cc1Cl	160212577	HWUMQWKBVKFXSG-UHFFFAOYSA-N	293.754	2.667	70	20	CFID	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC2(C)C)C1	161068906	BJRZKLVFFOENHO-MJBXVCDLSA-N	294.439	2.576	70	20	CFID	
C[C@]1(NC(=O)Nc2ccc(Cl)c(F)c2)CCOC1	161147446	CJAYYUXIGDUTRF-LBPRGKRZSA-N	272.707	2.780	70	20	CFID	
CCCCn1ncc(NS(=O)(=O)c2cccs2)c1C	160201277	VILFSCWJLSLRCZ-UHFFFAOYSA-N	299.421	2.854	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1cscn1	160266928	HWORMBNOBDPBTJ-UHFFFAOYSA-N	287.388	2.956	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)CCC1CCC1	160463245	ZUXUQLIJDZGIFK-OAHLLOKOSA-N	266.429	2.803	70	20	CFID	
CN(Cc1cccn1C)C(=O)C1(c2cccc(F)c2)CC1	160491627	KAXXWPZQWXVADD-UHFFFAOYSA-N	286.350	2.854	70	20	CFID	
CCCCNc1ccccc1C(=O)NC[C@@H]1CCCO1	160644536	YIHWAIZTWWWHJT-ZDUSSCGKSA-N	276.380	2.807	70	20	CFID	
CC(C)c1cc(=O)n(Cc2ccn(-c3ccccc3)n2)cn1	160662265	HFEMHMUEGQDXTE-UHFFFAOYSA-N	294.358	2.601	70	20	CFID	
CCC[C@H]1CN(C(=O)NCCCOC2CCCC2)CCO1	160796196	UGTJINQPONZHMT-HNNXBMFYSA-N	298.427	2.546	70	20	CFID	
C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccnc1	160814687	YFFOFZZJQDTDQQ-PWSUYJOCSA-N	291.376	2.777	70	20	CFID	
Cc1noc(C)c1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159443611	UVQUCGCJAMLDHM-GFCCVEGCSA-N	278.352	2.513	70	20	CFID	
c1ccc(CN2CCC(N[C@@H]3CCCSC3)CC2)nc1	159519969	SNFIFWGFJZDPOX-MRXNPFEDSA-N	291.464	2.531	70	20	CFID	
C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N(C)Cc1cccnc1	159923608	MFDHADUDJKXYMP-SOUVJXGZSA-N	289.423	2.691	70	20	CFID	
COc1cc(OC)c(NC(=O)[C@@H]2CCCCO2)cc1Cl	159742391	ILVYEXBOMVMNFZ-NSHDSACASA-N	299.754	2.865	70	20	CFID	
CCCn1c(C)nnc1CN(C)CCc1cccs1	159747628	KNZMLYGFSRDONC-UHFFFAOYSA-N	278.425	2.733	70	20	CFID	
Cc1noc(C)c1N(C)C(=O)c1ccc(N(C)C)cc1F	159361094	LHYGZJAKISLAMW-UHFFFAOYSA-N	291.326	2.773	70	20	CFID	
NC1(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCCCC1	159478546	WVDXMJIWDHFRPF-CABCVRRESA-N	278.440	2.981	70	20	CFID	
Cc1nn(C)cc1CNc1ccc(-n2ccnc2)cc1	160530827	NLHONOGFIHQXGO-UHFFFAOYSA-N	267.336	2.526	70	20	CFID	
Cc1c(N)cccc1C(=O)OC[C@@H]1CCC(C)(C)O1	160780035	AJZOTKHXHYAEQQ-NSHDSACASA-N	263.337	2.692	70	20	CFID	
CCN(C[C@H]1CCCO1)C(=O)COC1CCC(C)CC1	218553951	YXCBOHDOQJUSCG-YMAMQOFZSA-N	283.412	2.609	70	20	CFID	
CC(C)C[C@@H](N)C(=O)N1CCSC2(CCCCC2)C1	161449118	OFONGDOUVRTORY-CYBMUJFWSA-N	284.469	2.638	70	20	CFID	
CC[C@@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)c1ccc(F)cc1	161184823	XAELQXYSLCMYSC-SLEUVZQESA-N	279.355	2.955	70	20	CFID	
Cc1cc(NC[C@@H]2CCCN(CC(C)C)C2)ncn1	161312911	GARVMASXXOAAGK-AWEZNQCLSA-N	262.401	2.565	70	20	CFID	
CC(C)c1csc(CNC(=O)c2ccnn2C(C)C)n1	161446081	GIWOVZXDEPIPHF-UHFFFAOYSA-N	292.408	2.974	70	20	CFID	
C[C@H]1CN(C(=O)C(C)(C)F)C[C@@H](c2ccsc2)O1	160001559	QVTZMFGZDLDLNU-ONGXEEELSA-N	271.357	2.785	70	20	CFID	
Cc1occc1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1	160014716	KYVVEXXEZSUCHG-DOMZBBRYSA-N	287.359	2.873	70	20	CFID	
C[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)C1CC1	160229325	AKYPVLJFPZQWAW-DGCLKSJQSA-N	251.370	2.641	70	20	CFID	
CCc1nc(CN[C@H](C)c2cccc(OC(F)F)c2)n[nH]1	160309071	VKKQBRJKWGXQNI-SECBINFHSA-N	296.321	2.819	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	160465378	RRGDYULBRSQRFW-QWRGUYRKSA-N	296.361	2.702	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2cc(F)ccc2o1	160527360	VWHMHLLPFAOXRU-SECBINFHSA-N	293.294	2.643	70	20	CFID	
CC(C)C[C@@H](C)OCCC(=O)NCC1(N)CCCCC1	159728419	FQUWWSVVVZPHIN-CQSZACIVSA-N	284.444	2.606	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)NCC2CC2)cc1	159592999	IEFQJCNJYAJUPT-UHFFFAOYSA-N	290.363	2.714	70	20	CFID	
CCCCCC(=O)Nc1cccn(CC(F)(F)F)c1=O	159798356	XCKWODOXMDEAGS-UHFFFAOYSA-N	290.285	2.929	70	20	CFID	
CC(C)(N)CNC(=O)CCCc1ccc(Cl)cc1	159992193	YZRNRUYJIFBXEA-UHFFFAOYSA-N	268.788	2.516	70	20	CFID	
Cc1ccc(OCCCN(C)[C@H](CN)C2CC2)cc1C	160165930	UPSQBRKVRSRBGB-QGZVFWFLSA-N	276.424	2.741	70	20	CFID	
COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(C)c1Cl	160403908	ZBKJCPDIHVSZDE-GFCCVEGCSA-N	297.782	2.966	70	20	CFID	
C[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1F	160876116	UFZXVYMIYOHFIC-QMMMGPOBSA-N	256.708	2.889	70	20	CFID	
CC(C(=O)Nc1cccc(S(=O)(=O)F)c1)=C1CCC1	460090564	HVWZCGZXOHDSPZ-UHFFFAOYSA-N	283.324	2.784	70	20	CFID	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)Nc1ccc(S(=O)(=O)F)cc1	460088725	CZFXLRUXEKMDAU-NRUUGDAUSA-N	297.351	2.720	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCCC[C@@H]1C	1337811349	ZKBZLNXAAPAHMF-NSHDSACASA-N	299.367	2.668	70	20	CFID	
CCc1ccc(CC(=O)N(C)Cc2ccccn2)cc1	161108126	VRWKKZVNZIYXMR-UHFFFAOYSA-N	268.360	2.845	70	20	CFID	
CCOCCO[C@H]1CCN(C(=O)Nc2cscc2C)C1	161260353	MPYKGUANKAXROG-LBPRGKRZSA-N	298.408	2.716	70	20	CFID	
Cn1nccc1COc1nc(-c2ccccc2Cl)no1	161360018	LXJJXKZTQGGIOH-UHFFFAOYSA-N	290.710	2.703	70	20	CFID	
COc1ccc([C@@H](NC(=O)NC2CC2)C(F)(F)F)cc1	161498879	MRBTXINUVSMECT-LLVKDONJSA-N	288.269	2.760	70	20	CFID	
COc1cc(C)ccc1CNC(=O)NC[C@H](C)SC	160262634	DBLBCUUSGFFXHU-NSHDSACASA-N	282.409	2.554	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](Cc1ccccc1)C1CC1)CC2	160321396	PEOHRQBMPNMTSC-DLBZAZTESA-N	296.418	2.512	70	20	CFID	
Cc1ccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)cc1	160436354	WWCJXZXJDFUWMB-UHFFFAOYSA-N	296.330	2.863	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	160502919	FDBITHGEGZCQAD-CHWSQXEVSA-N	296.361	2.702	70	20	CFID	
COC(=O)c1cc(CN(C)Cc2ccccc2C)c[nH]1	160525287	CMBQUCYJOLGYDF-UHFFFAOYSA-N	272.348	2.742	70	20	CFID	
CC(C)Cn1ncc(C(=O)N(C)C2CC2)c1C(F)F	160545242	OTSHNYVOZDLUTH-UHFFFAOYSA-N	271.311	2.711	70	20	CFID	
CN(CCCc1nc(-c2ccccc2)no1)CC(F)F	160558286	SVVWJVUKUODSBF-UHFFFAOYSA-N	281.306	2.866	70	20	CFID	
COc1ncccc1CNC(=O)c1cc(F)c(C)cc1F	160997006	DKIKSYFWRISHBA-UHFFFAOYSA-N	292.285	2.607	70	20	CFID	
COc1cccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159617290	GEFCQYZJMLABQL-PMPSAXMXSA-N	273.376	2.742	70	20	CFID	
Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c(F)c1	159634093	DTFHMSNHPHUNML-LLVKDONJSA-N	290.342	2.615	70	20	CFID	
COc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1	159677674	PEBNFZUCOJQRPS-BBRMVZONSA-N	288.391	2.898	70	20	CFID	
Cc1cc(CNC(=O)C2CCC(C)(C)CC2)on1	159683372	XYLUKFGDMWSMJB-UHFFFAOYSA-N	250.342	2.816	70	20	CFID	
CC(C)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	159948342	WBIRLSUHELLBMQ-ZBFHGGJFSA-N	289.423	2.557	70	20	CFID	
CCC[C@H]1CN(C(=O)NCCCC(C)C)CCO1	159561038	JKIJKFNRXWRBJD-ZDUSSCGKSA-N	256.390	2.633	70	20	CFID	
Cc1cc(-c2noc([C@H](C)N(C)C[C@@H](C)O)n2)ccc1F	159564344	TWRFENHCTRKAJP-MNOVXSKESA-N	293.342	2.558	70	20	CFID	
CC(C)(COC1CCCCC1)CS(=O)(=O)Cl	114472572	XLQOUNLIHONQIR-UHFFFAOYSA-N	268.806	2.931	70	20	CFID	
CC(C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	187236592	COBWWXGICWIQGS-SECBINFHSA-N	273.329	2.575	70	20	CFID	
CCC(C)(C)N(C)C(=O)c1cccc(S(=O)(=O)F)c1	1340625835	ULRRGBLQCNYFGH-UHFFFAOYSA-N	287.356	2.605	70	20	CFID	
CC(C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)Cl)s1	100594508	KXJYCPFXJIVHEF-ZETCQYMHSA-N	295.813	2.509	70	20	CFID	
Cc1ncc([C@@H](C)NCCc2ccc3c(c2)OCO3)c(C)n1	161124121	RBPMUWCHBJBLBR-LLVKDONJSA-N	299.374	2.715	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@H]1[C@H]2Cc3ccccc3[C@@H]21	161507279	MVCKDLCULBISOM-BPUTZDHNSA-N	281.359	2.532	70	20	CFID	
CC(C)Oc1cncc(C(=O)N(C)C[C@H]2CCCCO2)c1	160374025	JFDDVXJMAAPSRP-CQSZACIVSA-N	292.379	2.510	70	20	CFID	
CC(C)=CC(=O)N[C@H]1CCOC2(CCCCC2)C1	160561884	OTSZYIOZLMYAQJ-ZDUSSCGKSA-N	251.370	2.951	70	20	CFID	
CCC(CC)(C(=O)N1CC[C@H](NC)C1)c1ccccc1	160588692	YDNTZLXMFZHZJT-HNNXBMFYSA-N	274.408	2.565	70	20	CFID	
CC[C@H](N[C@H]1CCCCNC1=O)c1ccc(F)cc1F	160998042	DSKIFRUUDRMCHI-KBPBESRZSA-N	282.334	2.674	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)CC2CCNCC2)cc1	159658937	OGLFHTYVGVNETA-AWEZNQCLSA-N	274.408	2.604	70	20	CFID	
CN(CC1CCOCC1)C(=O)N[C@@H]1CCCC1(C)C	159686092	HHEZTNNXLFLVHU-CYBMUJFWSA-N	268.401	2.633	70	20	CFID	
COC[C@@H](NC[C@H](C)N1CCc2sccc2C1)C1CC1	159885703	LJCXNIRWJPTGIQ-SWLSCSKDSA-N	294.464	2.509	70	20	CFID	
CCC(C)(CC)C(=O)N1CCS[C@@H]2COCC[C@@H]21	159490599	IOYORBIIXNKKEQ-NWDGAFQWSA-N	271.426	2.546	70	20	CFID	
COCC[C@@H](C)NC1CCN([C@@H](C)c2ccncc2)CC1	159902963	OSJISHVFXFYKFC-CABCVRRESA-N	291.439	2.622	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCCc3cc(N)ccc32)n1C	159368311	ZFZCZYJSUYFFCK-HNNXBMFYSA-N	283.375	2.723	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](C)OCC1CC1)c1c(C)noc1C	159969580	CQDYASVOQAJLCM-DGCLKSJQSA-N	280.368	2.674	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccccc2O)cc1F	159797381	MIIHLJQSQYPXEJ-UHFFFAOYSA-N	275.279	2.817	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(CNC(C)C)n1	159965007	KDTWDPXJFCFFFY-AWEZNQCLSA-N	275.352	2.694	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@@H]2C(C)(C)O)cc1	160920614	UXFWIJRTZOWTGH-MRXNPFEDSA-N	275.392	2.803	70	20	CFID	
CC1(C)CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1338390010	NJCXHCYYIWSNSU-GFCCVEGCSA-N	299.367	2.653	70	20	CFID	
C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1337667777	ZYVGAQOFMZDEAM-GWCFXTLKSA-N	299.367	2.653	70	20	CFID	
Cc1nc(COC(=O)CCOC(C)C)c(C)s1	159951651	GCHMEJHMOAHRDJ-UHFFFAOYSA-N	257.355	2.618	70	20	CFID	
CC(C)c1ccc(N(C)C(=O)C[C@@H]2CCCN2)cc1	161461059	RTKCJAKGLINVLA-AWEZNQCLSA-N	260.381	2.915	70	20	CFID	
CCCOc1ncccc1CNC(=O)C[C@H](C)SC	161166107	DTBOQQVIRFJFID-NSHDSACASA-N	282.409	2.628	70	20	CFID	
Cc1cc(NC(=O)N2CCC[C@@](C)(O)C2)ccc1F	161252796	JQFYEQRUCBIJGV-CQSZACIVSA-N	266.316	2.513	70	20	CFID	
COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)ncn2)cc1	161325867	VYTLNTGOTONMBR-INIZCTEOSA-N	297.358	2.771	70	20	CFID	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H](N)C(C)(C)C	161421366	POXOXIYPCFAEPZ-VHDGCEQUSA-N	274.408	2.764	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2C[C@@H]3CC[C@@H]2O3)cc1Cl	160247157	KMOGUDNTUQGRLK-GVXVVHGQSA-N	295.766	2.879	70	20	CFID	
COC[C@@H](NC[C@H](C1CCCCC1)N(C)C)C1CC1	160426382	GPHQPJHSMCMTJM-HZPDHXFCSA-N	268.445	2.512	70	20	CFID	
C[C@H](CC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)CC(C)(C)C	160564782	JELHZDFVOLYEAZ-MGPQQGTHSA-N	294.439	2.576	70	20	CFID	
CCOc1ccccc1CNC(=O)CO[C@H](C)CC	160568494	MDTJMEFPEQXMMJ-GFCCVEGCSA-N	265.353	2.517	70	20	CFID	
CCOCCC1(CNC(=O)c2ccnn2C(C)C)CCC1	160575138	SGSYJLYMCGOUNA-UHFFFAOYSA-N	293.411	2.791	70	20	CFID	
C[C@H](NC(=O)c1cnc2c(c1)ncn2C)C1CCCCC1	160596979	XBCODBPCPKSDPW-NSHDSACASA-N	286.379	2.667	70	20	CFID	
Cc1cccc([C@H](C)C(=O)NCCN2CCC(C)CC2)c1	159878790	WVHBBYKJPHXVCA-INIZCTEOSA-N	288.435	2.947	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1Cc2cc(F)ccc2O1	159709245	RGBROLLXQOZOAX-DGFSRKRXSA-N	277.339	2.824	70	20	CFID	
C[C@H](OC1CCCCCC1)C(=O)Nc1ncccc1O	159724987	LRLHFNZQDYUDRZ-NSHDSACASA-N	278.352	2.854	70	20	CFID	
CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCN(C(C)=O)C1	159546342	YMXUCQCZIFSUNI-JKSUJKDBSA-N	294.439	2.720	70	20	CFID	
CNC[C@@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1	218062940	LNYSGNNBQKPJDE-RYUDHWBXSA-N	268.351	2.957	70	20	CFID	
c1cc(CN[C@@H]2CCN3CCCC[C@@H]23)c2[nH]ccc2c1	218109281	MYOQIJPKIRCXTL-CVEARBPZSA-N	269.392	2.884	70	20	CFID	
CC[C@@H](C)NC(=O)N[C@H]1CCc2c(OC)cccc21	160278759	NJHOGBOTLNUTBW-MFKMUULPSA-N	262.353	2.780	70	20	CFID	
COc1cc(NC(=O)C[C@H](N)C(C)(C)C)ccc1F	160349495	WIWGUHZCRSWHAY-LBPRGKRZSA-N	268.332	2.536	70	20	CFID	
CC1(C)C[C@@H](Nc2ncnc3c2CCCC3)CCO1	160651522	UBVMOVIIHLQDMD-NSHDSACASA-N	261.369	2.725	70	20	CFID	
CCC(C)(C)NC(=O)[C@@H](C)n1cnc2ccccc21	161009739	XIOQRPXHYKKGGZ-LLVKDONJSA-N	259.353	2.902	70	20	CFID	
CCCCNC(=O)NCc1ccc(OCC)cc1	217300744	OURSHSYTYMYFIM-UHFFFAOYSA-N	250.342	2.685	70	20	CFID	
O=C(CCC1CCC1)Nc1ccc(S(=O)(=O)F)cc1	776363536	LBPJHQBRZRKYIJ-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl	161152259	QCLUMPYVQIRWJI-PRHODGIISA-N	272.751	2.784	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCCOc1ccc(F)cc1F	160078349	VEUBQSJRVYEBQD-JMSVASOKSA-N	298.377	2.662	70	20	CFID	
CC1(NC(=O)NCc2cccc3cccnc23)CCC1	160258227	HREDMAPKQSGWSO-UHFFFAOYSA-N	269.348	2.977	70	20	CFID	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1C=CCCC1	160269187	JXWYYZNUWFRROQ-MFKMUULPSA-N	277.368	2.803	70	20	CFID	
C[C@@H](NC[C@@H](C1CCCCC1)N(C)C)C1CCN(C)CC1	160422352	VDVFQNGOUAJVTJ-QAPCUYQASA-N	295.515	2.817	70	20	CFID	
CN[C@@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C1	160491389	BKWURVLOJCWUGW-MRXNPFEDSA-N	288.435	2.856	70	20	CFID	
COCCOc1cccc(CN[C@@H]2CCOC(C)(C)C2)c1	160512690	RCSJCTBLPNYWBX-OAHLLOKOSA-N	293.407	2.759	70	20	CFID	
CC[C@@H](NC(=O)[C@H](C)C1CC1)c1c(C)noc1C	160614736	GLEWRZPELKVBEJ-PRHODGIISA-N	250.342	2.905	70	20	CFID	
CS[C@@H](C)CC(=O)N1CCN(CCC(C)(C)C)CC1	160718405	XDHMKKXIZKPOFJ-ZDUSSCGKSA-N	286.485	2.708	70	20	CFID	
Cc1c(C(=O)Nc2cccc(F)n2)cnn1C(C)(C)C	160854288	FASXRKVJYIUXFI-UHFFFAOYSA-N	276.315	2.733	70	20	CFID	
CC[C@@H](C)OCC(=O)N(c1nc(C)cs1)C1CC1	159640650	WXJJBOPKEUSFSH-SNVBAGLBSA-N	268.382	2.762	70	20	CFID	
CCc1cc2c(N3CCOC[C@H]3C3CC3)ncnc2s1	159646466	XJQLJLMUVGOEIX-ZDUSSCGKSA-N	289.404	2.869	70	20	CFID	
COc1ccc(CCC(=O)NCC2(C3CC3)CC2)cc1	159841008	PZAXQPLCDMKMDE-UHFFFAOYSA-N	273.376	2.934	70	20	CFID	
CC(C)Oc1ncccc1NC(=O)[C@H](O)c1ccccc1	159846246	APQQRMMLQHFRIY-CQSZACIVSA-N	286.331	2.541	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)CCC)c1C	159867998	LVYZRIIZNWMSJA-UHFFFAOYSA-N	252.362	2.865	70	20	CFID	
COCCNC(=O)Cc1cc2c(ccc3ccccc32)o1	159906036	QPXHIRHZZAYQTR-UHFFFAOYSA-N	283.327	2.891	70	20	CFID	
CCCC1(CNC(=O)NCCc2cccnc2)CCC1	159925676	HQSGLKSIWTUQSA-UHFFFAOYSA-N	275.396	2.894	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CSc1nncn1C(C)C	159571853	LFXDCYMQLYKICA-RYUDHWBXSA-N	296.440	2.646	70	20	CFID	
Cc1ccc(N)c(C(=O)OC[C@H]2CCC(C)(C)O2)c1	160789059	RFPZDSVOAQOALT-LLVKDONJSA-N	263.337	2.692	70	20	CFID	
CC[C@@H]1CN(CCCN2CCCCC2)CCS1	161383618	WLMWMDALUUFOHL-CQSZACIVSA-N	256.459	2.690	70	20	CFID	
CSCCNC(=O)c1c(F)cccc1Br	160198061	VWOOYBHAGDMVPP-UHFFFAOYSA-N	292.173	2.681	70	20	CFID	
C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	864241748	JVUIXVIZVBLEQY-GFCCVEGCSA-N	297.351	2.526	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCNC(=O)C(C)(C)C	161035146	NOGOPEOUEAIOCU-KBPBESRZSA-N	296.455	2.966	70	20	CFID	
CC(=O)Nc1ccc(SCc2ccnn2C)cc1	161245430	ANUXIJKUIZBRQP-UHFFFAOYSA-N	261.350	2.671	70	20	CFID	
CC[C@@H](C(=O)N[C@@H](COC)C1CC1)c1ccc(F)cc1	161328200	GJQSMQMAGOUWCV-CABCVRRESA-N	279.355	2.861	70	20	CFID	
C[C@]1(C(=O)NCc2ccc3ccccc3c2)CCCNC1	161355496	DYPCHBAEFCXVAV-SFHVURJKSA-N	282.387	2.846	70	20	CFID	
CC(C)N(C(=O)Cn1nc(C2CC2)nc1C1CC1)C(C)C	161481973	PQAOUFCTBFGEER-UHFFFAOYSA-N	290.411	2.678	70	20	CFID	
CCc1noc(C)c1CSCC(=O)N(C)C(C)C	160006623	POTLYCVGVIKIAF-UHFFFAOYSA-N	270.398	2.645	70	20	CFID	
Clc1ccccc1CCSCCN1CCOCC1	160064423	OWDSILCVGHPPJT-UHFFFAOYSA-N	285.840	2.948	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc2ccccc2oc1=O	160152497	CMLYVTKDIFYHBV-UHFFFAOYSA-N	283.327	2.713	70	20	CFID	
Cc1cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)n(C)n1	160390533	IBZSMRZTBFEZOC-NSHDSACASA-N	299.252	2.584	70	20	CFID	
COc1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)ccc1Cl	160480359	OVGHNACPOFFEER-SNVBAGLBSA-N	297.782	2.988	70	20	CFID	
CC[C@@H](COC)NC(=O)N[C@H]1CC[C@H](C)C[C@@H]1C	159857205	URVNBDALMXAQTQ-CYDGBPFRSA-N	256.390	2.535	70	20	CFID	
C/C(=C\C(=O)N[C@H]1CCOC2(CCCC2)C1)C1CC1	159860510	QFZBKEIZEJAZEA-WONIAPNHSA-N	263.381	2.951	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N2CCO[C@H](C)[C@@H]2C)c1	159478102	DXKVWPCZBVUTEX-LSDHHAIUSA-N	275.392	2.872	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCN(C)C1	159908736	SRSXZNCRILLGQH-ZDUSSCGKSA-N	280.799	2.815	70	20	CFID	
COC[C@H](NC(=O)N1CCc2cccc(F)c2C1)C(C)C	159398067	VWPXHWMCUHXPHL-HNNXBMFYSA-N	294.370	2.564	70	20	CFID	
C[C@H](NCC(C)(C)N)C12CC3CC(CC(C3)C1)C2	217152044	AADLCFHBNMWDDW-IKMFHRHGSA-N	250.430	2.918	70	20	CFID	
COC(=O)c1ccc(CN2CC[C@@H]3CCCC[C@@H]32)o1	159646746	NCDRXZFIRSAMSD-AAEUAGOBSA-N	263.337	2.831	70	20	CFID	
Cc1cccc(CSCC(=O)N[C@H]2CCC[C@H](N)C2)c1	160931920	RXLILQDWEGFLBU-GJZGRUSLSA-N	292.448	2.614	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C(C1CC1)C1CC1	123126435	QGCWYZNQWFYFLX-UHFFFAOYSA-N	297.351	2.720	70	20	CFID	
Cc1cccn(Cc2noc(C3CCCCC3)n2)c1=O	160831577	GOIZTAKLVQMDCZ-UHFFFAOYSA-N	273.336	2.636	70	20	CFID	
O=C(CC[C@@H]1CCCO1)N1CCc2c(F)cccc2C1	161049390	ZKGWOYPRWAOZDT-ZDUSSCGKSA-N	277.339	2.670	70	20	CFID	
C[C@@H](NCCc1ccc2c(c1)OCO2)c1cncc(F)c1	161140519	CVCLURJXPADEJE-LLVKDONJSA-N	288.322	2.843	70	20	CFID	
CCCCCN(C(=O)c1ccc(=O)[nH]n1)[C@H](C)CCC	161302376	WJTJWMOSAMPHGT-GFCCVEGCSA-N	279.384	2.591	70	20	CFID	
CCCn1nc(C)c(C(=O)N[C@@H](C)c2cccnc2)c1C	161484552	NZPZZOHZMZSLKV-NSHDSACASA-N	286.379	2.796	70	20	CFID	
Cn1cc(CCC(=O)N[C@H]2CCCc3sccc32)cn1	160114315	LGYKEMKCOZHQEK-ZDUSSCGKSA-N	289.404	2.608	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NCCN2CCCCCC2)on1	160223808	ICSLJJAGHLQXJC-CYBMUJFWSA-N	293.411	2.794	70	20	CFID	
CCOc1ccc([C@@H](C)N[C@@H](CCO)CSC)cc1	160403831	GARFCEFOFIUSCH-OCCSQVGLSA-N	283.437	2.850	70	20	CFID	
O=C(CC[C@@H]1CCOC1)Nc1cccc(OCCF)c1	160580317	SDIAGRYSQLOIHE-GFCCVEGCSA-N	281.327	2.790	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)c1cccc(F)c1	160584187	GUPRMRNTNXOFBD-VXGBXAGGSA-N	295.354	2.777	70	20	CFID	
O=C(NCCCF)N1CCC(CCCN2CCCC2)CC1	160734389	PKUGECNLRMIVQX-UHFFFAOYSA-N	299.434	2.644	70	20	CFID	
COc1cccc([C@@H](C)CC(=O)N[C@H](CO)CC(C)C)c1	160851020	LRUIXTUZRWXPQA-ZFWWWQNUSA-N	293.407	2.712	70	20	CFID	
CC(C)C1(CNC(=O)NC2C[C@H](C)O[C@@H](C)C2)CC1	159706821	SNLLBNLDDSLTBJ-RYUDHWBXSA-N	268.401	2.678	70	20	CFID	
COC[C@H](NC[C@@H](C)N1CCc2ccccc21)C(C)C	159931612	WVFFZWWFFHBMQC-ZBFHGGJFSA-N	276.424	2.698	70	20	CFID	
CC[C@@H](CCO)NC(=O)CCCOc1ccc(C)cc1C	159363827	GEVDPGYNNOMHFV-HNNXBMFYSA-N	293.407	2.740	70	20	CFID	
CC[C@@H](CCO)CNC(=O)Nc1ccnc(C)c1Cl	159755320	ONVUFJFSVRUWBQ-JTQLQIEISA-N	285.775	2.574	70	20	CFID	
C[C@@H](NCC(C)(C)N)C12CC3CC(CC(C3)C1)C2	217152051	AADLCFHBNMWDDW-UWJCENJNSA-N	250.430	2.918	70	20	CFID	
COc1ccccc1[C@H](C)N[C@@H]1CCN2CCCC[C@@H]12	217661543	WMJRUGYBOMIRJU-IMJJTQAJSA-N	274.408	2.973	70	20	CFID	
N#CCCCCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	808733635	ZGKNIJJWKJCTOL-UHFFFAOYSA-N	298.339	2.757	70	20	CFID	
Cc1nccn1CCCN(C)CCc1ccc(F)cc1	161452223	GZXGBGFROHGYJI-UHFFFAOYSA-N	275.371	2.895	70	20	CFID	
C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1	161117435	CKVKMRBYHJSPGH-GFCCVEGCSA-N	299.378	2.746	70	20	CFID	
CCCN(CCO)Cc1cc(OC)c(OC)cc1SC	161197084	VWFJWKIYHRORPC-UHFFFAOYSA-N	299.436	2.630	70	20	CFID	
Cc1cc(C(=O)N2CCCN(C)CC2)c(Cl)cc1F	161269177	OEWYZPBKVDJARU-UHFFFAOYSA-N	284.762	2.565	70	20	CFID	
CCOC(=O)c1c(C)[nH]c(C(=O)N2[C@@H](C)CC[C@@H]2C)c1C	161406548	ZTPQLDBUEJRIQV-UWVGGRQHSA-N	292.379	2.821	70	20	CFID	
COc1ccnc(NC(=O)[C@](C)(OC)c2ccccc2)c1	161415634	MBRPTCNFGSYKES-MRXNPFEDSA-N	286.331	2.591	70	20	CFID	
C[C@@H](CC(=O)N1CCCCCC1)N[C@H](C)C1CC1	160135626	DGRXJEAXPVYJGZ-QWHCGFSZSA-N	252.402	2.556	70	20	CFID	
O=C(Nc1ccncc1)c1csc([C@H]2CCCO2)n1	160347800	CVKULOJSHDLQHG-LLVKDONJSA-N	275.333	2.642	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)C3CCCCC3)[nH]2)o1	160420183	AWJFWPDYDCMEMI-UHFFFAOYSA-N	274.324	2.892	70	20	CFID	
Cc1cscc1NC(=O)Nc1ccc(F)c(C(N)=O)c1	160570973	LOLQMTDMQSAGJP-UHFFFAOYSA-N	293.323	2.939	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@H](C)Cc1cccc(F)c1	160691912	XVPGHLQEOLHPLO-IUODEOHRSA-N	281.371	2.528	70	20	CFID	
CCC[C@](C)(O)C(=O)Nc1cnc(Cl)cc1C	159615545	FNAGGGXJPDKZTK-LBPRGKRZSA-N	256.733	2.533	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)c2ccc(CN)o2)cc1	159658648	HMALMTQAAKHSDU-LBPRGKRZSA-N	272.348	2.580	70	20	CFID	
CC(C)(C)CCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159724573	NYHIBMGNIUAHDN-KBPBESRZSA-N	266.429	2.803	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)Cc1cccc(C(=O)OC)c1	159782034	WMXCYDDGHDBMFV-NWDGAFQWSA-N	277.364	2.567	70	20	CFID	
Cc1ncc(CNC(=O)c2cnc(C(C)C)s2)s1	159983974	KZBNEDRAFFCWRF-UHFFFAOYSA-N	281.406	2.961	70	20	CFID	
CC[C@H](C)[C@H](C)NC[C@@H](O)COc1ccc(F)cc1	218774286	ZFHJRBAHTCAKKW-SGMGOOAPSA-N	269.360	2.590	70	20	CFID	
COc1cc(N[C@H](C)C2CCN(C)CC2)ccc1F	159960608	QMQHPCXTPRWZKH-LLVKDONJSA-N	266.360	2.977	70	20	CFID	
C[C@@]1(NC(=O)c2cccc(C(F)(F)F)c2F)CCOC1	160208986	BPNHGYORFJEMSV-GFCCVEGCSA-N	291.244	2.753	70	20	CFID	
COc1cc(NC(=O)c2ccccc2O)ccc1F	160407023	YUMOGJAUTHZDDF-UHFFFAOYSA-N	261.252	2.792	70	20	CFID	
CNc1ncccc1C(=O)Nc1ccc(F)c(OC)c1	160527708	MGUUVKFYSJYKOX-UHFFFAOYSA-N	275.283	2.523	70	20	CFID	
CC(C)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)CC(C)C	217799818	ZVTOVDSCEFLFNF-OKILXGFUSA-N	282.428	2.622	70	20	CFID	
C=CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460093382	OOERWTNMDYPYGZ-UHFFFAOYSA-N	285.340	2.886	70	20	CFID	
C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	864239664	OAPGEOLWIMJYDK-MNOVXSKESA-N	299.367	2.605	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161113784	JYPDKBZEPHERMJ-VJTDZRGJSA-N	278.396	2.526	70	20	CFID	
CC(=O)N1CCCc2cc(NC(=O)N3CCCC3)ccc21	160020623	VBNGAZBFOKDQIN-UHFFFAOYSA-N	287.363	2.613	70	20	CFID	
Cc1ccc(NC(=O)CCNC(C)C)cc1OC(F)F	160091908	XPHLEDGJPCZDLN-UHFFFAOYSA-N	286.322	2.923	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CC[C@H]1CCOC1	160114120	JHNIZVWFMWHDDC-WFASDCNBSA-N	289.375	2.615	70	20	CFID	
CC[C@@H](NC(=O)c1cccn1C)c1c(C)noc1C	160217650	UTUBSMZLJYEBEG-LLVKDONJSA-N	261.325	2.511	70	20	CFID	
C[C@H](c1cnn(C)c1)N(C)c1nc(C(C)(C)C)ns1	160288275	YNQCBNOKXRIKAU-SECBINFHSA-N	279.413	2.767	70	20	CFID	
O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCCO1	160429638	AQNFKLAXNGVHDS-GJZGRUSLSA-N	259.349	2.823	70	20	CFID	
Cc1[nH]c2ccccc2c1C(=O)Nc1c[nH]c(=O)c(C)c1	159612607	MVLJBGHGNVPNTE-UHFFFAOYSA-N	281.315	2.725	70	20	CFID	
CCOc1ccccc1CNCCNC(=O)OC(C)(C)C	218126573	VIQVIIFUNHWGHZ-UHFFFAOYSA-N	294.395	2.700	70	20	CFID	
C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1cscn1	218240186	LMHKCCIRZHQVJP-SNVBAGLBSA-N	285.413	2.661	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)CSc2ccccc2Cl)C1	161373482	XDALUXLJXKVPKX-WDEREUQCSA-N	298.839	2.818	70	20	CFID	
COc1ccccc1C[C@H](C)N[C@H]1CCN2CCCC[C@@H]12	218125538	NMBKRJLHZOPLHP-XIRDDKMYSA-N	288.435	2.843	70	20	CFID	
CCCCN1CCCC[C@H]1CNC(=O)C1(CCOC)CC1	161183149	HNKIDYQNVSOSSS-HNNXBMFYSA-N	296.455	2.574	70	20	CFID	
Cc1cccc2nc(CN(C)c3ccccc3F)cc(=O)n12	161242319	WWQFMZUFCWOKRI-UHFFFAOYSA-N	297.333	2.778	70	20	CFID	
CN(CCc1nccs1)C(=O)Nc1ccc(Cl)nc1	161274060	MSOHGIJQHLBXSX-UHFFFAOYSA-N	296.783	2.898	70	20	CFID	
CCCCc1ccc(CC(=O)N2CCC[C@@H]2CNC)cc1	161364730	YSXGUQDHSFZTDM-QGZVFWFLSA-N	288.435	2.782	70	20	CFID	
C[C@H](C(=O)NCc1cccc(O)c1)c1cccs1	160226832	YNUNRICTKGZRJO-JTQLQIEISA-N	261.346	2.874	70	20	CFID	
CC(C)(CNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	160390061	UUSRRZCHMVABSF-KRWDZBQOSA-N	290.407	2.521	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)N1CCc2cc(C(=O)OC)ccc21	160767919	TYUHXALXZQJYPZ-DYVFJYSZSA-N	287.359	2.799	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCCC1CCCC1	160853833	MGTMYYSIECEPGI-GFCCVEGCSA-N	269.385	2.805	70	20	CFID	
FC(F)(F)c1csc(N2CCOC[C@H]2C2CC2)n1	159654183	OABKUVRUGDYZAW-QMMMGPOBSA-N	278.299	2.777	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H](C)SC)cc1F	159692960	LQRXNRBOGAEYMQ-MRVPVSSYSA-N	257.330	2.549	70	20	CFID	
CC(C)=CCOc1cccc(C(=O)NC[C@H](O)C(C)C)c1	159694213	AXOIVYTZGJCODV-INIZCTEOSA-N	291.391	2.778	70	20	CFID	
CC[C@H](C)C[C@H](C)NC(=O)N(C)CC1CCOCC1	159501275	UXDNKOALXSNDPM-STQMWFEESA-N	270.417	2.879	70	20	CFID	
O=C(Oc1ccccc1Br)[C@H]1CCCCO1	159952334	JNKMFZSHSGUQSU-LLVKDONJSA-N	285.137	2.924	70	20	CFID	
CC(C(=O)NC[C@H](O)c1ccsc1)=C1CCCC1	159581449	OSTFPJNBHNOQRL-ZDUSSCGKSA-N	265.378	2.788	70	20	CFID	
Cc1oc2ccccc2c1CN1C[C@H](C(N)=O)CC[C@@H]1C	159597091	PVZLWOLTHJSFTR-WCQYABFASA-N	286.375	2.827	70	20	CFID	
C[C@H](NCCC(C)(C)O)c1cnn(Cc2ccccc2)c1	159964025	YARJVHOLDQKXJS-AWEZNQCLSA-N	287.407	2.743	70	20	CFID	
C[C@]1(NC(=O)c2cc3ccccc3c(Cl)n2)CCOC1	160209935	WRYBVYJIKSRRIU-HNNXBMFYSA-N	290.750	2.797	70	20	CFID	
CCCCOCCCNC(=O)c1ccccc1NC	160377000	BLVWRZQRJQGGGS-UHFFFAOYSA-N	264.369	2.665	70	20	CFID	
CCO[C@@H]1C[C@H](NCc2cccc3c2OCCO3)C1(C)C	217874394	VMRWOMBYIQQRIM-LSDHHAIUSA-N	291.391	2.751	70	20	CFID	
CCNCC1CCN(C(=O)c2cccc3c2CCC3)CC1	161002059	YKNALZOKCIMGRS-UHFFFAOYSA-N	286.419	2.637	70	20	CFID	
O=C(/C=C/c1ccco1)N[C@@H]1CCOC2(CCCC2)C1	161321388	RIRIQNSEULZICA-URWSZGRFSA-N	275.348	2.901	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)C[C@H]1C	160226461	OTKSPZBQBATVLK-NKWVEPMBSA-N	290.339	2.986	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)C1=CCCCO1	160469309	BBJJEZSFAXGRRV-LLVKDONJSA-N	263.362	2.936	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)CCCOc1ccc(F)cc1	160641028	FONAMAMTWJSNIM-HNNXBMFYSA-N	297.370	2.508	70	20	CFID	
COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1O	160767644	DAYABRVCMOKWSW-UHFFFAOYSA-N	299.326	2.612	70	20	CFID	
C[C@@H](C(=O)N1CCCNCC1)c1ccc2ccccc2c1	160871400	OYOFMBMZIZKFIE-CQSZACIVSA-N	282.387	2.765	70	20	CFID	
Cc1nnc(SCCn2ccnc2)n1Cc1ccccc1	159600506	KAWZHRABQJWUJZ-UHFFFAOYSA-N	299.403	2.624	70	20	CFID	
CCCCn1ncc(NC(=O)NC(C)(C)COC)c1C	159647619	AVRJOWPOYPLLRX-UHFFFAOYSA-N	282.388	2.538	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)NCC1(c2ccccc2)CC1	159664064	CDMJYDHBKQKSOI-HUUCEWRRSA-N	288.391	2.585	70	20	CFID	
C[C@@H]1CCC[C@@](CNC(=O)NC2(C)CCC2)(N(C)C)C1	159884148	LPPCAKXBEYWUHX-CZUORRHYSA-N	281.444	2.739	70	20	CFID	
CC[C@@H](C)OCC(=O)N1CCN(C)c2ccc(Cl)cc21	159890265	YPGJTHFKRWEHDH-LLVKDONJSA-N	296.798	2.938	70	20	CFID	
Cc1cccc([C@H](C)C(=O)NCCN2CCC[C@H](C)C2)c1	159903869	AMWNOSMAEZXXQP-HOTGVXAUSA-N	288.435	2.947	70	20	CFID	
Cc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1O	159920527	DTASHJCEXKGFOU-CYBMUJFWSA-N	289.375	2.922	70	20	CFID	
O=C([C@@H](Cc1ccccc1)NCc1ccco1)N1CCCC1	159933136	IQKJMJPOJIQQKH-QGZVFWFLSA-N	298.386	2.603	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(CNCC2CC2)n1	159944962	SKVPASCXFVYIKS-HNNXBMFYSA-N	287.363	2.695	70	20	CFID	
C[C@@H]1CN(C(=O)c2cc(F)cc3cccnc23)[C@H](C)CO1	159750790	VDRPBJZXSAOGGM-GHMZBOCLSA-N	288.322	2.623	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1c[nH]c(=O)c(C)c1	159393528	UMUDHUXPFRDVOZ-RYUDHWBXSA-N	288.372	2.795	70	20	CFID	
C[C@H](N[C@@H](C)c1cccc(F)c1F)C(=O)NC(C)(C)C	159413100	CZWXERAOLZREAJ-UWVGGRQHSA-N	284.350	2.919	70	20	CFID	
C[C@@H](NCCC(C)(C)O)c1cnn(Cc2ccccc2)c1	159964160	YARJVHOLDQKXJS-CQSZACIVSA-N	287.407	2.743	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)C1(c2ccc(Cl)cc2)CC1	160770855	HRKODCILGUKIIJ-AWEZNQCLSA-N	295.810	2.895	70	20	CFID	
CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	217788885	VMGHSXKGZBEXHD-NQBHXWOUSA-N	259.415	2.531	70	20	CFID	
CCCC1(CNC(=O)Nc2cnn(CC(F)F)c2)CC1	161203609	GVZQDRMNZUHMDB-UHFFFAOYSA-N	286.326	2.850	70	20	CFID	
CC(C)NCCC(=O)N[C@@H](Cc1ccccc1)C1CC1	161258932	GLOHKJMPFNJLMQ-INIZCTEOSA-N	274.408	2.512	70	20	CFID	
CC[C@H](C(=O)Nc1cc(OC)ncn1)c1ccc(F)cc1	161362826	LVUQMSPAORLTOW-LBPRGKRZSA-N	289.310	2.757	70	20	CFID	
CC[C@H](NC(=O)Cc1ccc(C)nc1)c1c(C)noc1C	160070710	NZIYYTWIORXJDD-AWEZNQCLSA-N	287.363	2.805	70	20	CFID	
N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1	160199053	NBLJXZHRQCQUGC-AGIUHOORSA-N	299.201	2.657	70	20	CFID	
CNC(=O)c1ccc(NC(=O)C2CC=CC2)c(Cl)c1	160262580	HKAYOPYFGBFJGR-UHFFFAOYSA-N	278.739	2.604	70	20	CFID	
CSC[C@@H](CCO)N[C@@H](C)c1ccc(C)cc1	160397080	AEIQYPQWJWNMJX-GXTWGEPZSA-N	253.411	2.760	70	20	CFID	
Cc1cc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)no1	160442341	BDMLJXMMADJWKP-UHFFFAOYSA-N	297.318	2.712	70	20	CFID	
CN(CCC1CC1)C(=O)Nc1ccn(CC(F)(F)F)n1	160645639	PJMQNPLJSOINTE-UHFFFAOYSA-N	290.289	2.709	70	20	CFID	
CS[C@H](C)CC(=O)NCCOc1cc(C)cc(C)c1	160949442	CSAHWAVXHHNZIS-CYBMUJFWSA-N	281.421	2.940	70	20	CFID	
COC(C)(C)C[C@@H](C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1	160966447	KPFSLHDREJERLQ-IPYPFGDCSA-N	292.423	2.642	70	20	CFID	
CCOc1cncc(N[C@@H]2CCCc3cc(N)ccc32)n1	159478825	XXRFZNASEQAZIJ-CQSZACIVSA-N	284.363	2.947	70	20	CFID	
O=C(NCCc1cc2ccccc2[nH]1)C1[C@@H]2CCC[C@@H]12	159592655	XHYXLBGAZFICIF-ZIAGYGMSSA-N	268.360	2.873	70	20	CFID	
C[C@H]1CCC[C@H](CNCCNC(=O)OC(C)(C)C)C1	218133161	MDEVQLUNYDHJGA-STQMWFEESA-N	270.417	2.927	70	20	CFID	
C[C@@H](CN1CCCC1=O)NCc1coc2ccccc12	161092860	ZDGZRQZUNFQFES-LBPRGKRZSA-N	272.348	2.533	70	20	CFID	
CCC[C@H](NCC(=O)NC(C)C)c1ccc(OC)cc1	160917450	PKFGQIYVTSZTBC-HNNXBMFYSA-N	278.396	2.651	70	20	CFID	
CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864244137	MDBDUDFMSWMZJQ-TZMCWYRMSA-N	299.367	2.509	70	20	CFID	
CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2ccnc2C1	161326562	VHPSKDFNTGQMCS-JKSUJKDBSA-N	297.402	2.583	70	20	CFID	
Cc1cc(C(=O)Nc2cccc3c2CCCC3)ncn1	161396245	FBBHDRDXMCSIKK-UHFFFAOYSA-N	267.332	2.916	70	20	CFID	
COc1c(Cl)cccc1NC(=O)N1CCC[C@](C)(O)C1	160112547	ZEMLGFMJBIGIPG-AWEZNQCLSA-N	298.770	2.727	70	20	CFID	
CCSCc1ccc(C(=O)N2CCC[C@H]2CN)cc1	160233630	UBKSFOHBFILSGN-AWEZNQCLSA-N	278.421	2.503	70	20	CFID	
O=C(N1CCCCCC1)N1CCC(N2CCCCC2)CC1	160381950	CRYZBHBWFDHVOR-UHFFFAOYSA-N	293.455	2.933	70	20	CFID	
CC(=O)Nc1ccc(OC(=O)C2=C(C)OCCC2)cc1	160446474	DHWGBETUTROTHX-UHFFFAOYSA-N	275.304	2.635	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)C(C)(C)c1ccc(F)cc1	160598949	DDKJZWSLHFFWIX-AWEZNQCLSA-N	281.371	2.627	70	20	CFID	
C[C@H](NC(=O)[C@H]1CCCCN1)c1ccc(F)cc1Cl	159625132	NMPKIBMDSWIUBV-TVQRCGJNSA-N	284.762	2.798	70	20	CFID	
CN(Cc1ccccc1Cl)C(=O)[C@H]1CCCCO1	159856117	ONSSYSYNJHOTQR-CYBMUJFWSA-N	267.756	2.868	70	20	CFID	
CCn1c(S[C@@H](C)C(C)=O)nc2ccc(F)cc2c1=O	159863174	VJRQFVIEETXDGT-VIFPVBQESA-N	294.351	2.625	70	20	CFID	
OCCN[C@H](CCc1ccccc1)c1ccccc1	159703802	VAZSSHNQCCXJQD-QGZVFWFLSA-N	255.361	2.942	70	20	CFID	
CC[C@H](CCO)CNC(=O)Nc1ccnc(C)c1Cl	159755434	ONVUFJFSVRUWBQ-SNVBAGLBSA-N	285.775	2.574	70	20	CFID	
CCCCSCCC(=O)N[C@@H](CO)Cc1ccccc1	159978793	HOIAJGCAODQYQW-OAHLLOKOSA-N	295.448	2.630	70	20	CFID	
CC(C)(C)c1nsc(N2CC[C@@H](CN3CCCC3)C2)n1	159588818	NLOGZUYUGYBDCE-LBPRGKRZSA-N	294.468	2.758	70	20	CFID	
NC(=O)CC1CCN(Cc2ccc(Cl)c(F)c2)CC1	159838048	RGOKEZKNCATQIC-UHFFFAOYSA-N	284.762	2.567	70	20	CFID	
C[C@@H](CC(N)=O)NCC(c1ccccc1)c1ccccc1	218579831	PEKJXDFLFOFXSN-AWEZNQCLSA-N	282.387	2.672	70	20	CFID	
COc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)cc1F	161443602	XNESVTHLZDSDNE-UWVGGRQHSA-N	251.301	2.847	70	20	CFID	
C[C@H]1CCCN(CCNC(=O)[C@H]2CCC[C@@H](C)C2)C1	160587245	DDTYMFRWJHNQQV-ILXRZTDVSA-N	266.429	2.661	70	20	CFID	
NC(=O)[C@@H]1CCCCC[C@H]1Nc1nc2cc(F)ccc2o1	160732591	INZSSJINPKQZSE-GHMZBOCLSA-N	291.326	2.813	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@@H](CC(N)=O)C1	159950620	UGHBKGXTDUGHJA-UONOGXRCSA-N	294.439	2.707	70	20	CFID	
Clc1cc(NC[C@H]2CCN(C3CC3)C2)nc(C2CC2)n1	217970270	VQQOPPUVTVGSQV-SNVBAGLBSA-N	292.814	2.904	70	20	CFID	
CC(C)(C(=O)NCC1(CO)CCCC1)c1ccccc1	160300213	NUTICLHHIAAMNP-UHFFFAOYSA-N	275.392	2.633	70	20	CFID	
C[C@H]1CN(CCCN2CCCCC2)C[C@@H](C)S1	161379503	SCBXEXUINDNAGM-OKILXGFUSA-N	256.459	2.688	70	20	CFID	
CCCCC(=O)NC[C@H]1CCCN1c1ccccc1	217806297	FRHANQQTCORLRA-OAHLLOKOSA-N	260.381	2.962	70	20	CFID	
C[C@@H](CCOCC(F)(F)F)CCS(=O)(=O)Cl	114640230	CCJXFIMUGDBZLQ-ZETCQYMHSA-N	282.711	2.550	70	20	CFID	
CCCn1c(C)nnc1CN1CCC(C(C)C)CC1	159680189	XKQYOGOYDSPYMB-UHFFFAOYSA-N	264.417	2.865	70	20	CFID	
CCCCn1ncc(C(=O)NCCc2ccco2)c1C	160024904	ALUWOXGVFPLUQH-UHFFFAOYSA-N	275.352	2.557	70	20	CFID	
CCN(CCNC(=O)[C@@H](C)Cc1ccccc1F)C(C)C	160177060	QOOTYQPHKUJZPR-AWEZNQCLSA-N	294.414	2.851	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCCN2CCCCCC2)C1	160221987	XOLCUAVEMPATRO-CABCVRRESA-N	266.429	2.805	70	20	CFID	
CC[C@H](NC(=O)c1ccc(C)n1C)c1c(C)noc1C	160628333	BOFGQMSSDGTOEF-LBPRGKRZSA-N	275.352	2.819	70	20	CFID	
CN(Cc1noc(C2CCOCC2)n1)c1ccc(F)cc1	160816864	NHYYHQVXAUDBBX-UHFFFAOYSA-N	291.326	2.739	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@@H]1CCc2cc(F)ccc21	160843708	SVGPIVDBEAPLCT-QMTHXVAHSA-N	265.328	2.744	70	20	CFID	
CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2C)C1	159819609	QWZKGNDDNZEPHV-KBPBESRZSA-N	260.381	2.657	70	20	CFID	
C[C@@H](CNC(=O)NCC1(C2CC2)CCC1)CN1CCCC1	159660055	DYLJJJYUXXULES-AWEZNQCLSA-N	293.455	2.598	70	20	CFID	
Cc1ccc(CN(CCC2CCCCC2)CC(N)=O)nc1	159866894	WFCFGFLIBQTJTL-UHFFFAOYSA-N	289.423	2.648	70	20	CFID	
CCOc1cc(N[C@H]2CCCc3cc(N)ccc32)ncn1	159485047	JPRDZZDTZWNZOD-AWEZNQCLSA-N	284.363	2.947	70	20	CFID	
CCCCn1ncc(NC(=O)NCc2cc(C)no2)c1C	159693275	SAOQASFPKWSPCR-UHFFFAOYSA-N	291.355	2.610	70	20	CFID	
CC(C)CCCNC(=O)c1ccc(CN(C)C)cc1	159897701	NKNCWBNYDOLHSW-UHFFFAOYSA-N	262.397	2.914	70	20	CFID	
CCOC(=O)c1ccc(CNC(=O)NC2(C)CCC2)cc1	159931869	XCHLZBGIKWLPCA-UHFFFAOYSA-N	290.363	2.605	70	20	CFID	
CCc1nc(CSCc2c(CC)noc2C)no1	159745703	CJTWFZLMEXIOHE-UHFFFAOYSA-N	267.354	2.924	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1c(C)cc(C)cc1C	159766080	ZXHARSGMDMHHAI-UHFFFAOYSA-N	291.395	2.602	70	20	CFID	
C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1	159386744	IJHOBHKXTZMPJI-HIFRSBDPSA-N	287.407	2.523	70	20	CFID	
Cc1nccc(CNCC2C3CC4CC(C3)CC2C4)n1	216836868	KPALKORYUQGFNZ-UHFFFAOYSA-N	271.408	2.947	70	20	CFID	
CC(C)C[C@H]1CCN(C(=O)C2(N)CCCCC2)C1	159613212	OBQBFGVLDFNTME-CYBMUJFWSA-N	252.402	2.543	70	20	CFID	
CCCCN1CCC(NCc2ccnn2CCC)CC1	160084088	MOYYKUAOIXLCFE-UHFFFAOYSA-N	278.444	2.647	70	20	CFID	
N[C@@H](Cc1nc([C@@H]2CCCS2)no1)c1ccccc1	160624974	JDUOMIKGJQHLGM-RYUDHWBXSA-N	275.377	2.880	70	20	CFID	
CC[C@H](C)[C@H](O)CNC(=O)c1cc(C)c(F)c(C)c1	160040024	XMEWNJFIGVZQRH-TVQRCGJNSA-N	267.344	2.579	70	20	CFID	
C[C@H](N)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C	160073237	BFMGYLUCCGFUCA-AAEUAGOBSA-N	254.418	2.835	70	20	CFID	
O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)F)c1	1339473104	ZWIKYHIMMJGLLL-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
Cc1cc(C)cc(Cn2c(-c3cccnc3)noc2=O)c1	161296678	QGPUFNWGDKLOQU-UHFFFAOYSA-N	281.315	2.563	70	20	CFID	
CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)nc2)cc1	161462344	FJZUZOHMIKTSOS-UHFFFAOYSA-N	284.319	2.992	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1csc2c1CCCC2	160431553	SDDXULVRGDMQEP-SNVBAGLBSA-N	295.404	2.698	70	20	CFID	
Cc1cccc([C@@H]2CCCN2Cc2nc(C3CC3)no2)n1	160456078	NYMKBMOIUWDPCW-AWEZNQCLSA-N	284.363	2.988	70	20	CFID	
CC[C@@H](Oc1ccccc1C)C(=O)NCC(N)(CC)CC	160561415	PWSAKAVSDVNNKC-CQSZACIVSA-N	292.423	2.786	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccccc1COC	160719426	MCNKJJNCLRMFFZ-UHFFFAOYSA-N	294.395	2.753	70	20	CFID	
COC(=O)c1csc(NC(=O)N[C@H]2C=CCCC2)c1	160869424	GMYHVKRCYPMXQJ-JTQLQIEISA-N	280.349	2.765	70	20	CFID	
CC[C@@H](C)N(C)C(=O)NC[C@H]1CCCCN1CC(C)C	160968504	KZLMKNUICDEPDP-HUUCEWRRSA-N	283.460	2.937	70	20	CFID	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CNCC2CC2)C1	159434246	IQLNWAGOJOJWKY-MLGOLLRUSA-N	290.382	2.735	70	20	CFID	
CC(C)(N)CNC(=O)Cc1coc2ccc3ccccc3c12	159927071	HPGWNXJOUSTWEU-UHFFFAOYSA-N	296.370	2.982	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1O	159396742	MOLNVMIHEASUJI-GFCCVEGCSA-N	293.338	2.753	70	20	CFID	
COCCN(CCNCC(C)(C)C)C(=O)OC(C)(C)C	218143465	JKJAVFDKRWWITK-UHFFFAOYSA-N	288.432	2.506	70	20	CFID	
CCN(CCCO)C(=O)c1csc2c1CC[C@H](C)C2	160527923	MRXCTNIKMGAODC-NSHDSACASA-N	281.421	2.717	70	20	CFID	
CCN(C)C(=O)CN[C@@H]1CCCc2c1[nH]c1ccccc21	217350679	CTEUMWFGVSAGJI-OAHLLOKOSA-N	285.391	2.613	70	20	CFID	
CC(C)(C(=O)Nc1ccc(S(=O)(=O)F)cc1)C(F)F	460094688	SEWNCUKLVQHRFW-UHFFFAOYSA-N	295.282	2.575	70	20	CFID	
CCN(Cc1nccs1)S(=O)(=O)c1ccc(C)cc1	161266359	WMRUOSOJSQFEEH-UHFFFAOYSA-N	296.417	2.662	70	20	CFID	
CCc1ncc(NC(=O)NCCc2ccccc2C)cn1	161189962	ZJTPUWKZURYYKA-UHFFFAOYSA-N	284.363	2.712	70	20	CFID	
Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CCC[C@@H](N)C2)s1	161411794	FWSKQTUIMURQPB-VXGBXAGGSA-N	295.452	2.650	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)Nc2nnc(-c3ccccn3)[nH]2)C1	161483047	OGPYYEBIRYVPNN-GHMZBOCLSA-N	285.351	2.632	70	20	CFID	
Cc1ccc(NC(=O)N[C@@H]2COc3ccccc3C2)cn1	161486762	GDENRMRMSRLVFG-AWEZNQCLSA-N	283.331	2.515	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(Cl)s1)CC2	160370373	OVDMBGOAHFAPIK-WPRPVWTQSA-N	296.827	2.967	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)c1cccc(C)c1	160472402	DIYMXVMGBOHTRF-OLZOCXBDSA-N	277.364	2.556	70	20	CFID	
CSCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(C)c1C	160836258	KDGUEAASHOPHBJ-GXTWGEPZSA-N	280.437	2.561	70	20	CFID	
CC[C@@H](NCC(=O)Nc1cccnc1)c1ccc(F)cc1	160862464	AKWRIJWZARJEJG-OAHLLOKOSA-N	287.338	2.900	70	20	CFID	
CS(=O)(=O)CCCCSCc1ccc(F)cc1	160901140	LEOQEFJVGZSFTJ-UHFFFAOYSA-N	276.398	2.884	70	20	CFID	
CCC[C@]1(C)CCCN(C(=O)CCNC(C)C)C1	160932816	GIMREZPCWIBBLJ-OAHLLOKOSA-N	254.418	2.803	70	20	CFID	
CC(C)CONC(=O)Nc1ccccc1O[C@H]1CCOC1	160994234	JNSQTZYJZVFNLO-LBPRGKRZSA-N	294.351	2.563	70	20	CFID	
CC1(NC(=O)NCc2cccc(Cn3cccn3)c2)CCC1	159856501	LMHBYBKQGWRABK-UHFFFAOYSA-N	298.390	2.673	70	20	CFID	
CC(C)(CNC(=O)C[C@@H]1CCCN1)Cc1ccccc1	159489319	MPPCKEQITFAJRY-HNNXBMFYSA-N	274.408	2.514	70	20	CFID	
COCc1ccccc1NC(=O)N1CCC[C@@H]1C[C@H](C)O	159882355	LDEDJMNEPMCFGI-GXTWGEPZSA-N	292.379	2.600	70	20	CFID	
CC(C)C[C@@]1(C)NC(=O)N(Cc2ccc(Cl)cn2)C1=O	159523538	UTOKKDDJGYXEIC-CQSZACIVSA-N	295.770	2.592	70	20	CFID	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C[C@@H]1CCCN1	159528900	PAPAAJWOFFRAPH-BWACUDIHSA-N	290.382	2.707	70	20	CFID	
COc1ccccc1S(=O)(=O)N1CC[C@H](C)C[C@@H](C)C1	159739987	VYPPZIJOSLVVMF-QWHCGFSZSA-N	297.420	2.752	70	20	CFID	
Cc1ccc(C(=O)OCc2nc(C)sc2C)cn1	159756133	ZMXAMFKDUXFHQB-UHFFFAOYSA-N	262.334	2.820	70	20	CFID	
O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCCCO1	159957286	ORAOMSDOCHTWJO-NSHDSACASA-N	257.692	2.987	70	20	CFID	
CNCC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1	159780801	HSQZOOOXOMQNBE-BBRMVZONSA-N	260.381	2.514	70	20	CFID	
CC1(C)CC(NC(=O)c2ccc(=O)[nH]c2)CC(C)(C)C1	159723597	FUEUCXLKFIHAIB-UHFFFAOYSA-N	276.380	2.710	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N1CC[C@H](C)[C@@H]1C	160700915	JJAPKYXHEVFSHK-WPRPVWTQSA-N	252.745	2.914	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCC[C@@H]2C)c1	161084274	AYWNRSXKCTXNIY-QMMMGPOBSA-N	268.338	2.551	70	20	CFID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H](COC)C2CC2)C1	161027022	CEBTZJZYUQAVCD-ZBFHGGJFSA-N	282.472	2.902	70	20	CFID	
CC(C)(C)NC(=O)N[C@H]1[C@H]2CCc3ccccc3[C@@H]21	161050373	CVDSKXZOBJUILE-IHRRRGAJSA-N	258.365	2.813	70	20	CFID	
COCC[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	161146413	ATMWVINNXLKSHG-SJKOYZFVSA-N	291.391	2.924	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCOC2)o1	161228630	LYWPVRZODILGLE-GXTWGEPZSA-N	293.363	2.516	70	20	CFID	
Cc1cc(C[C@H](C)NC(=O)[C@@H](C)CC2CCCC2)n[nH]1	161293231	OWPUFFCHURSUOF-RYUDHWBXSA-N	277.412	2.982	70	20	CFID	
CCC(CC)n1ncc(C(=O)N(C)CCCOC)c1C	161297478	NNBDQRMEGBMGIK-UHFFFAOYSA-N	281.400	2.661	70	20	CFID	
CCOCCC1(CNC(=O)c2c(C)noc2C)CCC1	161313484	ZYHSRPLMPLWAAV-UHFFFAOYSA-N	280.368	2.618	70	20	CFID	
CC(C)n1nccc1C(=O)N1CCC[C@@H]2CCC[C@H]21	161325312	KKTSDOKMBFDPQN-QWHCGFSZSA-N	261.369	2.869	70	20	CFID	
O=C(Cc1cccs1)N[C@H]1CCOC2(CCCC2)C1	161369819	SIVWESUXBBBAPS-LBPRGKRZSA-N	279.405	2.899	70	20	CFID	
CC(C)c1nccc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160348631	FEMAZEVXRAXCSX-QWHCGFSZSA-N	261.369	2.970	70	20	CFID	
CCCN1CCC(NC[C@H](C2CCCCC2)N(C)C)CC1	160386164	SLBUFHGUFMTLTF-GOSISDBHSA-N	295.515	2.961	70	20	CFID	
C[C@@H](C(=O)NCc1ccco1)c1c(F)cccc1F	160435276	IPTVAHBGHXFMIO-SECBINFHSA-N	265.259	2.978	70	20	CFID	
CCOCCCC(=O)N[C@@H](CC)c1c(C)noc1C	160597728	COCPISPMHVEPRW-LBPRGKRZSA-N	268.357	2.675	70	20	CFID	
CN[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1	160775912	HBKNWPURVHEELJ-KRWDZBQOSA-N	280.371	2.788	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2CC[C@@H](N)C2)ccc1OC(C)C	160903292	GXWWLECUFNRQQP-CHWSQXEVSA-N	276.380	2.848	70	20	CFID	
Cn1cnnc1CSc1ccc(Br)cc1	160952184	QDNPCSOXJYDUPG-UHFFFAOYSA-N	284.182	2.870	70	20	CFID	
CO[C@]1(C)C[C@H](NC(=O)C[C@@H](C)c2ccncc2)C1(C)C	160953596	AMBJBCBPALRKOJ-HACGYAERSA-N	290.407	2.895	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)Nc2cccc3c2C(=O)NC3)C1	159626804	APLGECYUIHDANQ-QWRGUYRKSA-N	272.348	2.695	70	20	CFID	
COCc1cccc(CNC(=O)C[C@@H](C)SC)c1	159437299	HDMWJXZVRCMBAW-LLVKDONJSA-N	267.394	2.591	70	20	CFID	
Cc1nc2ccc(NC(=O)N[C@@]3(C)CCOC3)cc2s1	159502417	HUXUNMPKUWDZJB-AWEZNQCLSA-N	291.376	2.905	70	20	CFID	
C[C@@H](NC[C@@H](C)N1CCc2ccccc21)C1CCOCC1	159940241	QZYWARSMORDAOR-HUUCEWRRSA-N	288.435	2.842	70	20	CFID	
COC(=O)[C@H](NC(=O)C1CCC(C)(C)CC1)C(C)C	160506279	OLDMLEYBDBUGMR-GFCCVEGCSA-N	269.385	2.517	70	20	CFID	
C/C=C(/CC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460091600	KMHBOQQSLPYCOX-OQFOIZHKSA-N	271.313	2.640	70	20	CFID	
Cc1nc(CC(C)C)sc1C(=O)N[C@H]1CCC[C@@H](N)C1	161209848	HCEARHGMNVSGTF-NEPJUHHUSA-N	295.452	2.650	70	20	CFID	
CN(OCc1ccccc1)C(=O)N[C@H]1CCOC(C)(C)C1	161281710	KGFOKZFSLXVZEC-AWEZNQCLSA-N	292.379	2.717	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)SC)o1	161326970	RLLICCMCYYSNSR-JQWIXIFHSA-N	283.393	2.841	70	20	CFID	
CC(C)Oc1ccc(CNC(=O)c2cccc(F)n2)cc1	161421922	XIMQXLJAYXGQAO-UHFFFAOYSA-N	288.322	2.938	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccccn2)o1	161483475	IDAAHEOFPBNMOW-AWEZNQCLSA-N	286.331	2.798	70	20	CFID	
CCCCNc1ccccc1C(=O)NC[C@@H](O)CCC	160027072	ISUKJDMYWFKNTH-ZDUSSCGKSA-N	278.396	2.789	70	20	CFID	
CC[C@H](C)C(=O)Nc1ccccc1N1CCC(CO)CC1	160256898	DLXHBWMLFSISFC-ZDUSSCGKSA-N	290.407	2.880	70	20	CFID	
CC[C@H](COC)NS(=O)(=O)c1ccc(C(C)(C)C)cc1	160327072	YLKPXPJCNONQJN-CYBMUJFWSA-N	299.436	2.687	70	20	CFID	
COc1ccccc1OC[C@@H](C)CNC(=O)NC(C)(C)C	160575402	FUJUPWUGDWQYLU-LBPRGKRZSA-N	294.395	2.808	70	20	CFID	
Cc1nn(C(C)(C)C)c(=O)n1CC(=O)CCC1CCCC1	160498041	ZZETYDJUGLJSHV-UHFFFAOYSA-N	293.411	2.648	70	20	CFID	
CCc1cnc(CN(C)Cc2cnc3ccccn23)s1	160938909	QKLVDUILEISUKJ-UHFFFAOYSA-N	286.404	2.985	70	20	CFID	
CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCC1(C)C	159486684	GYTOWGXIEZNZEK-ZDUSSCGKSA-N	269.433	2.547	70	20	CFID	
CCN1CCC[C@@H]1CNC(=O)CCCc1sccc1C	159906701	HHWGONFXCIPHQZ-CQSZACIVSA-N	294.464	2.980	70	20	CFID	
CC(C)c1nc(N(C)C)nc(N2Cc3ccccc3C2)n1	159553239	NBRAGDBHQPABEX-UHFFFAOYSA-N	283.379	2.581	70	20	CFID	
CNC(=O)c1cccc(CSc2ccncc2)c1	159972045	XYNZVJQYQZDMNS-UHFFFAOYSA-N	258.346	2.734	70	20	CFID	
CCc1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1	159527910	IRASPTVATSFLLS-BNOWGMLFSA-N	278.421	2.753	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCC2(N)CCCCC2)C1	159654416	MYOMAXNKNHGKHH-STQMWFEESA-N	252.402	2.591	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1csc2c1CCCC2	160312680	SOLWBBXHDSZNLV-UHFFFAOYSA-N	293.432	2.909	70	20	CFID	
CO[C@H](C)[C@@H](C)Nc1ccc(Cn2cccn2)cc1	161238730	WAMKHQKWFOQIQG-CHWSQXEVSA-N	259.353	2.767	70	20	CFID	
Cc1nnc(CSc2ccc(F)c(F)c2)n1C	161001947	IOVVLXBCMKBKLQ-UHFFFAOYSA-N	255.293	2.694	70	20	CFID	
COc1cc(N[C@@H]2CCN(C)[C@@H](C)C2)ccc1F	160038729	LOSCXLQPYVFLMR-CMPLNLGQSA-N	252.333	2.729	70	20	CFID	
C[C@H]1CC[C@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349532372	LTMVMMQEYPUGDS-QWRGUYRKSA-N	299.367	2.511	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)COCC1CC1	161118468	VFEWDSGTMGTAOP-KGLIPLIRSA-N	253.386	2.840	70	20	CFID	
COCCC1(CNC(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1	161118693	DSWZBQMCSOUDBW-KBPBESRZSA-N	280.412	2.777	70	20	CFID	
O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)C1=CCCC1	161474055	IBSGAPMCUOKSGB-XHSDSOJGSA-N	253.345	2.799	70	20	CFID	
CCOCCC1(CNC(=O)N(C)CC(C)(C)C)CC1	161483431	UHRSBRPKPSKNND-UHFFFAOYSA-N	270.417	2.881	70	20	CFID	
Cc1ccc(NC(=O)Cn2nc(C3CC3)nc2C2CC2)cc1	161489365	BGSCREFPBKDJJU-UHFFFAOYSA-N	296.374	2.980	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2	160028357	XOCLJNJROYXWTC-MLGOLLRUSA-N	275.348	2.810	70	20	CFID	
OCC1(CNCc2ccc(-n3ccnc3)cc2)CCCC1	160099605	JKJZBYRYODIBIR-UHFFFAOYSA-N	285.391	2.515	70	20	CFID	
CN(C(=O)[C@@H]1COc2ccccc21)c1ccc2c(c1)OCO2	160167978	OZWZFBNLFJOARN-CYBMUJFWSA-N	297.310	2.554	70	20	CFID	
CS[C@@H](C)CNC(=O)NCC1(CC(C)C)CC1	160185759	TUIDVNAAVFYPLG-NSHDSACASA-N	258.431	2.863	70	20	CFID	
COC(=O)c1[nH]c(C)c(C(=O)N2CCCC(C)(C)C2)c1C	160417349	WNZYZVPCCPEKJC-UHFFFAOYSA-N	292.379	2.680	70	20	CFID	
O=C(Nc1ccc2c(c1)CCC2)C(=O)N1CCC2(CCC2)C1	159419853	GBSUORWWYACBMA-UHFFFAOYSA-N	298.386	2.516	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)CC2CCNCC2)cc1	159659073	OGLFHTYVGVNETA-CQSZACIVSA-N	274.408	2.604	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1C[C@@H]1C1CC1	159508997	PQDAJCCVWKGXRM-MJBXVCDLSA-N	263.381	2.641	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](C)[C@H]2CCCO2)c1C	159714260	XYNQNCWHSBBBKJ-BXUZGUMPSA-N	294.399	2.681	70	20	CFID	
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC2(C)C)CC1	159553528	PUOYPBCBLHHEDU-AWEZNQCLSA-N	294.439	2.530	70	20	CFID	
CCN(Cc1ccoc1)Cc1cnc2ccccn12	159561188	XUHMQJHAGNAQKO-UHFFFAOYSA-N	255.321	2.949	70	20	CFID	
CCCCOCCCNC(=O)[C@H]1CNc2ccccc21	160309340	ABBZWJFKDSRQJF-AWEZNQCLSA-N	276.380	2.519	70	20	CFID	
CSCC[C@@H](C)N(C)Cc1cccc2c1CCNC2	161506874	BBGDRHBOFNQZAM-CYBMUJFWSA-N	278.465	2.906	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N1C[C@@H](C)OC(C)(C)C1	161469607	CLHGKBYRADVWMF-SECBINFHSA-N	282.771	2.683	70	20	CFID	
Cc1coc(C)c1C(=O)Nc1cccc(S(=O)(=O)F)c1	460088965	DPPWMLAGHIQUBC-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CCCN1	161135774	LJHRSDKWWHDSAE-INIZCTEOSA-N	288.391	2.836	70	20	CFID	
CCC[C@@H](CCO)CNC(=O)/C=C/c1ccccc1OC	161160359	QPFRNUAFFBNIAT-HBWSCVEGSA-N	291.391	2.623	70	20	CFID	
O=C(CCc1ccc(F)cc1F)NC[C@@H]1CCCCO1	161261203	BNAUGNZYGSYUGX-ZDUSSCGKSA-N	283.318	2.583	70	20	CFID	
C[C@@H](CC(=O)N(C)CCc1cccs1)C1CCNCC1	161395198	VPLQJBJNUQHNGC-ZDUSSCGKSA-N	294.464	2.775	70	20	CFID	
CC[C@H](NCc1ccc(OC(C)C)nc1)[C@@H]1CCOC1	160088730	ZIPRFVNAKRKMHL-CABCVRRESA-N	278.396	2.774	70	20	CFID	
O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCCCO1	160127681	BJMDDVLGGICMBS-QWHCGFSZSA-N	277.389	2.909	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)[nH]2)o1	160270852	QZHOMVIHAIJQJW-UHFFFAOYSA-N	286.266	2.765	70	20	CFID	
C[C@H](NC[C@@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160403343	RFVJDYOXCIGTAY-BBRMVZONSA-N	278.444	2.581	70	20	CFID	
CN(Cc1cccn1C)C(=O)C1(c2ccccc2)CC1	160513732	WCCQQGJEURPEIA-UHFFFAOYSA-N	268.360	2.715	70	20	CFID	
CCc1nc(CN[C@@H](c2ccc(OC)cc2)C2CC2)n[nH]1	160540293	CWZIPVYADAHAMG-MRXNPFEDSA-N	286.379	2.617	70	20	CFID	
CCCCOCCCNc1ncc(C(=O)OC)s1	160568217	WCZIGGYNNPJHNK-UHFFFAOYSA-N	272.370	2.548	70	20	CFID	
CCc1ccc(-c2ccc(C(=O)N3CC[C@H](NC)C3)o2)cc1	160684393	FFVWOSOPVBWAGI-HNNXBMFYSA-N	298.386	2.943	70	20	CFID	
Cc1c(F)cccc1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1	159617645	DBPZETPMQMZLCP-UHFFFAOYSA-N	299.305	2.566	70	20	CFID	
CC(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1cnn(C)c1	159673552	WEEIYVLEIDRPAM-KRWDZBQOSA-N	299.418	2.893	70	20	CFID	
CC[C@H]1CCCC[C@H]1NC(=O)N1CCCN(CC)CC1	159684143	AZYBOBZZGIEEOF-LSDHHAIUSA-N	281.444	2.692	70	20	CFID	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C1CCC(C)(C)CC1	159495989	UKFFYXSMXFTXTK-NWDGAFQWSA-N	282.428	2.622	70	20	CFID	
COC(=O)c1cc(NC(=O)[C@H]2CC2(C)C)ccc1C	159919875	CGOLKNUXCAHWLV-GFCCVEGCSA-N	261.321	2.766	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cc(C)ccc1OC	159944883	VGXPVSRSZCNWRE-UHFFFAOYSA-N	294.395	2.924	70	20	CFID	
C[C@H](N[C@H](CC(N)=O)C1CCCCC1)c1ccccn1	159751901	KZDKMIQYLKWEBO-SWLSCSKDSA-N	275.396	2.557	70	20	CFID	
CCC[C@@H](O)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1	159392438	HUMLNSPRJKKMDY-HUUCEWRRSA-N	293.407	2.820	70	20	CFID	
CCNc1nc(C(=O)N[C@@H]2CCC[C@@H]2CC)cs1	159500064	BTHBTTLXIAGNRG-VHSXEESVSA-N	267.398	2.883	70	20	CFID	
CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1	159590217	QIDDBNAHKFROLW-IYBDPMFKSA-N	272.392	2.777	70	20	CFID	
C[C@@H]1CCCN(C(=O)N2CCc3ccccc3C2)C1	160296011	JQAIXKTXTWIQKU-CYBMUJFWSA-N	258.365	2.897	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccsc1	185103918	WVLAWRVSXZRLHB-UHFFFAOYSA-N	285.321	2.659	70	20	CFID	
CSCCNC(=O)Nc1ccnc(C)c1Cl	159720518	FOZOACIAURQIGC-UHFFFAOYSA-N	259.762	2.528	70	20	CFID	
COC[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](N(C)C)C1	161076927	NTKFXLKPODLINV-OKZBNKHCSA-N	290.451	2.707	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	160010039	MTXLLMQZBNKJLR-OBJOEFQTSA-N	281.396	2.683	70	20	CFID	
CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)COC	160072258	RZQXLVJBTNWZTN-HNNXBMFYSA-N	291.439	2.655	70	20	CFID	
COc1cc(F)c(NC(=O)NOCC(C)C)cc1OC	160148996	VVHOGEFHGDYDIO-UHFFFAOYSA-N	286.303	2.552	70	20	CFID	
CSC[C@H](CCO)N[C@H](Cc1ccccc1)C1CC1	160172287	RXIOINMBNDAGNL-JKSUJKDBSA-N	279.449	2.711	70	20	CFID	
Cc1nc(C)c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)s1	160180716	TWCOCTBZRXRARK-GFCCVEGCSA-N	294.420	2.982	70	20	CFID	
CCc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1	160332432	ZIPOWMFLYRODMU-WBMJQRKESA-N	284.407	2.815	70	20	CFID	
Cc1ccc([C@H]2[C@H](C)CCCN2S(=O)(=O)N(C)C)cc1	160344098	XNWRTHXIWRIKIT-UKRRQHHQSA-N	296.436	2.574	70	20	CFID	
CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCCC1(C)C	159606036	GBFNVCNWBMUFLV-CQSZACIVSA-N	283.460	2.937	70	20	CFID	
CC[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	159908571	SYNZUCHMVDBRII-RHSMWYFYSA-N	290.407	2.737	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	159738539	BQLMHEAQYMMSTP-SNVBAGLBSA-N	288.351	2.534	70	20	CFID	
CSC[C@](C)(O)CNCc1ccc(OC(C)C)cc1	217866164	BJYOVZWVZUIAAH-OAHLLOKOSA-N	283.437	2.677	70	20	CFID	
Cc1nnc2c(NC[C@H]3CCC[C@@H](C)C3)nccn12	218050083	BHEOJMUSWNOKBH-PWSUYJOCSA-N	259.357	2.671	70	20	CFID	
FC(F)(F)c1nnc(N[C@H]2CCN3CCCC[C@@H]23)s1	160326911	WDKZMHPDOKXGJP-YUMQZZPRSA-N	292.330	2.596	70	20	CFID	
Cc1cc(CN2CCC(C)(O)CC2)c2ccccc2n1	161198264	JOQBRIKJSPKQTF-UHFFFAOYSA-N	270.376	2.890	70	20	CFID	
O=S(=O)(Cl)CCOc1ccc(Cl)c(Cl)c1	103977280	LEGXYWNFHBNCAZ-UHFFFAOYSA-N	289.567	2.941	70	20	CFID	
Cc1ccc(NC(=O)NCCCC(=O)OC(C)C)cc1F	161023969	UIRHNNHVGRFAAD-UHFFFAOYSA-N	296.342	2.987	70	20	CFID	
CC(C)c1ccsc1C(=O)NC[C@@H](C)CCO	161035268	FXTWDFKZHRLENX-JTQLQIEISA-N	255.383	2.620	70	20	CFID	
COC(=O)[C@](C)(NC(=O)C1CCC(C)(C)CC1)C1CC1	161294483	VCRQMUXJJKLWQA-MRXNPFEDSA-N	281.396	2.661	70	20	CFID	
CCC(CC)c1cc(C(=O)NC[C@H]2CCN(CC)C2)on1	161317819	REUIOAFLRUYHOH-GFCCVEGCSA-N	293.411	2.650	70	20	CFID	
COCC(C)(C)c1nc(-c2ccc(OC)cc2)no1	161465296	PTQRYFJENRQQHZ-UHFFFAOYSA-N	262.309	2.669	70	20	CFID	
COCC[C@H](C)NCCC1CCN(CC(F)(F)F)CC1	160033653	CRDYNGKKXDZFDX-LBPRGKRZSA-N	296.377	2.665	70	20	CFID	
COc1ccc(C(=O)NCC2(C3CC3)CC2)cc1F	160203544	XYIROSNRHBAAMM-UHFFFAOYSA-N	263.312	2.754	70	20	CFID	
CC[C@@H](NCCN1CCC(N(C)C)CC1)c1cccs1	160207438	ZIKMHMMRDLNBTH-OAHLLOKOSA-N	295.496	2.815	70	20	CFID	
CSC[C@@H](CCO)N[C@H](C)c1ccc(C)cc1	160396967	AEIQYPQWJWNMJX-TZMCWYRMSA-N	253.411	2.760	70	20	CFID	
O=C(Nc1cc2c(cc1Cl)OCCO2)[C@H]1CCCCO1	160345274	JISJWSSDKNMBLZ-LLVKDONJSA-N	297.738	2.619	70	20	CFID	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@H](C)CO	160561829	YTINNCFAHGOJLD-OLZOCXBDSA-N	293.407	2.591	70	20	CFID	
CCOC[C@@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1	160594818	KZOQVTCVCIOPJD-LSDHHAIUSA-N	290.407	2.850	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cccc(COC)c1	160647438	RRIHQWOZQDHGNB-UHFFFAOYSA-N	294.395	2.753	70	20	CFID	
Cn1cnnc1CN1CCC[C@@H]1c1nc2ccccc2s1	160687496	DOOBHVVBEJMNHZ-GFCCVEGCSA-N	299.403	2.762	70	20	CFID	
CC[C@H](NCCCNC(C)=O)c1ccc(F)cc1F	160718429	OOKNRRXKNHZTPV-AWEZNQCLSA-N	270.323	2.532	70	20	CFID	
Cc1nnc(CSc2nc3ccc(Cl)cc3[nH]2)n1C	160926952	HQXCVQHJAVFNHL-UHFFFAOYSA-N	293.783	2.946	70	20	CFID	
C[C@H]1CCC[C@H](CNC(=O)CNC(=O)CC2CCCC2)C1	160981717	AOCLKJIQNQFLBX-ZFWWWQNUSA-N	294.439	2.625	70	20	CFID	
O=C(CC1CCCCC1)NS(=O)(=O)c1ccsc1	159827655	FJLAKMZXSKHFHS-UHFFFAOYSA-N	287.406	2.523	70	20	CFID	
CC[C@@H](O)CCNC(=O)CCc1cc(C)cc(C)c1	159436048	QORVCFKSXJRRKK-OAHLLOKOSA-N	263.381	2.513	70	20	CFID	
CCC(CC)(CNCCOc1ccccc1)C(=O)OC	159665719	BDXISXZMVXENHM-UHFFFAOYSA-N	279.380	2.634	70	20	CFID	
Cc1cccc2nc(CNC(=O)CCCn3cccc3)cn12	159482328	UCRYDSZERNOIGP-UHFFFAOYSA-N	296.374	2.541	70	20	CFID	
CC(C)c1nc(N[C@H](C)CC2CC2)nc(N(C)C)n1	159729580	FDRCELPCYPKSAC-SNVBAGLBSA-N	263.389	2.662	70	20	CFID	
Cc1cc(NC(=O)C[C@@H](C)c2ccccc2F)c[nH]c1=O	159363424	LQDMYIQRQHKHEW-SNVBAGLBSA-N	288.322	2.955	70	20	CFID	
C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@H]1CCOC1	159378880	KJPABBKZNFSBJQ-MNOVXSKESA-N	282.771	2.831	70	20	CFID	
Cn1cnnc1CN(Cc1ccccc1)CC1CCC1	160847052	GLDROXQJXJQHAF-UHFFFAOYSA-N	270.380	2.617	70	20	CFID	
Cc1cccc(C(=O)NC2CCN(C(C)C)CC2)c1F	161417560	ZWJDCJYIMFQRSI-UHFFFAOYSA-N	278.371	2.737	70	20	CFID	
CCC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)F)cc1	865206678	QNFFEQRWFGBRCZ-LLVKDONJSA-N	287.356	2.653	70	20	CFID	
CNC(=O)CN(C)c1ccc(Oc2ccccc2)cc1	161091711	YGVBLXLCIAFDBG-UHFFFAOYSA-N	270.332	2.661	70	20	CFID	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccnn1C(C)C)CO2	161151426	XRZSFUHEJHEPAN-ZDUSSCGKSA-N	285.347	2.636	70	20	CFID	
CCCCOc1ncccc1CNC(=O)CO[C@@H](C)CC	161314253	RFILJLWUFNRRCG-ZDUSSCGKSA-N	294.395	2.692	70	20	CFID	
CCC(CC)(CO)NC(=O)Nc1ccn(CCC(C)C)n1	161372227	MIDIVSGJLNNJPJ-UHFFFAOYSA-N	296.415	2.602	70	20	CFID	
COCC[C@@H](C)NCCC1CCN(CC(F)(F)F)CC1	160033797	CRDYNGKKXDZFDX-GFCCVEGCSA-N	296.377	2.665	70	20	CFID	
CC[C@@H](NC(=O)CC(F)(F)F)c1c(C)noc1C	160124126	QENAZRLKUBLOAW-MRVPVSSYSA-N	264.247	2.811	70	20	CFID	
CC[C@H](NC(=O)c1ccccn1)c1c(C)noc1C	160381508	XPQZKLWDJIKREP-NSHDSACASA-N	259.309	2.568	70	20	CFID	
CC[C@H](N)C(=O)Nc1cccc(Cl)c1OC(C)C	160922744	IQUBXEHAKRXVFC-JTQLQIEISA-N	270.760	2.803	70	20	CFID	
Cn1cnnc1CSc1ccc(C(F)(F)F)cn1	160996200	YQLSVPUDFNUJCF-UHFFFAOYSA-N	274.271	2.521	70	20	CFID	
CCC[C@](C)(N)C(=O)NC12CC3CC(CC(C3)C1)C2	216830050	KCDJNRAXULELPZ-NTUGICLWSA-N	264.413	2.589	70	20	CFID	
Cc1ccccc1[C@H](C)NCCOC[C@H]1CCCO1	159644427	UEGGNUXHICDCSL-LSDHHAIUSA-N	263.381	2.841	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cccc(F)c1	159782861	DPDNOBYMQBCHSX-UHFFFAOYSA-N	268.332	2.746	70	20	CFID	
Cc1ccc(OCCCN(C)[C@@H](CN)C2CC2)cc1C	160165792	UPSQBRKVRSRBGB-KRWDZBQOSA-N	276.424	2.741	70	20	CFID	
COc1ccccc1CCNC1CCC2(CC1)OCCO2	161223454	YUMXXNMHLHGBCW-UHFFFAOYSA-N	291.391	2.513	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)CCSc2ccc(F)cc2)C1	161373025	LRPLQMSBCAHJRN-QWHCGFSZSA-N	296.411	2.694	70	20	CFID	
c1cc(CNCCCOC[C@H]2CCCO2)c2[nH]ccc2c1	218081789	GTEOVVMOIVIUMI-MRXNPFEDSA-N	288.391	2.843	70	20	CFID	
CCCCc1nc2ccccc2n1CCS(=O)(=O)F	883953376	SMXGQVWPQAJMSI-UHFFFAOYSA-N	284.356	2.678	70	20	CFID	
O=S(=O)(Cl)c1cc(-c2cccc(Cl)c2)no1	521400940	SGSGOKZWHHBGIZ-UHFFFAOYSA-N	278.116	2.923	70	20	CFID	
C1CCN(CCCN2CCC[C@H](N3CCCC3)CC2)CC1	161196913	BQYIRHISFZFLOM-SFHVURJKSA-N	293.499	2.813	70	20	CFID	
Cc1ccc(C)c(-n2ncc(C(=O)NCC3CC3)c2C)c1	161324700	SHPJEZHGLVOYQX-UHFFFAOYSA-N	283.375	2.937	70	20	CFID	
Cc1cccc([C@H]2CCCN2Cc2nc(C3CC3)no2)n1	160456216	NYMKBMOIUWDPCW-CQSZACIVSA-N	284.363	2.988	70	20	CFID	
CCOC(=O)C1(C(=O)Nc2cccc(F)c2C)CCC1	159618656	OJWDSJXEGOIJPV-UHFFFAOYSA-N	279.311	2.806	70	20	CFID	
CCCC[C@H](CC)C(=O)Nc1c[nH]c(=O)c(C)c1	159440514	GJHBBRJXWVPCDD-NSHDSACASA-N	250.342	2.838	70	20	CFID	
CC(C)=CCOc1cccc(C(=O)NC[C@@H](O)C(C)C)c1	159694091	AXOIVYTZGJCODV-MRXNPFEDSA-N	291.391	2.778	70	20	CFID	
O=C(CSc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1CO	217935645	RLHTYIFRWFSRAV-ZWNOBZJWSA-N	299.823	2.709	70	20	CFID	
CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H](CN)C1CC1	159848010	YNYLFMNNCZHYOV-HNNXBMFYSA-N	274.408	2.793	70	20	CFID	
Cc1cccc([C@H]2CCCN2CC(=O)OC(C)(C)C)n1	160021367	LEHBUQRXUXWNTR-CQSZACIVSA-N	276.380	2.869	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1120944717	WEZTWRQLZFVPRF-MFKMUULPSA-N	299.367	2.653	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCCOC1	161189190	QLEYYYXZQLNZSM-MCIONIFRSA-N	253.386	2.840	70	20	CFID	
O=C(Oc1ccc(F)cc1)c1cccc(S(=O)(=O)F)c1	1347809691	NHLJHDNKZUKKAP-UHFFFAOYSA-N	298.266	2.703	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCn1cccn1	161205371	AVONYMVCZNVRFL-STQMWFEESA-N	289.404	2.563	70	20	CFID	
CC(=O)NC1CCC(N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1	161247288	CPJYIPTVLLAMTA-YNBSCITLSA-N	278.440	2.848	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(C)c(C(=O)OC)s1	160116582	LEXLDGXTOZOGIN-SDBXPKJASA-N	282.365	2.613	70	20	CFID	
CC[C@H](NC(=O)C(C)(C)COC)c1c(C)noc1C	160156359	ZFUIRSHUROHQAY-NSHDSACASA-N	268.357	2.531	70	20	CFID	
COc1cccc2c1OCC(C(=O)NCC1(C3CC3)CC1)=C2	160238479	QCEKUAWSEPBAGC-UHFFFAOYSA-N	299.370	2.777	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1	160304170	GTMXZMJPIFSZQR-VXGBXAGGSA-N	295.404	2.625	70	20	CFID	
C[C@H](CO)CNC(=O)C(c1ccccc1)c1ccccc1	160458875	ABKCDIKQDYIIGQ-AWEZNQCLSA-N	283.371	2.563	70	20	CFID	
CC(C)NC(=O)c1ccc(C(=O)N(C)CCC2CC2)cc1	159384306	LRVCSXRETAZCSU-UHFFFAOYSA-N	288.391	2.697	70	20	CFID	
C[C@H]1C[C@@H](NCCc2ncn(C)n2)c2ccsc2S1	217003362	IXDMWHYLHLLUHK-GXSJLCMTSA-N	294.449	2.634	70	20	CFID	
C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(O)cc2O)C1	218211144	YQAVIKUMKFKSCW-GHMZBOCLSA-N	263.337	2.654	70	20	CFID	
CCSCCN1CCO[C@H](c2ccccc2F)C1	160367500	FBVQAJMOADPIIN-AWEZNQCLSA-N	269.385	2.952	70	20	CFID	
CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864244135	MDBDUDFMSWMZJQ-JSGCOSHPSA-N	299.367	2.509	70	20	CFID	
Cc1c(Cl)cc(C(=O)Cl)cc1S(=O)(=O)Cl	159136156	RVFGHZSPZLBLPM-UHFFFAOYSA-N	287.551	2.955	70	20	CFID	
CCOCc1ccc(CNC(=O)c2cccc(F)n2)cc1	161455332	GQEBIZAHAMPMQP-UHFFFAOYSA-N	288.322	2.687	70	20	CFID	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCC(C)(C)N	160001883	PWLUHEOPKTVOMS-OCHBPSSRSA-N	290.407	2.731	70	20	CFID	
CC(C)Oc1cc(CNC(=O)N[C@H]2C=CCCC2)ccn1	160269510	OFEXVIYOWKZFBC-AWEZNQCLSA-N	289.379	2.777	70	20	CFID	
CC1(C)C[C@H](NC(=O)C[C@H]2CCCN2)c2ccccc2O1	160345331	ILQPSGOUJVWETC-OCCSQVGLSA-N	288.391	2.547	70	20	CFID	
C[C@H](N[C@@H](CCCO)c1ccccc1)[C@H]1CCOC1	160720316	CGMAOMZOTHXAQM-BPUTZDHNSA-N	263.381	2.515	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NCc1nccn1C(F)F	159809265	NTBZKPKASIPQNW-VIFPVBQESA-N	274.315	2.512	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N(C)CCCn2ccnc2)c1	159655810	ZXABCQJSGZMVRE-UHFFFAOYSA-N	299.418	2.981	70	20	CFID	
COC(=O)Nc1cccc(C(=O)NCC2(C3CC3)CC2)c1	159885553	LRGSPNUGPNYWAY-UHFFFAOYSA-N	288.347	2.785	70	20	CFID	
NC(=O)c1ccc(CN2CC[C@@H]3CCCC[C@@H]32)cc1	159603783	AFMSZPTWXSPMPR-ZFWWWQNUSA-N	258.365	2.550	70	20	CFID	
CC[C@@H](C)NC(=O)N[C@@H]1CCc2c(OC)cccc21	160278495	NJHOGBOTLNUTBW-ZWNOBZJWSA-N	262.353	2.780	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)CCCc1ccccc1	160678067	ILWPQOQJISHBKR-HNNXBMFYSA-N	263.381	2.533	70	20	CFID	
CCCN(Cc1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1	161091564	QSNDAXOQVQTXNH-INIZCTEOSA-N	295.448	2.703	70	20	CFID	
c1coc([C@@H]2CN(CCCN3CCCCC3)CCO2)c1	161499421	ULQJMEKYEHRBBY-INIZCTEOSA-N	278.396	2.529	70	20	CFID	
CCCN(CCO)Cc1ccc(CSC(F)F)o1	161227423	WUNQFVXDULNVAD-UHFFFAOYSA-N	279.352	2.940	70	20	CFID	
C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)CC[C@H]1C	161243782	WYBPMEXRLDFPEU-GHMZBOCLSA-N	274.368	2.864	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccccn3)c2C)o1	161368434	OLLUJSBYGJMPPV-UHFFFAOYSA-N	282.303	2.934	70	20	CFID	
COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc(OC)c1O	161411811	SJILLBNCOHVYKR-ZYHUDNBSSA-N	293.363	2.718	70	20	CFID	
Cc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)n1	160076981	CSWKWWMOQLOGQR-ZDUSSCGKSA-N	274.364	2.612	70	20	CFID	
CC(C)(N)CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	160123491	GMNSHFLYFZODJV-HZPDHXFCSA-N	282.387	2.797	70	20	CFID	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H](C)CO	160495826	HYCPCYINYXFDMF-GXTWGEPZSA-N	292.423	2.810	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCCN2CCC[C@H](C)C2)C1	160587653	DDTYMFRWJHNQQV-SOUVJXGZSA-N	266.429	2.661	70	20	CFID	
CN(Cc1cccn1C)C(=O)CSc1ccc(F)cc1	160754495	FAKLFBOZMHTBRC-UHFFFAOYSA-N	292.379	2.915	70	20	CFID	
CC(C)c1cc(=O)n(Cc2csc(C(C)C)n2)cn1	160752956	MCFRUKGJVULYDT-UHFFFAOYSA-N	277.393	2.995	70	20	CFID	
CCc1ccc(C(C)(C)CNC(=O)[C@H]2CC[C@H](N)C2)cc1	160867595	GZOPLOCZLXXZPH-HOCLYGCPSA-N	288.435	2.770	70	20	CFID	
COC(=O)C1(NC(=O)C[C@@H]2CCCC(C)(C)C2)CCC1	160993175	IMVHGNGBLMYLEZ-LBPRGKRZSA-N	281.396	2.805	70	20	CFID	
Cc1ccc(CC(=O)N[C@H]2CCOC3(CCCC3)C2)cn1	159605251	LVMNSBXYQSRRRF-HNNXBMFYSA-N	288.391	2.541	70	20	CFID	
CCc1ccc([C@@H](C)CC(=O)NCc2ncc[nH]2)cc1	159863918	WJGHXFRZXIZJSF-LBPRGKRZSA-N	271.364	2.782	70	20	CFID	
CC(C)[C@H](NC(=O)Cn1cc(C2CC2)nn1)c1ccccc1	159894778	QHRWRCWQFVFNQM-KRWDZBQOSA-N	298.390	2.669	70	20	CFID	
CC[C@@](C)(O)CNC(=O)CCc1ccc(Cl)c(OC)c1	159753312	OMKYQTCPIBFYPR-OAHLLOKOSA-N	299.798	2.558	70	20	CFID	
O=S(=O)(Cl)c1ccc(N=S2(=O)CCCC2)cc1	536957834	QMIPDQRBBXQQAJ-UHFFFAOYSA-N	293.797	2.507	70	20	CFID	
CCN(CCNCc1cccc2cc[nH]c12)C1CC1	218180540	MOHZPPUAPAGXRV-UHFFFAOYSA-N	257.381	2.742	70	20	CFID	
Cc1cccc([C@H](C)NC[C@H](O)COCC(C)C)c1	160251513	RCSTXPNXPMEGDC-HOCLYGCPSA-N	265.397	2.679	70	20	CFID	
O=C(NCc1ccc(O)nc1)c1ccc(F)c(Cl)c1	161116463	QUXFGLNMCHFNKO-UHFFFAOYSA-N	280.686	2.510	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C(=O)NC2CC2)cc1	161057730	MUBHPGREAPXWCF-NWDGAFQWSA-N	288.391	2.743	70	20	CFID	
O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@H](O)C1	160064259	CZLKQCGMOQKOHO-NSHDSACASA-N	295.791	2.690	70	20	CFID	
COc1cc(NC(=O)C[C@H](C)[C@H]2CCCNC2)ccc1F	160333159	DVEOVNWBKMQILH-RYUDHWBXSA-N	294.370	2.799	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N[C@@H]2CCCSC2)n1	160397217	AVIWZFXVRMUHDF-GFCCVEGCSA-N	296.440	2.946	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N[C@H](CO)CC(C)C)c1	160633501	CCRVHHAHTBFZDP-INIZCTEOSA-N	277.408	2.759	70	20	CFID	
CCNC(=O)NCC1(c2ccccc2Cl)CC1	160645340	JADOLLHWFASXMQ-UHFFFAOYSA-N	252.745	2.691	70	20	CFID	
O=C([C@H]1CCCNC1)N(Cc1ccc(F)cc1)CC1CC1	160910750	IRSNZVXAXMDLEF-HNNXBMFYSA-N	290.382	2.564	70	20	CFID	
Cc1cnc([C@H](C)NC(=O)NCc2ncccc2F)s1	159407101	WJSQUTCPWZIKDX-VIFPVBQESA-N	294.355	2.546	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1nnc[nH]1	159814404	INEWTYDTUONYAD-UHFFFAOYSA-N	275.699	2.500	70	20	CFID	
CC[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	159908701	SYNZUCHMVDBRII-YOEHRIQHSA-N	290.407	2.737	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)COc1cccc(C(C)=O)c1	159570857	VCUXDFRMXGETTA-CJNGLKHVSA-N	289.375	2.963	70	20	CFID	
CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1	159984845	OWWCZJHOFWVHRV-GDBMZVCRSA-N	276.424	2.883	70	20	CFID	
CC1=CCN(C(=O)Cc2c[nH]c3ccccc23)CC1	160172052	JGZFMHRRHUXCMN-UHFFFAOYSA-N	254.333	2.889	70	20	CFID	
CCC(CC)CNC(=O)N1CCC[C@H](c2ccn[nH]2)C1	160560143	UOGWCVLEFNVQAT-ZDUSSCGKSA-N	278.400	2.735	70	20	CFID	
CC(C)(COc1ccccc1)CS(=O)(=O)Cl	114472442	FJJQETASLBKQLO-UHFFFAOYSA-N	262.758	2.660	70	20	CFID	
CCOC(=O)CSc1nc2cc(C)ccc2o1	217960210	ZUOZNKWDECBYEA-UHFFFAOYSA-N	251.307	2.791	70	20	CFID	
CCCCn1ncc(Nc2c(C)c(C)nc3ncnn23)c1C	161115340	DXRUFJNXTUQZBU-UHFFFAOYSA-N	299.382	2.790	70	20	CFID	
O=C(/C=C/C1CCCCC1)N1CCOC[C@H]1C1CC1	161373637	XLIUOLHFDHLCHD-PPYMECGQSA-N	263.381	2.760	70	20	CFID	
CCOCCC1(CNC(=O)Cc2ccc(O)cc2)CCC1	161438889	MOGBXZHHUBURQB-UHFFFAOYSA-N	291.391	2.648	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1	160245001	KRWHLSLYYQAAQH-GFCCVEGCSA-N	294.826	2.729	70	20	CFID	
Cc1ccc(C(=O)NC[C@H]2CCCN2CC(C)C)cc1	160399600	VFTKPJAYAMKZRQ-MRXNPFEDSA-N	274.408	2.845	70	20	CFID	
O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1	160516117	DSKHRENDCQYFFO-SFHVURJKSA-N	294.398	2.764	70	20	CFID	
CCCC1(CNC(=O)[C@H]2CCC[C@H](C(=O)OC)C2)CC1	160696804	JPPJAHCJPUGPOS-STQMWFEESA-N	281.396	2.662	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@H]1CCN(C2CCCC2)C1	160874563	SJPJKMXIBRZJBL-ZDUSSCGKSA-N	281.444	2.881	70	20	CFID	
c1ccn2c(CN3C[C@H]4CCCC[C@H]4C3)cnc2c1	160982927	TUQAQGGOZZEQAE-OKILXGFUSA-N	255.365	2.956	70	20	CFID	
CCCC[C@H](COC)Nc1nc(C(C)C)nc(N(C)C)n1	159883092	QMOPVWXFYBIDSU-GFCCVEGCSA-N	295.431	2.678	70	20	CFID	
CC[C@H](CC(=O)Nc1nc(C)no1)c1ccc(OC)cc1	159889272	SZNJQNBLQLLTAA-LLVKDONJSA-N	289.335	2.909	70	20	CFID	
CN(C(=O)Cc1cccc2ccccc12)[C@@H](CN)C1CC1	159797865	YMGBEKVOXZEMFZ-KRWDZBQOSA-N	282.387	2.578	70	20	CFID	
COc1cccc(C(=O)Nc2cc(C(C)=O)ccc2O)c1	217392837	FANJWXGKMBFXSL-UHFFFAOYSA-N	285.299	2.856	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cnn(-c2ccccc2)c1	217399126	SCPGOFBAWNDFIN-HNNXBMFYSA-N	286.423	2.692	70	20	CFID	
COc1ccc(C(=O)Nc2cccc(F)n2)c(F)c1	160658616	UBQZZOOPLPNUNH-UHFFFAOYSA-N	264.231	2.621	70	20	CFID	
C[C@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CC=CCC1	1517958754	ZBWRPPIEFLNMEN-AWEZNQCLSA-N	297.351	2.573	70	20	CFID	
C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2F)C1	161152181	UDAVQCUGTZANJZ-GFCCVEGCSA-N	264.344	2.520	70	20	CFID	
CC(C)c1ccc(C(=O)N(C)CCc2ccccn2)cn1	161151274	YTECFMMEKOAAAO-UHFFFAOYSA-N	283.375	2.915	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)C2(N)CCCCC2)cc1	161170990	YRHMZXRREYUIKV-CQSZACIVSA-N	274.408	2.876	70	20	CFID	
NCCCNC(=O)CCCc1csc2ccccc12	160132166	CSBBFXCODKCURT-UHFFFAOYSA-N	276.405	2.689	70	20	CFID	
Cc1cccc(O[C@H](C)C(=O)NCCc2cccc(O)c2)c1	160175991	QVPHBTNGEFVWMV-CQSZACIVSA-N	299.370	2.827	70	20	CFID	
CNC[C@H](C)C(=O)Nc1ccc(OCCC(C)C)cc1	160305284	AAZKZFLYTYQBCU-ZDUSSCGKSA-N	278.396	2.906	70	20	CFID	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CCCCO1	160359088	DVBBBMDLPGHUGG-HNNXBMFYSA-N	299.374	2.997	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)CC(C)(C)c1ccccc1	160686521	JYVAZCMTLKQAFP-OAHLLOKOSA-N	277.408	2.878	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(CCOC)CC(F)F)o1	159635630	VJWXTTRBUMYTAE-VOTSOKGWSA-N	287.306	2.595	70	20	CFID	
CC(C)(C)c1nsc(N2CCO[C@H]3CCCC[C@@H]32)n1	159843377	CIDBNWRYDLLGMR-QWRGUYRKSA-N	281.425	2.983	70	20	CFID	
CCc1nc(CN2CCC[C@@H]2C(C)(C)CC)n[nH]1	159450090	QWHZNBZVZZIHDE-LLVKDONJSA-N	250.390	2.768	70	20	CFID	
COc1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1OC	159388180	BQYYYFKDCKMGBS-LLVKDONJSA-N	296.392	2.673	70	20	CFID	
Cc1nc(C)c(C(=O)OCc2cncs2)s1	159577382	KPFKROLOJZJQOT-UHFFFAOYSA-N	254.336	2.573	70	20	CFID	
COc1cccc(CCN[C@H](C)C(=O)OC(C)(C)C)c1	217768604	FNOSCHFDDKZJQQ-GFCCVEGCSA-N	279.380	2.558	70	20	CFID	
COc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cc1OC	218699210	ZMRYRVDIXHFVKG-STQMWFEESA-N	273.332	2.637	70	20	CFID	
C[C@H](NC[C@@H]1CSCCS1)c1cscn1	161220730	IIOOCJBRGFNQLQ-DTWKUNHWSA-N	260.453	2.642	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1CC=CCC1	460096991	YOEIECWCIHEZMZ-JTQLQIEISA-N	283.324	2.640	70	20	CFID	
CC[C@@]1(C)CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1	1120944719	WHYFTAJTLCCTNW-AWEZNQCLSA-N	299.367	2.607	70	20	CFID	
Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cc1C(N)=O	161025972	UJVSMOOPNQFUJB-JQWIXIFHSA-N	289.379	2.604	70	20	CFID	
Cc1cccn2c(=O)cc(CSCCCF)nc12	161120584	RWSBNVOAEHTSOQ-UHFFFAOYSA-N	266.341	2.596	70	20	CFID	
COCC[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	161146526	ATMWVINNXLKSHG-SJCJKPOMSA-N	291.391	2.924	70	20	CFID	
C1CCN(CCCN2CCC[C@@H](N3CCCC3)CC2)CC1	161197035	BQYIRHISFZFLOM-GOSISDBHSA-N	293.499	2.813	70	20	CFID	
CCOCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1CC	161259240	IMOCLPRLSJPEKG-KFWWJZLASA-N	285.428	2.855	70	20	CFID	
CCCn1c(C)nnc1COc1ccc(C(C)=O)cc1F	161324413	HGGPSBBZXJWXEW-UHFFFAOYSA-N	291.326	2.917	70	20	CFID	
CCN(C)C(=O)c1cccc(OCc2nccs2)c1	161351384	JUOLYKXSRVXPGW-UHFFFAOYSA-N	276.361	2.814	70	20	CFID	
CCOC(=O)c1cccnc1N[C@@H]1CCO[C@H](C2CC2)C1	160451992	DEFDFRRMZVDXRT-OCCSQVGLSA-N	290.363	2.628	70	20	CFID	
Cc1ccc(F)c(NC(=O)CCC(=O)NC2CCCC2)c1	160631691	XWAWZWQPJKYLIE-UHFFFAOYSA-N	292.354	2.912	70	20	CFID	
CCOC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1sccc1C	160667044	IMAUJZFIHFVYMJ-RYUDHWBXSA-N	295.404	2.620	70	20	CFID	
COC[C@@H](NCCCCc1nc(C)cs1)C1CC1	160725256	BEUMQXKDFGUEIZ-CYBMUJFWSA-N	268.426	2.789	70	20	CFID	
COc1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1F	160829097	LZJLUYOGIHJYIA-UHFFFAOYSA-N	292.354	2.920	70	20	CFID	
COC[C@H](N[C@H](CCCO)c1ccccc1)C1CC1	160916565	SBGSJQOSERMLAM-CVEARBPZSA-N	263.381	2.515	70	20	CFID	
CCC[C@H](NCC(=O)NC(C)C)C1CCCCC1	160965670	VREVKDICCPGNTC-AWEZNQCLSA-N	254.418	2.850	70	20	CFID	
CCN(CC)C(=O)Nc1ccn(CCC(C)C)n1	159824797	TTXLRCDYVRKQTP-UHFFFAOYSA-N	252.362	2.803	70	20	CFID	
C/C=C/C=C/C(=O)NC[C@H]1[C@H]2Cc3ccccc3[C@H]12	159899403	YGVNNKNKEMKYOF-YUFFJDNJSA-N	253.345	2.821	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N1CCCN(CC)CC1	159507366	IWAOJGCUDSMZEM-HNNXBMFYSA-N	283.460	2.940	70	20	CFID	
CSc1ccccc1NC(=O)N[C@H]1CC[C@H](O)CC1	159966875	DJDXSAPFYKXQQJ-PHIMTYICSA-N	280.393	2.834	70	20	CFID	
c1cc(CN[C@H]2CCN3CCCC[C@@H]23)c2cc[nH]c2c1	218109882	PPHKIJKQBNDNEO-IRXDYDNUSA-N	269.392	2.884	70	20	CFID	
CC(C)(C)OCC1(CS(=O)(=O)Cl)CCCC1	114474179	BJENHIYJPKRYPR-UHFFFAOYSA-N	268.806	2.931	70	20	CFID	
CCC[C@H](C(=O)Nc1cncnc1N(C)C)C(C)C	160656575	PZXMZMJCCKKGIY-NSHDSACASA-N	264.373	2.553	70	20	CFID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCCO3)c2C)o1	161091614	OIIZJUKXADGQQR-GFCCVEGCSA-N	289.335	2.794	70	20	CFID	
CCCN(CCO)Cc1ccccc1OC(F)(F)F	161228302	VAKTZWBWUDREAC-UHFFFAOYSA-N	277.286	2.790	70	20	CFID	
O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1CCCCO1	160116054	VVCWWVXTPQCHOL-IAGOWNOFSA-N	296.370	2.856	70	20	CFID	
O=C(NCCc1cccc(O)c1)[C@H]1C[C@H]1c1ccc(F)cc1	160137597	XIKREGRAHQAMMO-IRXDYDNUSA-N	299.345	2.994	70	20	CFID	
Cc1cnn(CCC(=O)N[C@H]2CCCc3sccc32)c1	160255185	RMBCGWBPPXNPMY-ZDUSSCGKSA-N	289.404	2.837	70	20	CFID	
Cc1ccc(CCCCC(=O)N(C)[C@H](C)CO)cc1	160413444	YMHBCMVQSAEBJW-CQSZACIVSA-N	263.381	2.547	70	20	CFID	
O=C(NCC1(C2CC2)CCC1)N[C@@H]1CCC[C@H]2OCC[C@@H]12	160433348	PXKGPAIOIAMBNG-RRFJBIMHSA-N	292.423	2.824	70	20	CFID	
CCO[C@@H](CC)C(=O)N[C@@H](CC)c1c(C)noc1C	160459100	UKMCGHVCHCLFOF-RYUDHWBXSA-N	268.357	2.674	70	20	CFID	
CCc1ccc([C@@H](NCc2nncn2C)C(C)C)cc1	160710570	JOFUTNOGUPLYQH-INIZCTEOSA-N	272.396	2.864	70	20	CFID	
COc1ccc2c(c1)C=C(C(=O)NCC1(C3CC3)CC1)CO2	159812260	WYMOYXBJFCPTAW-UHFFFAOYSA-N	299.370	2.777	70	20	CFID	
CC(C)CCN(C(=O)N[C@H]1CCOC1)C1CCCC1	159455092	HMAMIUCEEAIAMA-ZDUSSCGKSA-N	268.401	2.776	70	20	CFID	
CC(C)(CNC(=O)[C@@H](N)C(C)(C)C)c1cccc(F)c1	159705348	VEGMWPAMBVJMDW-CYBMUJFWSA-N	280.387	2.593	70	20	CFID	
CC(C)CCn1ccc(N[C@@H](C(N)=O)c2ccccc2)n1	159906475	YKWKSIJTVNWDTL-OAHLLOKOSA-N	286.379	2.568	70	20	CFID	
C[C@H]1CCC[C@H](N(C)C(=O)CNC(=O)CC2CCCC2)C1	159909901	WEWBNLZCLXPRLW-ZFWWWQNUSA-N	294.439	2.720	70	20	CFID	
COC[C@@H](NC(=O)Nc1cccc(Cl)c1OC)C1CC1	159520982	JECMYZBJUIBWRG-GFCCVEGCSA-N	298.770	2.895	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1cccc2[nH]ccc12	218185117	HYKWLBOINMIIFY-CYBMUJFWSA-N	259.397	2.988	70	20	CFID	
CC(C)Oc1cccc(CN(C)[C@@H](CN)C2CC2)c1	159697363	VANVWQONBJQARC-INIZCTEOSA-N	262.397	2.643	70	20	CFID	
CC(C)S(=O)(=O)CCCN1CCC[C@@H]1C1CCCC1	160968143	IIZULWJSHRIUFP-OAHLLOKOSA-N	287.469	2.854	70	20	CFID	
CCO[C@@H]1C[C@@H](NCc2cc(OC)ccc2OC)C1(C)C	217893675	NTRVHCLJYIFGES-HZPDHXFCSA-N	293.407	2.997	70	20	CFID	
CCOCCCNC(=O)NCc1cccc(Cl)c1	217314836	BGWXTNSYCCOHNS-UHFFFAOYSA-N	270.760	2.566	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1	161129261	BLUWUJLYKSFTQZ-IRXDYDNUSA-N	282.387	2.768	70	20	CFID	
c1ccc(N[C@@H]2CCN(CCOCC3CC3)C2)cc1	160277695	RGAWVLYJKBGUBQ-MRXNPFEDSA-N	260.381	2.599	70	20	CFID	
CC(C)(F)C(=O)N1CCC[C@H](Nc2ccccc2)C1	160306758	MYFWOQCXONLWEE-ZDUSSCGKSA-N	264.344	2.838	70	20	CFID	
CC[C@H]1COCCN1C(=O)C1CCC(C)(C)CC1	160451266	YIMORJLUHWFDNY-ZDUSSCGKSA-N	253.386	2.840	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H]1CCc2ccccc21	160555503	XNYWCTIOWSSMTI-GXTWGEPZSA-N	289.375	2.564	70	20	CFID	
CCN(Cc1ccoc1)C(=O)c1ccnn1C(C)C	160645311	CDEOPHLTNHZTMY-UHFFFAOYSA-N	261.325	2.719	70	20	CFID	
C[C@H](C(=O)N1CCCNCC1)c1ccc2ccccc2c1	160871261	OYOFMBMZIZKFIE-AWEZNQCLSA-N	282.387	2.765	70	20	CFID	
CSCC[C@@H](N)C(=O)N[C@@H](C)CCC1CCCCC1	160916015	IMIZHPGMFKFWRM-GXTWGEPZSA-N	286.485	2.932	70	20	CFID	
CCC[C@H](CCO)CNC(=O)Nc1ccnc(C)c1Cl	159643294	MRWZITQYHVZAFH-LLVKDONJSA-N	299.802	2.964	70	20	CFID	
CCc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159471778	YMBQIXLVWUYZBP-UHFFFAOYSA-N	286.375	2.590	70	20	CFID	
C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCc3ccccc32)C1	159679230	ORUQONNIBDQCSW-NVXWUHKLSA-N	288.391	2.620	70	20	CFID	
CCN1CCCN(C(=O)N[C@H](C)c2ccccc2C)CC1	159505006	XIBFIEIWFBMRKI-OAHLLOKOSA-N	289.423	2.793	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](CCO)C(C)C)c1C	159942682	BGDMLEDQPWUGMI-CYBMUJFWSA-N	296.415	2.520	70	20	CFID	
Cc1ccc(C(=O)N2CCN(c3cccc(C)n3)CC2)cc1	159553000	HVJGIQZPNUHYMA-UHFFFAOYSA-N	295.386	2.661	70	20	CFID	
Cc1cc(C)c(NC(=O)[C@@H](C)N(C)C[C@@H](C)O)c(Cl)c1	159565611	WBQUCSRBZXAFRY-VXGBXAGGSA-N	298.814	2.596	70	20	CFID	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)(C)N	159953761	FXFJMTIVTSWSGQ-VIFPVBQESA-N	286.828	2.674	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1C[C@H]1CC=CCC1	161250185	ZTDGIFVAOODPKX-UONOGXRCSA-N	251.370	2.760	70	20	CFID	
Cc1ncc([C@@H](C)N[C@@H]2CCC[C@H](N(C)C)C2)c(C)n1	161050169	RQGJJSSYRWPINS-YUELXQCFSA-N	276.428	2.617	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)NC[C@H]1CCOC1	161105181	IMKYSSFCVNYEDI-CHWSQXEVSA-N	253.386	2.746	70	20	CFID	
COc1ccc(CC[C@@H](C)NCc2cnn(C)c2C)cc1	161268824	GOWOGVYBTISHKD-CYBMUJFWSA-N	287.407	2.848	70	20	CFID	
CC[C@@H](Cc1ccc(C)cc1)N(C)CC(OC)OC	161281250	OXVWPBOJGLBHJO-HNNXBMFYSA-N	265.397	2.867	70	20	CFID	
CCNC(=O)C(C)(C)CNc1cc(C(F)(F)F)ccn1	161339000	JSPXJJKYFPPVEG-UHFFFAOYSA-N	289.301	2.675	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N[C@H](CCO)C(C)(C)C)o1	161343647	OJAPBRQMYIVAGA-DGCLKSJQSA-N	282.384	2.745	70	20	CFID	
CC(C)NCCC(=O)N1CCC[C@](C)(c2ccccc2)C1	160103493	VMHJQYKBKUHEBP-SFHVURJKSA-N	288.435	2.955	70	20	CFID	
CN1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1	160107187	RJRPEPVHYDWBMH-CQSZACIVSA-N	266.429	2.661	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)c1ccccc1	160212697	BUTJOXGSWHHKBC-QWHCGFSZSA-N	277.364	2.638	70	20	CFID	
C[C@H](NCCN1CCC(N(C)C)CC1)c1cccc(F)c1	160258917	UDPITPOKJIJRKU-AWEZNQCLSA-N	293.430	2.502	70	20	CFID	
CCOCCC1(CNC(=O)N[C@@H]2C=CCCC2)CC1	160268209	CXBFSXUWLMIWBB-CYBMUJFWSA-N	266.385	2.601	70	20	CFID	
CCc1nc(CN[C@H]2C[C@H](C)CC[C@@H]2C(C)C)n[nH]1	160545471	MSMQTEBSCDJIQB-UPJWGTAASA-N	264.417	2.918	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCc1cc(F)ccc1F	160795069	VAFKGKAKIZJWBC-UHFFFAOYSA-N	292.329	2.895	70	20	CFID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)Cc1ccco1	160832274	HHIDQPBWNCZORF-JTQLQIEISA-N	275.352	2.772	70	20	CFID	
O=C(Nc1cccc(NC(=O)[C@H]2CCCCO2)c1)C1CC1	160871533	VJVXLFYCRLENLB-CQSZACIVSA-N	288.347	2.543	70	20	CFID	
COc1cccc(CSCCCCS(C)(=O)=O)c1	160905643	KSBCAPHEHNEZSR-UHFFFAOYSA-N	288.434	2.753	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2	159745242	WYLAYFJFGISVQZ-SMDDNHRTSA-N	288.391	2.562	70	20	CFID	
CCN1CCCC[C@@H]1CNC(=O)CCC(C)(C)C	159765333	YQLNXBRPKLVDKB-CYBMUJFWSA-N	254.418	2.803	70	20	CFID	
CCc1noc(C)c1CNc1ccccc1C(=O)N(C)C	159383936	QANGARXDIOBQPE-UHFFFAOYSA-N	287.363	2.859	70	20	CFID	
CCc1noc(C)c1CNc1cccc(C(=O)NC)c1C	159396939	IXZKWGRBHZGVBP-UHFFFAOYSA-N	287.363	2.826	70	20	CFID	
CCSCC[C@@H](C)NC[C@H](O)COc1cccc(C)c1	160139735	QRBJPPJTHHBHJW-CABCVRRESA-N	297.464	2.856	70	20	CFID	
CCc1noc([C@@H](C)N(CC)Cc2ccccn2)n1	161058214	IGWPIBIGXBUSGR-LLVKDONJSA-N	260.341	2.610	70	20	CFID	
CC(C)NC(=O)CN[C@@H](C)c1cccc(-c2ccncc2)c1	161005151	QPDRMJXPRVXPSI-AWEZNQCLSA-N	297.402	2.924	70	20	CFID	
CC(C)CN1CCC[C@@H](CNc2ccc3nccnc3n2)C1	161314532	FKOBTVQKXLHSSF-AWEZNQCLSA-N	299.422	2.805	70	20	CFID	
COc1cccc(CCCSCCN2CCOCC2)c1	160035345	OMYZDHBLSANIIZ-UHFFFAOYSA-N	295.448	2.693	70	20	CFID	
CCCCn1ncc(NC(=O)NCc2ccccn2)c1C	160116792	FJWYPHMQISFYSY-UHFFFAOYSA-N	287.367	2.708	70	20	CFID	
O=C(CCCOc1cccnc1)NCC1(C2CC2)CC1	160168484	KEGBASQJQQYIRQ-UHFFFAOYSA-N	274.364	2.547	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1	160423922	SATDZYZFCXXVHA-MRXNPFEDSA-N	292.398	2.605	70	20	CFID	
CCC(N)(CC)CNC(=O)C1(c2ccc(F)cc2)CCC1	160529413	XDQTTWPLBHBNHS-UHFFFAOYSA-N	292.398	2.881	70	20	CFID	
CS[C@H](C)CC(=O)N1CCCN(c2ccccc2)CC1	160573871	XKEZELGKENVGIH-CQSZACIVSA-N	292.448	2.867	70	20	CFID	
CC(C)n1cc([C@H](C)NC[C@H]2CCCC[C@@H]2O)cn1	160621985	WLCGBAWUJVQHCL-GUTXKFCHSA-N	265.401	2.666	70	20	CFID	
Cc1cc(-c2nc([C@H]3CCOC3)no2)cc(C)c1F	160890349	HCDQHYMMKMPFMR-JTQLQIEISA-N	262.284	2.996	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cncnc1C	160932133	VRTPLVDRDUWLDK-JSGCOSHPSA-N	261.369	2.826	70	20	CFID	
C[C@H](N[C@H](CCO)c1ccccc1)c1cncs1	160997706	VIXXPPOEZUYDGL-WCQYABFASA-N	262.378	2.917	70	20	CFID	
COc1cccc([C@H](CNC(=O)C2=CCCC2)N(C)C)c1	159649128	QLBMVDLZERXARA-INIZCTEOSA-N	288.391	2.524	70	20	CFID	
CN1CCC[C@@H](CN(C)c2nc(C(C)(C)C)ns2)C1	159508373	NAEJDMPQUQRPLH-LLVKDONJSA-N	282.457	2.614	70	20	CFID	
CCc1noc(C)c1CNc1cccc(C(=O)NC)c1	159362698	IYBNMLULJJQABA-UHFFFAOYSA-N	273.336	2.517	70	20	CFID	
CC(=O)C[C@@H](C)NC(=O)CCC(=O)c1ccc(Cl)cc1	159965490	FYQYZYGUBGKLBG-SNVBAGLBSA-N	295.766	2.787	70	20	CFID	
Cc1nc(C)c(-c2nc(-c3ccc(O)cc3)no2)o1	159478706	OVGQKGFRYRSKQC-UHFFFAOYSA-N	257.249	2.714	70	20	CFID	
CC(C)C(=O)N1CCOc2ccc(Br)cc21	217246239	GBMHKLDQYRRPRX-UHFFFAOYSA-N	284.153	2.831	70	20	CFID	
CCOCCSCc1ccc(C(=O)OC)s1	159914533	MRBWTOWHIOKZSH-UHFFFAOYSA-N	260.380	2.804	70	20	CFID	
CCCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1	460090698	IFFFFTJQUJVOIJ-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
O=C(/C=C\c1ccco1)Nc1ccc(S(=O)(=O)F)cc1	588468301	SHNLJLXYZBNNRE-YVMONPNESA-N	295.291	2.590	70	20	CFID	
CC(C)(C)CCN[C@H](CC(N)=O)C1CCCCC1	159752981	QFCVGZYAGZFHKA-CYBMUJFWSA-N	254.418	2.837	70	20	CFID	
CC(C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)Cl)s1	100594512	KXJYCPFXJIVHEF-SSDOTTSWSA-N	295.813	2.509	70	20	CFID	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C)(O)CC2)o1	161280133	YHZJUDYNEQWOCN-OCCSQVGLSA-N	291.391	2.709	70	20	CFID	
COCCCCC(=O)N1CCC[C@@H]1c1ccc(COC)o1	161297729	UBILGDYBEZSFER-CQSZACIVSA-N	295.379	2.906	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)COC[C@@H]1CCCO1	161306438	XIYXSIXYSRCBBQ-ILXRZTDVSA-N	283.412	2.609	70	20	CFID	
COc1cc(F)c(C(=O)N(C)Cc2ccco2)cc1OC	161410942	PRGMBPUQJIMHJQ-UHFFFAOYSA-N	293.294	2.708	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)c2cnc3c(c2)ncn3C)cc1	160076439	ZCKKFRBUYJBJAM-GFCCVEGCSA-N	294.358	2.768	70	20	CFID	
C[C@@H](C(=O)N1CC[C@@H](N)C1)c1ccc2ccccc2c1	160310044	CNSNUUXOKOFJOB-MLGOLLRUSA-N	268.360	2.503	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)c1ccccc1C	160325078	WYEICDJUIAFQMY-UONOGXRCSA-N	291.391	2.947	70	20	CFID	
Cc1ccc2nc(NC(=O)[C@H]3OCC[C@H]3C)sc2c1	160565418	TWEBJYSVGPMWTA-SKDRFNHKSA-N	276.361	2.968	70	20	CFID	
CCN(CC)C(=O)C[C@H](C)NC[C@H]1CCc2ccccc21	160997575	CKXYXWFNZGWDRB-GOEBONIOSA-N	288.435	2.953	70	20	CFID	
CC[C@@H](COC)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1	159612178	HRABSWQEOAQVOY-JSGCOSHPSA-N	299.436	2.556	70	20	CFID	
CCCCOCCNC(=O)Nc1ccn(CCC(C)C)n1	159616985	ANYWPJVYNXTPJO-UHFFFAOYSA-N	296.415	2.867	70	20	CFID	
O=C(NC[C@H]1CCCS1)N1CCc2cccc(F)c2C1	159905225	BAVYXHZVGDYNRK-GFCCVEGCSA-N	294.395	2.789	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnc2n[nH]c(C)c2c1	159520424	QHKXWVPKHJTDMF-GXFFZTMASA-N	272.352	2.575	70	20	CFID	
CCOCCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	159537175	RWNQZCRBISLJTO-GDBMZVCRSA-N	291.391	2.697	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H]1CCCc2occc21	159741392	UIBJKZHPCJUVLZ-SCDSUCTJSA-N	275.348	2.779	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)c2ccc(O)cc2O)s1	218210238	GZSOJTXCEXUUCL-SECBINFHSA-N	277.345	2.959	70	20	CFID	
CC[C@@H]1CCC[C@@H](OCCS(=O)(=O)Cl)C1	112430550	VSBPTTQHAHAKFH-NXEZZACHSA-N	254.779	2.540	70	20	CFID	
Cc1cc(CN2CC[C@H](O)[C@H](C)C2)c2ccccc2n1	159397898	FRVRENSSHHKMOF-PXAZEXFGSA-N	270.376	2.746	70	20	CFID	
CC[C@@H](CCO)NC(=O)C1(c2cccc(C)c2)CCC1	160097054	SHBZJJCWGYTICY-HNNXBMFYSA-N	275.392	2.694	70	20	CFID	
O=C(NCCCCCO)Nc1c(F)cccc1Cl	217313206	IHBGVUOYVQAWRJ-UHFFFAOYSA-N	274.723	2.763	70	20	CFID	
Cc1cccc(C(=O)Nc2nncs2)c1Br	160242310	RSJPSXQNDNQPMK-UHFFFAOYSA-N	298.165	2.861	70	20	CFID	
Cc1cc(NC(=O)c2cc(F)cc3cccnc23)n(C)n1	161045199	HRPWNQPBCWSNDI-UHFFFAOYSA-N	284.294	2.668	70	20	CFID	
COc1cc(F)cc(NC(=O)c2ccnc(F)c2)c1	161091860	YCTSMHODUIWKGN-UHFFFAOYSA-N	264.231	2.621	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cscn2)o1	161301778	MQUPIVSTBAXQSZ-LBPRGKRZSA-N	292.360	2.860	70	20	CFID	
Fc1cccc(F)c1CCNC1CCC2(CC1)OCCO2	161315366	PBVNHDRHRFOFMQ-UHFFFAOYSA-N	297.345	2.783	70	20	CFID	
CCCCCNC(=O)CN1CCC[C@@H]1c1cccc(C)n1	160017532	IYXZSZLWSLBRBZ-MRXNPFEDSA-N	289.423	2.833	70	20	CFID	
CCCc1nnc(NC(=O)Cc2nc(C)sc2C)s1	160099631	BQARDJITMYORJF-UHFFFAOYSA-N	296.421	2.745	70	20	CFID	
C[C@@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1cc2ccccc2o1	160220573	LCILLHOUBKSSNI-YUELXQCFSA-N	298.386	2.889	70	20	CFID	
CCc1ccsc1C(=O)NCCc1cccc(O)c1	160235852	GPZPSPNMBTWHIF-UHFFFAOYSA-N	275.373	2.989	70	20	CFID	
O=C(CC[C@@H]1CCCO1)N[C@H]1CCOC2(CCCCC2)C1	160325009	ZXJUMOKLDLJTMI-GJZGRUSLSA-N	295.423	2.944	70	20	CFID	
O=C(N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCCO1	160429783	AQNFKLAXNGVHDS-LSDHHAIUSA-N	259.349	2.823	70	20	CFID	
CCc1ccc(/C=C/C(=O)NC[C@@H](C)C(=O)OC(C)C)o1	160549750	YJCYUFMKKVUKNT-IDVQTMNDSA-N	293.363	2.559	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@@H]1Cc1ccccc1	160605477	VMQKUSAGIYGEQA-CVEARBPZSA-N	273.376	2.789	70	20	CFID	
C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(F)n2)O1	160717882	ONTYTMSRCROYJM-ZJUUUORDSA-N	252.289	2.507	70	20	CFID	
C[C@H](CCC1CCCCC1)NC(=O)[C@H]1CCCNC1	160915851	XFQIDMDIIQYVQH-HIFRSBDPSA-N	266.429	2.851	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1	159656809	ZQSUNXSPYFHRLC-CMZRPVNOSA-N	286.419	2.588	70	20	CFID	
Cc1nccc(NC(=O)NCc2ncccc2F)c1Cl	159672418	WISKKSYLWYKYSD-UHFFFAOYSA-N	294.717	2.899	70	20	CFID	
CO[C@H](C)CC(=O)N[C@H]1CCCc2sccc21	159902898	CGERZMXYEFCRAE-KOLCDFICSA-N	253.367	2.667	70	20	CFID	
O=C1C[C@H](C(=O)Nc2ccccc2-c2ccccc2)CCN1	159955405	HJCOEYDCUFGNEQ-CQSZACIVSA-N	294.354	2.818	70	20	CFID	
CCc1noc([C@H](C)N(C)OCc2ccccc2)n1	159631898	MRXTYDCNPPWZHU-NSHDSACASA-N	261.325	2.757	70	20	CFID	
CNC(=O)[C@H](CC(C)C)NCc1ccc(Cl)cc1F	160763770	USUNBTCYMCREIP-ZDUSSCGKSA-N	286.778	2.729	70	20	CFID	
CC(C)n1nccc1C(=O)Nc1ccnn1[C@H](C)C1CC1	161423237	HIQXSGGHNWCMLI-LLVKDONJSA-N	287.367	2.884	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)CCSC)c1C	160017342	MZYOASXEWYZPOW-UHFFFAOYSA-N	284.429	2.818	70	20	CFID	
CN1CC[C@H]2[C@@H](CCCN2c2nc(C(C)(C)C)ns2)C1	160022717	RBBFRPDLTRZEKN-RYUDHWBXSA-N	294.468	2.756	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)c1ccccc1C(=O)OC	160409795	YHYYLLIEGDNROA-LRDDRELGSA-N	275.348	2.872	70	20	CFID	
C[C@@H](CC1CC1)NC(=O)NCCOc1ncccc1Cl	160411140	BQEMVHRLDFAELO-JTQLQIEISA-N	297.786	2.602	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)CC1(O)CCCC1	160692378	GXJXFSCPJMUMKJ-LLVKDONJSA-N	295.404	2.521	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)Nc2c(C)n[nH]c2C)on1	160798579	VTMFSWZKZAJOCZ-SSDOTTSWSA-N	262.313	2.780	70	20	CFID	
CCc1ncsc1NC(=O)C1=C(C)OCCC1	160984534	OQWCKLPWRMBKMV-UHFFFAOYSA-N	252.339	2.728	70	20	CFID	
CCc1nnc(NC(=O)c2ccc(C(C)C)nc2)s1	159606669	ZNSYILUQZNRCLV-UHFFFAOYSA-N	276.365	2.871	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCCC(=O)N(CC)CC	159806307	KGBOOYIYPQIEMA-KGLIPLIRSA-N	282.428	2.720	70	20	CFID	
C[C@H](CC(=O)NCC(F)F)c1ccc(F)cc1F	159415119	ZNWLOJLDNGPUQC-SSDOTTSWSA-N	263.234	2.840	70	20	CFID	
Cc1ccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)cc1C	159632465	LCJHJZZGGFTTRK-ZDUSSCGKSA-N	286.379	2.784	70	20	CFID	
CN(C)[C@@H](CNC(=O)C1=CCCC1)c1cccc(F)c1	159641603	JKBKNKFSHQGVEB-HNNXBMFYSA-N	276.355	2.655	70	20	CFID	
C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@](C)(O)C1	159667416	BEHJKANPFNRWKS-RHSMWYFYSA-N	290.407	2.564	70	20	CFID	
CC(C)OC(=O)[C@H](C)CNc1nc(C(C)(C)C)ns1	159733364	ZUXTVGQZXISKRO-SECBINFHSA-N	285.413	2.835	70	20	CFID	
Cc1csc(N2CCC(N[C@@H]3CCCSC3)CC2)n1	159547045	CFQJLDMLBSJXFT-CYBMUJFWSA-N	297.493	2.906	70	20	CFID	
COc1ccc(NC(=O)C[C@H](C)SC)cc1F	159955033	AHCBTTSWAFLKAE-QMMMGPOBSA-N	257.330	2.914	70	20	CFID	
CC1(C)C[C@H](NC(=S)Nc2ccccc2)CCO1	159589559	WOXDUZZZGLXCJS-GFCCVEGCSA-N	264.394	2.931	70	20	CFID	
Cc1oc2ccccc2c1CN1C[C@@H](C(N)=O)CC[C@@H]1C	159597210	PVZLWOLTHJSFTR-AAEUAGOBSA-N	286.375	2.827	70	20	CFID	
CC[C@H](CCO)NC(=O)c1cc2ccc(F)cc2s1	160119913	ALZFIXMOVHGISD-LLVKDONJSA-N	281.352	2.931	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C12CCC(CC1)C2	460094042	QQKQTIPJSWSJCY-UHFFFAOYSA-N	297.351	2.864	70	20	CFID	
COc1ccc(C(F)F)cc1S(=O)(=O)Cl	218244846	CCCKJOQHYVOEJO-UHFFFAOYSA-N	256.657	2.560	70	20	CFID	
C[C@H](NC(=O)Cc1ccc(O)cc1Cl)c1ccccn1	161122927	LNYIOQNUMKRUPU-JTQLQIEISA-N	290.750	2.861	70	20	CFID	
CCOc1ccc(S(=O)(=O)Cc2nccs2)cc1	161144247	LVZXKKSLFRMPGO-UHFFFAOYSA-N	283.374	2.516	70	20	CFID	
CC(=O)NC1CCC(NCC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	161369805	MKRDAUCISFWAAX-HQOAGVKLSA-N	278.440	2.850	70	20	CFID	
CCN(Cc1ccoc1)C(=O)NCCCC(=O)OC(C)C	160110650	NAPSVJNHFBQMCL-UHFFFAOYSA-N	296.367	2.543	70	20	CFID	
CCCC1(CNC(=O)NCc2cccnc2OC)CCC1	160123130	VWHXWDJIAOSVBE-UHFFFAOYSA-N	291.395	2.860	70	20	CFID	
Cc1cc(C(=O)NC[C@H]2CCCN2CC(C)C)c(C)o1	160486328	IVAPWTHIYXTIIJ-CQSZACIVSA-N	278.396	2.747	70	20	CFID	
Cc1cc(C(=O)NCCCC(=O)OC(C)C)cc(Cl)n1	160579630	XRPBVSFKMAAULD-UHFFFAOYSA-N	298.770	2.505	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N[C@H](C)C2CC2)n1	160655575	WUSHTRRYJDJPAW-LLVKDONJSA-N	264.373	2.849	70	20	CFID	
CCC[C@@H]1CN(C(=O)NCCCOC2CCCC2)CCO1	160796058	UGTJINQPONZHMT-OAHLLOKOSA-N	298.427	2.546	70	20	CFID	
Cc1ccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c(C)c1	159622204	HPBUMJYQFJMNTL-CYBMUJFWSA-N	286.379	2.784	70	20	CFID	
C[C@@H](CC(=O)N(C)c1ccccc1)N[C@H]1CCCSC1	159636186	FSIJLUPVAQKCRQ-KBPBESRZSA-N	292.448	2.913	70	20	CFID	
Cc1cc(C)cc(CCN[C@H](C)c2cnccn2)c1	159476024	ZJIYGJYTPVSTDE-CQSZACIVSA-N	255.365	2.987	70	20	CFID	
CCCSCC(=O)N(C)c1ccc(OC)c(F)c1	159394690	KUYIWFHEIGWFEV-UHFFFAOYSA-N	271.357	2.940	70	20	CFID	
Cc1nc2ccccn2c1CN1CCS[C@H](C)C1	159796047	XNFYLAJDIIHZDZ-LLVKDONJSA-N	261.394	2.580	70	20	CFID	
COC(=O)c1occc1CNc1ccc(F)c(OC)c1	160096841	MYXZZWNOJQJSRN-UHFFFAOYSA-N	279.267	2.826	70	20	CFID	
CN(Cc1ccccc1Br)Cc1ccnn1C	160383536	XDIFZIDFJUJQTQ-UHFFFAOYSA-N	294.196	2.815	70	20	CFID	
COCc1ccc(CN[C@@H]2CCOC(C)(C)C2)cc1	160545077	VJBCXZXUCGRKFP-OAHLLOKOSA-N	263.381	2.880	70	20	CFID	
COC(=O)c1ccc(N[C@@H]2CCOC(C)(C)C2)nc1C	160850465	LQHIIBRKEUGUJU-LLVKDONJSA-N	278.352	2.546	70	20	CFID	
CC(C)(C(=O)Nc1cccc(S(=O)(=O)F)c1)C1CC1	460087337	ALAZZQWHAJRIMW-UHFFFAOYSA-N	285.340	2.720	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H](C)c2cnn(C)c2)C1	161017401	FCWBPRUTWPYIRH-GJZGRUSLSA-N	292.471	2.971	70	20	CFID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1ccc2c(c1)OCO2	161208937	UDPKPDUOBDFZNS-DZGCQCFKSA-N	290.407	2.940	70	20	CFID	
COc1ncccc1CNC(=O)c1nc2ccccc2s1	161409083	ZLZLTZVFKVXTSR-UHFFFAOYSA-N	299.355	2.630	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@H](COC)Cc1ccccc1	160107533	UZMBQZSYZSAOMR-WBVHZDCISA-N	278.440	2.564	70	20	CFID	
C/C(=C\c1ccccc1Cl)C(=O)NC1CCN(C)CC1	160243466	MYHLKDMXOPFFIF-VAWYXSNFSA-N	292.810	2.954	70	20	CFID	
CCc1ccc(CNC(=O)N2CCO[C@H](C)[C@H]2C)s1	160473697	RGQOREMAYGOBRW-GHMZBOCLSA-N	282.409	2.629	70	20	CFID	
O=C(NCC1(c2ccccc2Cl)CC1)NC1CC1	160640475	ISCFBCAJYVBBHG-UHFFFAOYSA-N	264.756	2.833	70	20	CFID	
Cc1nccn1CCCN(C)C(=O)Nc1ccccc1	160899631	JSXUGSBLJOXBGX-UHFFFAOYSA-N	272.352	2.746	70	20	CFID	
CCCCCOCC(=O)N1CCc2c(F)cccc2C1	160924601	FICBLOGQGUIYQE-UHFFFAOYSA-N	279.355	2.917	70	20	CFID	
O=C(Cc1ccc(O)cc1Cl)N1C[C@H]2CCC[C@H]2C1	159419769	POJZCCSNOMUQBX-TXEJJXNPSA-N	279.767	2.847	70	20	CFID	
CC1(C)C[C@H](NC(=O)N2CCCCCC2)CCO1	159867862	UBKGOKSSMMAMDH-GFCCVEGCSA-N	254.374	2.530	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@H](C)c1ccco1	159912093	WLEQJXOXZDCICJ-SECBINFHSA-N	282.727	2.992	70	20	CFID	
O=C(NC(c1cccs1)c1cccs1)[C@H]1CCNC1	159928588	ACILUNGRDXZRLP-JTQLQIEISA-N	292.429	2.625	70	20	CFID	
CSC[C@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159759376	FFTOQXYYKZULQW-NWDGAFQWSA-N	271.426	2.594	70	20	CFID	
Cc1ccc(NCc2nnc3n2CCCC3)cc1C	217317653	IXXIHODJFAQRHD-UHFFFAOYSA-N	256.353	2.843	70	20	CFID	
CCCNC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F	159504797	JIZXNCVGTNDZRO-UWVGGRQHSA-N	270.323	2.530	70	20	CFID	
CCOC(C)(C)CNC(=O)c1cccc2[nH]ccc12	159695555	DAIODBRFIIRXRM-UHFFFAOYSA-N	260.337	2.713	70	20	CFID	
CCN(CCCO)C(=O)c1ccccc1C(F)(F)F	160511798	ARDLPYWJTPGXBL-UHFFFAOYSA-N	275.270	2.550	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)C1CCCCCC1	160611764	RBKSXOPNISMHJM-UHFFFAOYSA-N	275.458	2.854	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@@H]1C1CCCCC1	161500601	LNWCFLVEODSKMN-OAHLLOKOSA-N	287.469	2.856	70	20	CFID	
COC(=O)[C@H]1CCCCN1CCOc1c(C)cccc1C	216904133	KLNHGXYSAGWQSW-OAHLLOKOSA-N	291.391	2.710	70	20	CFID	
CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460089605	FXXHJTKIQNBABD-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
C[C@H](NCCCc1nnc2n1CCCCC2)c1ccco1	161169675	ZIFMPBDJPRIIRZ-ZDUSSCGKSA-N	288.395	2.881	70	20	CFID	
CCC(CC)(CN)C(=O)NCCCOc1ccccc1C	161210446	XWVHMBMAESZQDP-UHFFFAOYSA-N	292.423	2.645	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)ncn1	161247230	GDYUMILIRVVXPH-VIFPVBQESA-N	277.274	2.554	70	20	CFID	
CC1(C)C[C@H](NC(=O)C[C@@H]2CCCN2)c2ccccc2O1	160345104	ILQPSGOUJVWETC-JSGCOSHPSA-N	288.391	2.547	70	20	CFID	
Cc1nc(C)c(C)c(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160386750	XYPGVIMECUHOAY-KGLIPLIRSA-N	261.369	2.771	70	20	CFID	
C[C@@H](NC1CCN(C2CCCC2)CC1)C1CCN(C)CC1	160510088	PBJLCDUTGJGWBK-OAHLLOKOSA-N	293.499	2.713	70	20	CFID	
CN(CCC1CC1)C(=O)Nc1cccc(-n2ccnn2)c1	160574582	JQGIGQVNYAIBNM-UHFFFAOYSA-N	285.351	2.531	70	20	CFID	
CC(C)c1cnc(NC(=O)[C@@H](N)C(C)(C)C)s1	160894558	PRHOQOQHRBXEMV-SECBINFHSA-N	255.387	2.578	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1	160986148	VSWOLMRJPKSNBX-BMIGLBTASA-N	288.347	2.589	70	20	CFID	
C[C@@H](C(=O)N1CCC[C@H](N2CCCC2)C1)c1ccsc1	159401632	TYXXHOMZEGNOSN-HIFRSBDPSA-N	292.448	2.938	70	20	CFID	
C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)c2ccccc21	159699585	IGCKPMDDNOUXFG-LLVKDONJSA-N	292.342	2.732	70	20	CFID	
COC(=O)CCCC(=O)Oc1ccc(Cl)c(F)c1	159527571	XIHVOQVONCLDAJ-UHFFFAOYSA-N	274.675	2.728	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc2c(s1)CCOC2	159730653	WPAMBTPHAXQXJN-UHFFFAOYSA-N	277.389	2.741	70	20	CFID	
COC(=O)[C@@H](C)SCc1noc(C2CCCCC2)n1	159553095	GUHJNAFCAPIULC-SECBINFHSA-N	284.381	2.912	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1cccc(-c2nccn2C)c1	159385258	LBYCUSVZMYFNSX-GFCCVEGCSA-N	287.363	2.841	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)COc1cccc(C(C)=O)c1	159570989	VCUXDFRMXGETTA-BBRMVZONSA-N	289.375	2.963	70	20	CFID	
CCOc1cccc(CNc2nc(OC)cc(OC)n2)c1	159772595	DGRPYWLMDOYWRV-UHFFFAOYSA-N	289.335	2.505	70	20	CFID	
Cc1cc(OCCCC(=O)NCC(C)(C)N)ccc1Cl	159981306	DGBNHSWDWASOIM-UHFFFAOYSA-N	298.814	2.661	70	20	CFID	
Cc1[nH]ccc1C(=O)NCCc1cc2ccccc2[nH]1	159595874	FOAZSIPPSJFFQC-UHFFFAOYSA-N	267.332	2.777	70	20	CFID	
C[C@H](CCOC1CCCC1)CCS(=O)(=O)Cl	114640222	OPKLQFRRSRDHAG-SNVBAGLBSA-N	268.806	2.931	70	20	CFID	
CC(C)CN1CCC(Nc2cccc(F)n2)CC1	218118931	OWEGSECFACTKNR-UHFFFAOYSA-N	251.349	2.753	70	20	CFID	
C[C@H](NC(=O)c1ccc(Br)nc1)C1CCC1	160201043	SNPPAMQEDQPUJH-QMMMGPOBSA-N	283.169	2.763	70	20	CFID	
Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CCC[C@H](N)C2)s1	161411523	FWSKQTUIMURQPB-NWDGAFQWSA-N	295.452	2.650	70	20	CFID	
C[C@@H]1CC[C@@H](CCC(=O)NCC2(C3CC3)CC2)O1	160018905	GTRSOKNCBUWMQY-YPMHNXCESA-N	251.370	2.641	70	20	CFID	
CC(C)[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	160038418	UXZYNTMMELYVCG-NSHDSACASA-N	291.395	2.616	70	20	CFID	
CCC[C@@H](C)CS(=O)(=O)NCC1(C2CC2)CC1	160194024	HFHALOFVGIQJLG-LLVKDONJSA-N	259.415	2.532	70	20	CFID	
CCn1cc(CNc2cc(C(=O)NC3CC3)ccc2C)cn1	160240009	AECKGTHLLMBAAQ-UHFFFAOYSA-N	298.390	2.716	70	20	CFID	
Cc1cc(NC(=O)c2cnc3c(c2)ncn3C)ccc1F	160374809	CPNCXSUUIGCGPP-UHFFFAOYSA-N	284.294	2.668	70	20	CFID	
CCCC1CCC(NC(=O)[C@@H]2CCn3ccnc3C2)CC1	160399402	CCEUSHRETUXZSE-SHARSMKWSA-N	289.423	2.921	70	20	CFID	
CCCC1(CNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)CC1	160490543	TXUNSGLANCDBNQ-KGLIPLIRSA-N	283.412	2.657	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1	160917018	FWBZXXHRLVTFRI-NHYWBVRUSA-N	274.364	2.696	70	20	CFID	
NC(=O)c1ccc(OCC(=O)CCC2CCCC2)cc1	159913029	DOVBRGAVCQVDBK-UHFFFAOYSA-N	275.348	2.704	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccnc(Cl)c1	159559125	IIUBJTYZNNDBOU-GFCCVEGCSA-N	294.782	2.957	70	20	CFID	
Cc1cc(OCc2nnc3n2CCCC3)ccc1F	217323344	HFZFOZLOJNQMLT-UHFFFAOYSA-N	261.300	2.641	70	20	CFID	
Cc1nn(C)c(Cl)c1CN(C)OCc1ccccc1	159647730	PFCVPPUAPBNUJW-UHFFFAOYSA-N	279.771	2.946	70	20	CFID	
C[C@@H]1SCCN(C(=O)c2cccc3[nH]cnc23)[C@H]1C	159601782	JBJNTJDQVJEYEM-UWVGGRQHSA-N	275.377	2.529	70	20	CFID	
CSc1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H](N)C2)c1	160881756	LYBZZCHLAQJZQW-VXGBXAGGSA-N	278.421	2.717	70	20	CFID	
CC(C)Cc1ccc(CCC(=O)NC[C@@H]2CCOC2)cc1	161107659	NWAJGUUCVCIHHM-KRWDZBQOSA-N	289.419	2.970	70	20	CFID	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)C(C)(C)C	161421123	POXOXIYPCFAEPZ-BPLDGKMQSA-N	274.408	2.764	70	20	CFID	
Cc1cccc([C@@H](NC(=O)[C@@H]2CCOC2)c2ccccn2)c1	160074813	ZJCQKFJDWGDQQA-NVXWUHKLSA-N	296.370	2.632	70	20	CFID	
CC[C@H](NCCN(C)Cc1ccc(F)cc1)[C@@H]1CCOC1	160135443	HYINQECMUWEGFT-WBVHZDCISA-N	294.414	2.662	70	20	CFID	
C[C@H](CC(=O)N(C)c1ccccc1)N[C@H](C)C1CC1	160141539	IEQGZLCQQHKGOQ-CHWSQXEVSA-N	260.381	2.816	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(Cl)n1	160188989	UBMNADBGQFVPAX-NSHDSACASA-N	294.782	2.957	70	20	CFID	
COC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2F)C1	160204676	MFXUEYYTNUPSDJ-KGLIPLIRSA-N	293.382	2.889	70	20	CFID	
Cc1nn(C)c(C)c1[C@H](OC(=O)C1CC1)C(F)(F)F	160296690	IKUJPYJTZCFNAM-JTQLQIEISA-N	276.258	2.594	70	20	CFID	
COC(=O)c1ccnc(NC(=O)[C@@H](C)c2ccsc2)c1	160356799	ABJRIQIRUIMSOS-VIFPVBQESA-N	290.344	2.672	70	20	CFID	
CCCc1ccccc1NC(=O)N[C@@]1(C)CCOC1	160387569	GUGIKDXRUZFAFB-HNNXBMFYSA-N	262.353	2.940	70	20	CFID	
C[C@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CCN1C	160683854	RSKHMDHQCPNUOX-UAGQMJEPSA-N	276.424	2.573	70	20	CFID	
CC(C)NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	160720361	GPYAPBPGWZHWEE-JTQLQIEISA-N	299.777	2.765	70	20	CFID	
CCOc1ccc(Cl)cc1[C@@H](C)NCC(=O)NC(C)C	160935459	YLVWMUAELWDACN-LLVKDONJSA-N	298.814	2.914	70	20	CFID	
O=C([C@H]1CCCCN1)N1CC[C@H](c2ccc(Cl)cc2)C1	159806071	JCUCUVITYKVDOO-DZGCQCFKSA-N	292.810	2.798	70	20	CFID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)C[C@H](C)CC	159776448	ZKUPPIZLFWAWTI-OCCSQVGLSA-N	284.425	2.840	70	20	CFID	
CC(C)C[C@H](O)CNCc1cccc2c1OC(C)(C)C2	217797001	YUBDBPNCTNJTIV-HNNXBMFYSA-N	277.408	2.897	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H](C)c1ccc(F)cc1	159981235	NJBAEUCFDJLPGL-LBPRGKRZSA-N	266.360	2.639	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](C)Sc1ccccc1	161011855	WBPQFEZUMIAKAJ-OLZOCXBDSA-N	281.421	2.690	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H](CC)COC)C1	161023310	HSHIEULLHFUUMY-GJZGRUSLSA-N	270.461	2.902	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCCOC1	161189415	QLEYYYXZQLNZSM-MGPQQGTHSA-N	253.386	2.840	70	20	CFID	
CC(=O)NC[C@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1	161422813	KCCYZBIFVPBNGT-CQSZACIVSA-N	294.439	2.578	70	20	CFID	
CCCCCN(CCCOC)C(=O)Nc1cnn(CC)c1	161487012	XKWNXFVSJORRHE-UHFFFAOYSA-N	296.415	2.964	70	20	CFID	
CC(C)c1cc(C(=O)NC[C@H]2Cc3ccccc32)no1	160086105	APMQUCVRAAFDHF-GFCCVEGCSA-N	270.332	2.868	70	20	CFID	
CC(C)NCCC(=O)N1CCC[C@@](C)(c2ccccc2)C1	160103367	VMHJQYKBKUHEBP-GOSISDBHSA-N	288.435	2.955	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)[nH]2)o1	160289716	FVTHCBWZIJQXDN-UHFFFAOYSA-N	286.266	2.765	70	20	CFID	
c1nc(NCC2CC2)cc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160405425	CDDUUQMLGBOLJW-KBPBESRZSA-N	288.395	2.668	70	20	CFID	
Fc1ccc2c(c1)OCCN2Cc1cnc2ccccn12	160500871	KMZGOLNFPLYIBD-UHFFFAOYSA-N	283.306	2.872	70	20	CFID	
Cc1cccc([C@@H](C)NC(=O)CCNC(C)C)c1C	160834372	DMTDRORYTZXFMO-CQSZACIVSA-N	262.397	2.869	70	20	CFID	
COC[C@H](NC(=O)Nc1cccc2[nH]ccc12)C1CC1	159804051	CHFUGAAMUFYSDC-AWEZNQCLSA-N	273.336	2.714	70	20	CFID	
CCCCNc1ccccc1C(=O)N[C@H]1CCCC[C@H]1O	159809938	WBUSJSZOGSLCED-JKSUJKDBSA-N	290.407	2.932	70	20	CFID	
CC(C)OC1CCC(NC(=O)CC[C@H]2CCCO2)CC1	159417206	KHMIWGVUTDFETE-SHARSMKWSA-N	283.412	2.798	70	20	CFID	
CCOc1cccc(CN[C@H](COC)c2ccco2)n1	159479676	FQEVHOGKDSHMLG-CYBMUJFWSA-N	276.336	2.551	70	20	CFID	
CCCCSCCC(=O)NCCN1CCC[C@H](C)C1	159900683	XGSOTPATMHBLMV-AWEZNQCLSA-N	286.485	2.758	70	20	CFID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCC(=O)N1CCCC1)C2	218604718	GDWIOYNRASKULU-ZQIUZPCESA-N	278.440	2.803	70	20	CFID	
CC1(C)Cc2cccc(CNCCOCC3CC3)c2O1	217803133	MGFLTXDWULZPKY-UHFFFAOYSA-N	275.392	2.916	70	20	CFID	
CCn1cnnc1CNCc1ccccc1C(F)(F)F	218229238	WIQJXBRKAQWAOY-UHFFFAOYSA-N	284.285	2.607	70	20	CFID	
CCC[C@](C)(NC(=O)C1CCC(F)(F)CC1)C(=O)OC	160998401	BPJAZXOLGSXTPX-ZDUSSCGKSA-N	291.338	2.660	70	20	CFID	
C[C@H]1CC(OCCCS(=O)(=O)Cl)C[C@H](C)C1	113561129	LYHBESAJRNPTAG-NXEZZACHSA-N	268.806	2.786	70	20	CFID	
COC(=O)[C@@](C)(NC(=O)c1ccc(F)c(Cl)c1)C1CC1	161294223	BEZNSAYFGJLJGR-AWEZNQCLSA-N	299.729	2.551	70	20	CFID	
CC(C)CCOc1ccc(NC(=O)[C@H]2CSCN2)cc1	161381063	IQUBWMOAPKLTPB-CQSZACIVSA-N	294.420	2.713	70	20	CFID	
CC(C)c1nnc(Cn2nc(C3CC3)nc2C2CC2)o1	161476215	PTESBVWXLNQACE-UHFFFAOYSA-N	273.340	2.588	70	20	CFID	
CCSc1ccc(Cl)cc1C(=O)NCCCN	160109579	HABHEUBISWYHBF-UHFFFAOYSA-N	272.801	2.531	70	20	CFID	
NC[C@@H]1CCCN1C(=O)/C=C/c1cccc2ccccc12	160154952	QBXCABYBEPPXOU-OFAQMXQXSA-N	280.371	2.803	70	20	CFID	
C[C@@H](Oc1cccc(F)c1)C(=O)N(C)Cc1cccn1C	160376388	IFKAPGNMQOVWCB-GFCCVEGCSA-N	290.338	2.590	70	20	CFID	
CC(C)(C)c1cnc([S@](=O)CC(=O)c2ccc[nH]2)s1	160474294	VRVXOLSXVLEYOE-IBGZPJMESA-N	296.417	2.759	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)CC1CCCC1	160709436	KRPOHBAIIXDYCK-NEPJUHHUSA-N	269.385	2.661	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NC[C@@H]1CCc2ccccc2C1	160834109	XHASITYEQSVIMD-LBTNJELSSA-N	299.414	2.913	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccc(CN(C)C)cc1	160867982	MTKASRLHHGLLJP-RKVPGOIHSA-N	289.467	2.567	70	20	CFID	
CCC[C@](C)(O)C(=O)N[C@H]1CCOC2(CCCCC2)C1	159694746	RZJICLMUWMIUJO-ZFWWWQNUSA-N	283.412	2.536	70	20	CFID	
CCCCS[C@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159763175	KIAPPUASLSVNFN-SNVBAGLBSA-N	268.382	2.544	70	20	CFID	
CCN1CCCC[C@H]1CNC(=O)CCC(C)(C)C	159765481	YQLNXBRPKLVDKB-ZDUSSCGKSA-N	254.418	2.803	70	20	CFID	
Cc1csc(CNC(=O)c2c(F)cc(F)cc2F)n1	159776434	ODWFCFQFGULJJL-UHFFFAOYSA-N	286.278	2.799	70	20	CFID	
COc1ccc(N(C)C(=O)C2CCOCC2)cc1Cl	159979499	RMOVLIRNENEAHK-UHFFFAOYSA-N	283.755	2.738	70	20	CFID	
CC(C)N(C)CCCNc1ccc(C(F)(F)F)nn1	217971092	MNXQRYVSPFCSEQ-UHFFFAOYSA-N	276.306	2.638	70	20	CFID	
C[C@@H](CCC(C)(C)C)NC(=O)CC1CCNCC1	159771540	YNQUUTPATTVCKK-LBPRGKRZSA-N	254.418	2.707	70	20	CFID	
CC(C)(C)c1nsc(N2CCC[C@H]2C(C)(C)O)n1	160158835	HEMSMVFPBACBSC-VIFPVBQESA-N	269.414	2.575	70	20	CFID	
COC(=O)c1cc(C(C)C)ccc1S(=O)(=O)Cl	88256017	SUXNZRXXTVHESF-UHFFFAOYSA-N	276.741	2.524	70	20	CFID	
CCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1	161105934	JXDGGSDWRQTXGO-OAHLLOKOSA-N	293.455	2.740	70	20	CFID	
COc1ccc([C@H]2CCCN2C(=O)c2cc(C)ncn2)cc1	161325764	VYTLNTGOTONMBR-MRXNPFEDSA-N	297.358	2.771	70	20	CFID	
CC(C)=CCC[C@]1(C)NC(=O)N(Cc2nccs2)C1=O	161412713	AFLDVBUEEPYMRJ-AWEZNQCLSA-N	293.392	2.700	70	20	CFID	
Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)c1	161481135	BHCFGPDCMYACBS-HUUCEWRRSA-N	297.402	2.940	70	20	CFID	
NCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl	160016749	ZIKLCCZRQCBYAQ-GHMZBOCLSA-N	287.190	2.562	70	20	CFID	
CC(C)(C)CCC(=O)NCCCOC[C@H]1CCCO1	160033713	WWBJUEZVMZZWID-CYBMUJFWSA-N	271.401	2.515	70	20	CFID	
C/C=C(\C=C\C(=O)NC[C@H](O)c1ccccc1)CC	160041881	WUBMAXQNSDVSNM-RLEAULIASA-N	259.349	2.749	70	20	CFID	
CCN(CC)C[C@H](C)Nc1nnc(C(F)(F)F)s1	160165396	UDRUGSOEKUSINK-ZETCQYMHSA-N	282.335	2.699	70	20	CFID	
CCN(CCNC(=O)[C@@H](C)c1cccs1)C(C)C	160177575	MHBJSONDCHMVHQ-LBPRGKRZSA-N	268.426	2.698	70	20	CFID	
CSC[C@H](CCO)N[C@H]1CCc2c(C)cccc21	160185855	ZELMPIIGXYYHNY-WFASDCNBSA-N	265.422	2.686	70	20	CFID	
COc1ncc(Cl)c(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160390668	SZISNAKTOCBWHE-MWLCHTKSSA-N	283.759	2.508	70	20	CFID	
CC(C)OCCC(=O)Nc1cccc(OCCF)c1	160452807	IXWHWXNLRNJVGM-UHFFFAOYSA-N	269.316	2.789	70	20	CFID	
C[C@H](NC(=O)C[C@@H]1CCCN1)c1ncc(-c2ccccc2)o1	160479827	SKNUYPIKLTUTER-JSGCOSHPSA-N	299.374	2.661	70	20	CFID	
CC(C)c1cc(=O)n(CCOc2cccc(F)c2)cn1	160844297	UPKCRGBMMMQXRI-UHFFFAOYSA-N	276.311	2.585	70	20	CFID	
CCN1CCCN(C(=O)NCCCCC(C)(C)C)CC1	159822212	LGCFXUUIGUKNGC-UHFFFAOYSA-N	283.460	2.940	70	20	CFID	
CCOCCC1(CNC(=O)C2(CCOC)CCC2)CC1	159475217	YIUUDOLUXKAHTA-UHFFFAOYSA-N	283.412	2.516	70	20	CFID	
CC[C@H](NCCCn1ccc2ccccc21)C(=O)OC	159486764	LFNGFEYRHYELKI-AWEZNQCLSA-N	274.364	2.573	70	20	CFID	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)C[C@@H](C)O	159496935	YAMKTZQVNBNKQD-MCIONIFRSA-N	292.423	2.840	70	20	CFID	
O=C(c1ccccc1C(F)(F)F)N1CC[C@@]2(CCNC2)C1	159395462	OJSADLQTVRCKIM-CQSZACIVSA-N	298.308	2.531	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnn(C(C)(C)C)c1	159596665	CDSSGUZSUJPDJW-WCQYABFASA-N	263.385	2.947	70	20	CFID	
Fc1cc(F)c(NCc2nnc3n2CCCC3)cc1F	217318989	OXVVJOOAKYWCJP-UHFFFAOYSA-N	282.269	2.644	70	20	CFID	
CC(C)[C@H](O)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160038026	SQFLLZDJTNXKEW-GBJTYRQASA-N	267.413	2.726	70	20	CFID	
CC(=O)Nc1nc(CN2CC[C@@H]3CCCC[C@@H]32)cs1	160545504	AQTQEVCNVPZXPZ-AAEUAGOBSA-N	279.409	2.866	70	20	CFID	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC(C)(C)C	161090331	HPEYREXPVNUPIH-CQSZACIVSA-N	278.396	2.768	70	20	CFID	
CC(C)C(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864244216	OTXBADYCHMWGFN-UHFFFAOYSA-N	287.356	2.509	70	20	CFID	
CCCn1nccc1CNC[C@@]1(N(C)C)CCC[C@@H](C)C1	160113418	FCZKKDZPKGZXHY-NVXWUHKLSA-N	292.471	2.893	70	20	CFID	
COCCOCCC(=O)O[C@@H](C)c1cc(C)ccc1OC	160123620	RXIZLVJWQWMVOF-ZDUSSCGKSA-N	296.363	2.661	70	20	CFID	
CC(C)n1nccc1C(=O)Nc1nnc(C(C)(C)C)s1	160154002	FBOZVGSNDFBAAV-UHFFFAOYSA-N	293.396	2.865	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@@]2(C)CCCO2)c1C	160187998	IUHIGXGPPGRZJN-OAHLLOKOSA-N	294.399	2.682	70	20	CFID	
COc1ncccc1NC(=O)N[C@@H](C)CC(C)C	160541500	TVBOODOHRJAIIT-JTQLQIEISA-N	251.330	2.646	70	20	CFID	
c1ccn2c(CN3CC[C@H](CN4CCCCC4)C3)cnc2c1	160795878	BTEWGCPFYSTOQP-MRXNPFEDSA-N	298.434	2.642	70	20	CFID	
CCN(C)Cc1cccc(CNC(=O)C[C@@H](C)SC)c1	160857213	SBNANJWWUNAYMK-CYBMUJFWSA-N	294.464	2.896	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)Nc2ccc(NC(N)=O)cc2)C1	159483130	XEBRMLHLTWHTEW-QWRGUYRKSA-N	275.352	2.942	70	20	CFID	
CC(C)OC(=O)[C@H](C)N(C)c1nc(C(C)(C)C)ns1	159979081	WKDMNCOESHUYNN-VIFPVBQESA-N	285.413	2.612	70	20	CFID	
CCN(Cc1ccncc1)C[C@@H](O)c1ccccc1F	218153457	XCBJZKAIOAEHDR-MRXNPFEDSA-N	274.339	2.776	70	20	CFID	
CC(C)(C)c1nsc(N[C@H](CO)C(C)(C)C)n1	160309564	WXVPZFHRJUKIGZ-MRVPVSSYSA-N	257.403	2.655	70	20	CFID	
CN(Cc1cc(Cl)cc(Cl)c1)Cc1nncn1C	160808973	SYHXVZHBLLWNRK-UHFFFAOYSA-N	285.178	2.754	70	20	CFID	
Cc1ccc(OC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865206312	ZINMNHUPRWMECU-UHFFFAOYSA-N	294.303	2.872	70	20	CFID	
Cc1nc(CNC(=O)[C@H]2CCC[C@H](C)C2)cs1	161008619	VVAVAIQJHYGBQJ-ONGXEEELSA-N	252.383	2.894	70	20	CFID	
CCN(CC1CC1)C(=O)NC[C@@H]1CCCCN1CC(C)C	161028962	HPTSLTHSYGQCQJ-INIZCTEOSA-N	295.471	2.938	70	20	CFID	
CC[C@H](C)c1cc(C(=O)NC[C@H](C)CN2CCCC2)on1	161078369	OFHDRUSYYIJBFG-STQMWFEESA-N	293.411	2.650	70	20	CFID	
C[C@@H]1Sc2ccccc2N(Cc2nncn2C)[C@@H]1C	161156938	JBODBEJWRDUMDA-MNOVXSKESA-N	274.393	2.704	70	20	CFID	
Cc1ccccc1OCCCC(=O)N1CCC(C)(O)CC1	161251551	XIJDCCJNJFRDDE-UHFFFAOYSA-N	291.391	2.527	70	20	CFID	
Cc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCn2ccnc2C1	161436522	XMJHLQIIEKEGHV-BBRMVZONSA-N	295.386	2.558	70	20	CFID	
CCN(C)C[C@@H]1CCN(CCC(=O)c2ccc(C)cc2)C1	160020802	YFRILODACGUORX-INIZCTEOSA-N	288.435	2.841	70	20	CFID	
CCNC(=O)c1cccc(CN[C@@H](C)c2ccco2)c1	160188716	OTQOSFQIXALGFB-LBPRGKRZSA-N	272.348	2.880	70	20	CFID	
C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCN(CC2CC2)C1	160664852	GFEJOBGQNPVTCM-CZUORRHYSA-N	299.418	2.632	70	20	CFID	
Cc1nc(C)c(C(=O)NCCc2cc3ccccc3[nH]2)o1	159619200	QDILYGJXXYPRNB-UHFFFAOYSA-N	283.331	2.745	70	20	CFID	
CC(C)CCn1cccc1CN1CCC(CC(N)=O)CC1	159846732	OREAAMLYCFITPT-UHFFFAOYSA-N	291.439	2.622	70	20	CFID	
CCOC[C@@H]1CCN(CCC(=O)c2ccc(C)cc2)C1	159987527	DVMVMYSQRYUPIQ-OAHLLOKOSA-N	275.392	2.926	70	20	CFID	
Cc1c(CNCc2ccc(OC(C)C)cc2)cnn1C	159917428	IIOFXYHEOQTXSN-UHFFFAOYSA-N	273.380	2.806	70	20	CFID	
CC[C@](C)(O)CN(C)Cc1nc2c(s1)CCCC2	161387033	WUZJHPDTAJNJMK-AWEZNQCLSA-N	268.426	2.615	70	20	CFID	
CON(C)C(=O)C(F)(F)c1ccc(Br)cc1	217663281	HIWBQLHMZPCUFJ-UHFFFAOYSA-N	294.095	2.561	70	20	CFID	
CCCNC(=O)C(=O)Nc1ccccc1SC(C)C	161064613	HDIYDBOGFXRMLZ-UHFFFAOYSA-N	280.393	2.652	70	20	CFID	
FC(F)(F)c1ccnc(N2CCC(n3ccnn3)CC2)c1	160195440	CUFZBNBZGFYIMS-UHFFFAOYSA-N	297.284	2.533	70	20	CFID	
CCc1nnc(Cn2ccc(-c3ccccc3)n2)o1	160848479	OHBHDHIHWZYOBV-UHFFFAOYSA-N	254.293	2.544	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cc(C(=O)N(C)C)ccc1C	159417140	NISBSURLMNDKQS-LLVKDONJSA-N	294.420	2.777	70	20	CFID	
CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C1	159532628	AFCQQKHSSVVZHU-VHDGCEQUSA-N	294.439	2.576	70	20	CFID	
C[C@H](C1CC1)N(C)C(=O)c1cccc(NC(=O)N(C)C)c1	159742278	LPLRMYITMYRDBM-LLVKDONJSA-N	289.379	2.651	70	20	CFID	
C[C@@H](CCC(=O)NCc1ncc[nH]1)c1ccccc1	159745259	TWPXINXEOIHJMI-LBPRGKRZSA-N	257.337	2.610	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CSc1nncn1C(C)C	159571727	LFXDCYMQLYKICA-NEPJUHHUSA-N	296.440	2.646	70	20	CFID	
C[C@@H]1CCC[C@H](N[C@H](C)c2cccc(S(N)(=O)=O)c2)C1	217996014	YQILCCDQWDAIMY-BZPMIXESSA-N	296.436	2.563	70	20	CFID	
CC[C@H](O)CCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	218086289	SGCYRKYTMUOERP-AXFHLTTASA-N	281.318	2.632	70	20	CFID	
CC1(C)C[C@@H](NC2CCN(CC(F)(F)F)CC2)CCO1	159973942	BKSGHXVQHXZJKY-LBPRGKRZSA-N	294.361	2.560	70	20	CFID	
CN(Cc1csc(-c2ccco2)n1)[C@H](CN)C1CC1	160077515	RZEYWYPQCTYDIP-GFCCVEGCSA-N	277.393	2.572	70	20	CFID	
CCn1nccc1CN[C@@H](C)Cc1ccccc1F	160108348	YHNHLMHOHYACQC-LBPRGKRZSA-N	261.344	2.763	70	20	CFID	
CCOC1CC(Nc2cc(CN(C)C)ccc2OC)C1	160200955	GYMSVOZYXWHXLW-UHFFFAOYSA-N	278.396	2.736	70	20	CFID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)C1CC1)C(F)(F)F	160296821	IKUJPYJTZCFNAM-SNVBAGLBSA-N	276.258	2.594	70	20	CFID	
CCc1nnc(CN2CCC[C@@H]2c2cccc(C)n2)o1	160210990	JXWILAWHIPMXKT-CYBMUJFWSA-N	272.352	2.673	70	20	CFID	
CCC(CC)CNC(=O)N1CCC(n2ccnc2)CC1	160565650	PXSRYJQZDVDODT-UHFFFAOYSA-N	278.400	2.666	70	20	CFID	
C/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675221	GVTIRSHDYOIUAZ-YWEYNIOJSA-N	271.313	2.558	70	20	CFID	
Cc1ccc(C(=O)CCC(=O)N[C@H](CO)CC(C)C)s1	161062014	HUADNHJNPGIYIB-LBPRGKRZSA-N	297.420	2.543	70	20	CFID	
CCC(CC)(CN)C(=O)NCc1ccccc1OC(C)C	161171604	URNVTBWVWKFGDE-UHFFFAOYSA-N	292.423	2.855	70	20	CFID	
CCCn1c(C)nnc1COc1ccc(C(C)=O)cc1	161182397	ATAWSMAZWBVBEY-UHFFFAOYSA-N	273.336	2.778	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)C[C@@H](C)OC)o1	161298487	WUVYXMFDRCDGIW-DGCLKSJQSA-N	281.352	2.515	70	20	CFID	
CCCC(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	160104261	PRDYJYLGLSYMCI-NSHDSACASA-N	278.274	2.984	70	20	CFID	
CN(C(=O)CCC1CCOCC1)c1ccc2c(c1)OCO2	160210805	DVAJYEYVAWWOIX-UHFFFAOYSA-N	291.347	2.585	70	20	CFID	
Cn1c(C(=O)N2CCC[C@@H]2C2CCCCC2)cccc1=O	160366944	WBAMWMWUHMCBPF-CQSZACIVSA-N	288.391	2.570	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)Oc1ccc(C(C)=O)c(F)c1	160520176	OFPXDXPMGKWNCW-SECBINFHSA-N	288.340	2.783	70	20	CFID	
O=C1C[C@H](CC(=O)N2CCC3(CCCCC3)CC2)CO1	160748306	QJKOECWUYLGOBB-ZDUSSCGKSA-N	279.380	2.513	70	20	CFID	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)[C@@H]1CCCCO1)C2	160796300	QYUDFMDTLIZLHK-JFILPPLUSA-N	265.397	2.887	70	20	CFID	
C[C@@H](CC(=O)N(C)CC(C)(C)O)c1ccc(F)cc1F	159628056	MUIDUJIDFAPIEV-JTQLQIEISA-N	285.334	2.688	70	20	CFID	
CN(C)c1cccc([C@H]2CCCN2CCn2ccnc2)c1	159851257	WIXHDPNMSWZNFA-QGZVFWFLSA-N	284.407	2.786	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(Cl)ccn1	159918434	GVDKOZZBINSYOG-LBPRGKRZSA-N	294.782	2.957	70	20	CFID	
CSCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159724358	LDNIMBRCQPPYDU-RBSFLKMASA-N	292.448	2.519	70	20	CFID	
Cc1ccc(OCC(=O)NCC2(C3CC3)CC2)cc1C	159778558	HMFHUFGMRIEHKM-UHFFFAOYSA-N	273.376	2.989	70	20	CFID	
Fc1ccc(F)c(NCc2nnc3n2CCCC3)c1	217317508	OJLLFVUVSJPRQY-UHFFFAOYSA-N	264.279	2.505	70	20	CFID	
C[C@H](CNC(=O)c1ccc(O)cc1O)c1ccccc1	217485242	GAXJBXLFQISEEK-LLVKDONJSA-N	271.316	2.631	70	20	CFID	
CC1(C)CC[C@H](COC(=O)c2ccc(F)cc2N)O1	160794543	ZQDQKZJJIGOQCX-SNVBAGLBSA-N	267.300	2.522	70	20	CFID	
CSc1ccc(C)c(C(=O)N[C@H]2CCC[C@@H](N)C2)c1	160881861	LYBZZCHLAQJZQW-NEPJUHHUSA-N	278.421	2.717	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ccc(F)cc1	161036363	KVOYHRQFRNZQCR-GOSISDBHSA-N	267.325	2.992	70	20	CFID	
Fc1cc(F)c(-c2nc([C@@H]3CCOC3)no2)cc1F	161383737	UVTISJMEEWOKHO-ZCFIWIBFSA-N	270.210	2.658	70	20	CFID	
C[C@H]1CN(CCC(=O)c2ccc(F)cc2)[C@@H](C)CO1	218349161	CTRBDMATHBEVBO-RYUDHWBXSA-N	265.328	2.508	70	20	CFID	
CC[C@H](C(=O)N1CC[C@@]2(CCOC2)C1)c1ccc(F)cc1	161004680	KFFHDQPIBXSRFD-DOTOQJQBSA-N	291.366	2.958	70	20	CFID	
CC(C)NCCC(=O)NC1(c2ccccc2)CCCC1	160049220	NUOIWVWEZWMIOJ-UHFFFAOYSA-N	274.408	2.960	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@@H]1CCC[C@H](C)C1	160065789	FFXQKJDYBNVBQP-UONOGXRCSA-N	298.427	2.938	70	20	CFID	
C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccncc1	160139854	SFZCELFYMQZIGS-BBRMVZONSA-N	287.407	2.666	70	20	CFID	
CCO[C@@H](CC)C(=O)N[C@H]1CCc2c(OC)cccc21	160175827	DIRKZKWPWKDYJG-KBPBESRZSA-N	277.364	2.614	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N(C)Cc2cccn2C)on1	160495659	PFYYHQCWLCTRAW-LLVKDONJSA-N	275.352	2.799	70	20	CFID	
CCc1ccccc1C(=O)NCCCOC[C@H]1CCCO1	160808213	KQTMQABRUULROM-OAHLLOKOSA-N	291.391	2.565	70	20	CFID	
C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1cccn1C	160817156	WOADEMBJTVEJDF-HIFRSBDPSA-N	278.396	2.579	70	20	CFID	
O=C(NCc1csc(-c2ccco2)n1)[C@@H]1CCCCO1	160870542	UZMKMCZSTBCQCF-NSHDSACASA-N	292.360	2.588	70	20	CFID	
Cc1cccc2c(CCC(=O)NCC3CC3)c[nH]c12	159644377	YWJXUMIYFWYAOO-UHFFFAOYSA-N	256.349	2.935	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C(=O)Nc2ccccc21	159674013	RZCXIDOBFOJSQI-BNOWGMLFSA-N	286.375	2.807	70	20	CFID	
C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ns2)CN1C1CC1	159912752	VCNRIBBZJXHWJA-VHSXEESVSA-N	280.441	2.873	70	20	CFID	
CC[C@H](NC(=O)[C@H]1CCCCN1)c1ccc(F)cc1F	159725775	MLORBGCQOHISPZ-UONOGXRCSA-N	282.334	2.674	70	20	CFID	
CN(CCOc1ccccc1Cl)C[C@H]1CCC[C@@H]1O	159487537	PPUCRZWAUXTTBM-OCCSQVGLSA-N	283.799	2.812	70	20	CFID	
Cc1ccc(Cl)c(OC[C@@H](O)CN2CCCCC2)c1	159508985	TVZAGAADBABGFQ-ZDUSSCGKSA-N	283.799	2.874	70	20	CFID	
C[C@@H](NCc1cc2ccccc2o1)C(=O)NC(C)(C)C	159699569	NMISMORPIYEPGU-LLVKDONJSA-N	274.364	2.826	70	20	CFID	
C[C@H](N[C@H](C)c1c(F)cccc1F)C(=O)NC(C)(C)C	159725985	AHTJYKDTLRMMKP-ZJUUUORDSA-N	284.350	2.919	70	20	CFID	
CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCC[C@H](N)C1	161015112	IMMMHJHSNHKOKF-KKUMJFAQSA-N	290.407	2.539	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)NC1CCCCC1	161095493	QGMOEIXHVPKTFE-CQSZACIVSA-N	289.423	2.741	70	20	CFID	
Cc1cc(C)cc(C[C@@H](C)NC(=O)CC2CCNCC2)c1	161348567	JPASQDINMFZBTA-OAHLLOKOSA-N	288.435	2.740	70	20	CFID	
COc1ncccc1NC(=O)c1cccc(C)c1F	161462370	YLYTXXDCZQUJBV-UHFFFAOYSA-N	260.268	2.790	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc2nccnc2c1	160183365	LNNPXLPYOWNBHU-SECBINFHSA-N	261.350	2.710	70	20	CFID	
O=C(NCCCOc1ccc2ccccc2c1)c1cn[nH]c1	160717612	UXYPUFUOOVFXBS-UHFFFAOYSA-N	295.342	2.762	70	20	CFID	
CC[C@H](NC(=O)[C@@H](C)CNC)C(C)(C)c1ccccc1	160761607	RMQBGGOHFOTUPD-ZFWWWQNUSA-N	276.424	2.715	70	20	CFID	
CS[C@H](C)CNC(=O)NCc1ccn(C2CCCC2)n1	160794279	UVDSSYCEWKXSHV-LLVKDONJSA-N	296.440	2.549	70	20	CFID	
COC(=O)c1csc(NC(=O)N[C@@H]2C=CCCC2)c1	160869561	GMYHVKRCYPMXQJ-SNVBAGLBSA-N	280.349	2.765	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC1	159883503	REANZWQRRAAEQT-AWEZNQCLSA-N	283.460	2.938	70	20	CFID	
C[C@@H]1CCCN(C(C)(C)CNC(=O)NC2(C)CCC2)C1	159910851	KRBRPYAQJIFZLE-CYBMUJFWSA-N	281.444	2.739	70	20	CFID	
CCCN1CC[C@@H](CNC(=O)NCC2(C3CC3)CCC2)C1	159764310	YGXXPXMBAJLZSE-AWEZNQCLSA-N	293.455	2.598	70	20	CFID	
Cc1c(CNCCc2cccc(Cl)c2)cnn1C	159605412	YBSVHBDSTXKPIZ-UHFFFAOYSA-N	263.772	2.714	70	20	CFID	
COC(=O)[C@@H](C)NCc1ccc(Cl)c2cccnc12	160319463	BQCNPCQPIAILJY-SECBINFHSA-N	278.739	2.539	70	20	CFID	
C[C@H](CN1CCCC1=O)NCc1coc2ccccc12	161092981	ZDGZRQZUNFQFES-GFCCVEGCSA-N	272.348	2.533	70	20	CFID	
COc1ccc(C(=O)Nc2cccnc2C)c(F)c1	217733727	AEKAPYGGWMJVNG-UHFFFAOYSA-N	260.268	2.790	70	20	CFID	
CCCOCC(CC)(CC)CS(=O)(=O)Cl	114473765	TXQGWMRLCJMICA-UHFFFAOYSA-N	256.795	2.788	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1nc(C)cc1C	161051988	LKACUSMZCXAHBT-CABCVRRESA-N	277.412	2.927	70	20	CFID	
C[C@H](NCCc1ccc2c(c1)OCO2)c1cncs1	161123334	GTGMTPCFFZKMTK-JTQLQIEISA-N	276.361	2.765	70	20	CFID	
CCOCCC1(CNC(=O)N2CC[C@@H](CC)C2)CC1	161350568	RVMNTWCHVXXMAO-CYBMUJFWSA-N	268.401	2.635	70	20	CFID	
CCCC(O)(CCC)CC(=O)N(C)C[C@@H]1CCCOC1	161494771	LEKWAPDOWQSUDU-AWEZNQCLSA-N	285.428	2.593	70	20	CFID	
Cc1cccc(C(=O)N[C@@H](C)c2nnc3ccccn23)c1F	160105913	MBEODBQTIAAZGY-NSHDSACASA-N	298.321	2.668	70	20	CFID	
Cc1cc(C)c(C(=O)N(C)c2ccc3c(c2)OCO3)[nH]1	160138748	CXOWESOWCIQTLG-UHFFFAOYSA-N	272.304	2.637	70	20	CFID	
NCC[C@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1	160201294	XHSJRMGHMNBGOZ-XXXXFFMBSA-N	290.451	2.646	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160242865	JVXFIOOZBOXQFA-XHDPSFHLSA-N	261.321	2.814	70	20	CFID	
COCc1cccc(C(=O)N(C)c2ccc3c(c2)OCO3)c1	160246184	ZFRMKQWVYWOVAO-UHFFFAOYSA-N	299.326	2.838	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N[C@H](C)CN2CCCCC2)on1	160369701	GHLZMJUQDYYTEH-CHWSQXEVSA-N	293.411	2.792	70	20	CFID	
CC[C@@H](C)OCC(=O)N1C[C@H](C)Oc2ccc(C)cc21	160473617	NAJQYMDJHHOMPI-OLZOCXBDSA-N	277.364	2.924	70	20	CFID	
CC[C@@H](NC(=O)CC[C@@H]1CCOC1)c1c(C)noc1C	160667581	BXBUKCHGYXHWGY-CHWSQXEVSA-N	280.368	2.675	70	20	CFID	
Cc1cc(C(=O)Cn2cnc(C(C)C)cc2=O)ccc1F	160739408	PBBMQUTWENEFQL-UHFFFAOYSA-N	288.322	2.697	70	20	CFID	
CCN(C(=O)Nc1cc(C(=O)OC)cs1)C1CC1	160764064	CWAASZSLHRQWFL-UHFFFAOYSA-N	268.338	2.551	70	20	CFID	
O=C(CSC(F)(F)F)N1CCc2c(F)cccc2C1	160813247	VSHWDRDQGPAKDK-UHFFFAOYSA-N	293.285	2.963	70	20	CFID	
C[C@H](O)CN(C)[C@H](C(=O)Nc1ccccc1)c1ccccc1	159427510	ADSDMSPXDQAULR-YOEHRIQHSA-N	298.386	2.679	70	20	CFID	
C[C@H](CNC(=O)NCC1(C2CC2)CCC1)CN1CCCC1	159660204	DYLJJJYUXXULES-CQSZACIVSA-N	293.455	2.598	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1	159724506	FNAALFJOHLWTIF-QPSCCSFWSA-N	283.412	2.656	70	20	CFID	
CCCCN(C)C(=O)CCCc1nc(C2CC2)no1	159370481	HVNQGHQORXNMKG-UHFFFAOYSA-N	265.357	2.528	70	20	CFID	
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1ccncc1	159964512	YMHUTFKZHFDRRB-LLVKDONJSA-N	290.392	2.551	70	20	CFID	
C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](N)C1	217507461	LRMOUXVXWFMUOK-ZYHUDNBSSA-N	270.323	2.772	70	20	CFID	
CN(Cc1noc(C(C)(C)C)n1)OCc1ccccc1	159631673	KRXYOHUPIAQAFP-UHFFFAOYSA-N	275.352	2.931	70	20	CFID	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H](C)CC(N)=O	161363634	WHXBZOLHGYQJBW-BDAKNGLRSA-N	283.441	2.664	70	20	CFID	
CC1=CCN(C(=O)c2cncc(Br)c2)CC1	160166368	BHBBYQQLHLGCKV-UHFFFAOYSA-N	281.153	2.636	70	20	CFID	
COCC[C@@H](C)NC[C@H](C)COCc1ccccc1	161309491	GKMDJAPCHCUZLS-LSDHHAIUSA-N	265.397	2.854	70	20	CFID	
Cc1ccc(Cl)cc1OCCS(=O)(=O)Cl	115246952	RWAKZXZZNLCZRS-UHFFFAOYSA-N	269.149	2.596	70	20	CFID	
Cc1ccccc1-c1nnc(SCc2ccnn2C)n1C	161261420	JSGYNPAVOXHWAN-UHFFFAOYSA-N	299.403	2.816	70	20	CFID	
CN(C(=O)CC1CCSCC1)c1ccc2c(c1)OCO2	160322169	QAVQWVPKYSKGJM-UHFFFAOYSA-N	293.388	2.911	70	20	CFID	
CN(C)[C@H]1CCC[C@H](NC(=O)NCC2(C3CC3)CCC2)C1	160907885	HBPINHLWWJLLAF-GJZGRUSLSA-N	293.455	2.739	70	20	CFID	
Cc1c(NC(=O)[C@]2(C)CCNC2)sc2c1CCCC2	160986608	XCLJIRQTXFTXRW-OAHLLOKOSA-N	278.421	2.873	70	20	CFID	
C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1F	159469328	WARAQALRVKPGON-MEBBXXQBSA-N	290.313	2.842	70	20	CFID	
CCC(=O)c1ccc(OC(=O)[C@H]2CCCCO2)cc1	159558304	DTDPQLRYYJERIJ-CQSZACIVSA-N	262.305	2.754	70	20	CFID	
CCO[C@H]1C[C@H](NCC2(CO)CCCC2)C12CCCC2	160087348	RZGHHZOPMYZTFU-GJZGRUSLSA-N	281.440	2.867	70	20	CFID	
CCN(CCCO)C(=O)C1(c2cccc(Cl)c2)CCC1	160528978	SAOYECOIVXVKDB-UHFFFAOYSA-N	295.810	2.993	70	20	CFID	
NCC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1	161198876	VAMAEVHANLXADC-UHFFFAOYSA-N	292.379	2.851	70	20	CFID	
CCOC[C@H]1CCN(C(=O)c2ccc(Cl)nc2C)C1	160394901	INNDFZLKSXSMCR-NSHDSACASA-N	282.771	2.542	70	20	CFID	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c(C)o1	460091566	JXCLVCILZQVERN-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
CC[C@H](COC1CCCCC1)CS(=O)(=O)Cl	114472569	LSSRKRAXAGNKOC-SNVBAGLBSA-N	268.806	2.931	70	20	CFID	
COc1ccc(Cl)c(NC(=O)c2cc(C)ncn2)c1	160311862	KFSGEXDGYNCSBA-UHFFFAOYSA-N	277.711	2.699	70	20	CFID	
COCCC1(C(=O)Nc2ccc(C)cc2O)CCC1	160402767	USMYYVYCKPMZDT-UHFFFAOYSA-N	263.337	2.846	70	20	CFID	
CCOC(=O)C1(C(=O)N(CC)C[C@@H](C)CC)CCC1	160602481	DUFYESGUSXWWGB-LBPRGKRZSA-N	269.385	2.614	70	20	CFID	
CCCNC(=O)c1ccc(N[C@H]2CCOC(C)(C)C2)nc1	160686203	TVUIFPVWOMRHPD-ZDUSSCGKSA-N	291.395	2.591	70	20	CFID	
COc1ccc(S(=O)(=O)Nc2c(C)cccc2F)cc1	160825819	MATQGJABTHXHDG-UHFFFAOYSA-N	295.335	2.944	70	20	CFID	
CC(C)N(CCNC(=O)c1cccn1C(C)C)C(C)C	160927455	NEUMILOBHKVVRV-UHFFFAOYSA-N	279.428	2.918	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc[nH]c1	160995420	MPPGPPJFIPCUAZ-ZDUSSCGKSA-N	262.353	2.626	70	20	CFID	
COc1cc(OC)cc(C(=O)NCC2(C3CC3)CC2)c1	159832387	CHEVMGYTYSZWFY-UHFFFAOYSA-N	275.348	2.624	70	20	CFID	
C[C@H](CNC(=O)C(C)(C)C1CCCC1)Cn1cccn1	159671505	RPTANRNUNCJOTG-CYBMUJFWSA-N	277.412	2.852	70	20	CFID	
CCOC(C)(C)CNc1c(F)c(F)nc(F)c1F	159674490	SVLDSSBBEHHXJK-UHFFFAOYSA-N	266.238	2.865	70	20	CFID	
CC(C)CCCNC(=O)c1ccc(C(=O)NC(C)C)cc1	159739871	KBUPZLBVTFJGSX-UHFFFAOYSA-N	290.407	2.991	70	20	CFID	
O=C(CSCc1cscn1)NCC1(C2CC2)CC1	159938054	OQIUVGXAXLPWBQ-UHFFFAOYSA-N	282.434	2.683	70	20	CFID	
C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1	159386507	IJHOBHKXTZMPJI-UKRRQHHQSA-N	287.407	2.523	70	20	CFID	
C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@H]1C	159778911	UHDPHFMQNPAVRL-MJBXVCDLSA-N	293.411	2.570	70	20	CFID	
COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c(O)c1	218009835	YIJQXUDQTUVXPY-VXGBXAGGSA-N	277.364	2.957	70	20	CFID	
CCOC(CCNCc1cccc(COC)c1)OCC	159537034	YHALRFXDMCIHMB-UHFFFAOYSA-N	281.396	2.712	70	20	CFID	
C[C@H](NCc1cc2ccccc2o1)C(=O)N1CCCC1	159700009	QDHFDWFTNXZQDK-LBPRGKRZSA-N	272.348	2.533	70	20	CFID	
CCCn1nccc1CNCCCN1CCCC[C@@H]1C	159962039	HINSGKPYCSMEJV-HNNXBMFYSA-N	278.444	2.647	70	20	CFID	
CCOC(=O)c1ccc(NCc2ccnn2CC)cc1	159997449	YKXLWEICRRZSEX-UHFFFAOYSA-N	273.336	2.692	70	20	CFID	
COc1cc(NC(=O)CCC2CCNCC2)ccc1F	160336628	ULOFWFOOJRZJGY-UHFFFAOYSA-N	280.343	2.553	70	20	CFID	
COCC[C@H](C)NC[C@@H](C)COCc1ccccc1	161309142	GKMDJAPCHCUZLS-CABCVRRESA-N	265.397	2.854	70	20	CFID	
Cc1cccc(C(=O)N(C)Cc2ccncc2)c1F	161431358	MXPCDCMGSQNEEI-UHFFFAOYSA-N	258.296	2.801	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](CC)COC)c1C	160089735	HFSPIQCTYHZHAQ-GFCCVEGCSA-N	282.388	2.538	70	20	CFID	
OC1CCC(NCC2C3CC4CC(C3)CC2C4)CC1	216689083	OICPOGILNTWXAI-UHFFFAOYSA-N	263.425	2.952	70	20	CFID	
Cc1ccc(CCCCC(=O)NC[C@@H](C)CCO)cc1	161036566	VXKWKVXSQRVPIN-HNNXBMFYSA-N	277.408	2.843	70	20	CFID	
COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(C)ncn1	161286618	QPJRYNZXEBLDRW-LBPRGKRZSA-N	285.347	2.593	70	20	CFID	
CCC[C@@H](C(=O)Nc1n[nH]c2c1c(CC)nn2C)C(C)C	160112795	NWQZFWAPNNJHIN-SNVBAGLBSA-N	291.399	2.870	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](CC(C)C)c1ccccn1)CC2	160324065	YWJSOMDVLDJQSG-GOEBONIOSA-N	299.422	2.673	70	20	CFID	
CCOC(=O)C(C)(C)N(C)C(=O)c1cc(CC)c(CC)o1	160374295	BNESTSJXQVHNSG-UHFFFAOYSA-N	295.379	2.818	70	20	CFID	
CC(C)CSCCCNC(=O)CC[C@H]1CCOC1	160733849	YTLWZTLEWLMFNJ-ZDUSSCGKSA-N	273.442	2.699	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc(N2CCOC2=O)cc1	160737482	YBOPWZYSKMAJSG-JTQLQIEISA-N	294.376	2.723	70	20	CFID	
C[C@@]1(O)CCCN(C(=O)Nc2cccc3[nH]ccc23)C1	160824064	OXNCEIHHSWVYFI-OAHLLOKOSA-N	273.336	2.547	70	20	CFID	
COc1cccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159617048	GEFCQYZJMLABQL-JYJNAYRXSA-N	273.376	2.742	70	20	CFID	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C[C@@H]2CCCN2)C1	159430123	QGQFBVDEMWYDIY-DVOMOZLQSA-N	290.382	2.877	70	20	CFID	
CCc1nc(CC(=O)NCC2(C3CC3)CC2)cs1	159962180	VPUXBKOJMQEOPF-UHFFFAOYSA-N	264.394	2.554	70	20	CFID	
CCCCN(C)S(=O)(=O)Cc1c(F)cccc1F	159982616	KCLALZGNQMNTJM-UHFFFAOYSA-N	277.336	2.527	70	20	CFID	
COc1ccc(Cl)c(NCc2nnc3n2CCCC3)c1	217318645	KCMXSHWIISMIEO-UHFFFAOYSA-N	292.770	2.889	70	20	CFID	
CN(Cc1ncc(Cl)n1C)OCc1ccccc1	159628436	ZFIPBAIOJCNSIN-UHFFFAOYSA-N	265.744	2.637	70	20	CFID	
CCN(CCCO)C(=O)CCc1ccc([C@H]2C[C@H]2C)o1	160562447	AXUFARYAMMHWML-OCCSQVGLSA-N	279.380	2.567	70	20	CFID	
CCN(CCCS(=O)(=O)C(C)C)C1CCCCC1	160764495	GHQITAVQUFPRSP-UHFFFAOYSA-N	275.458	2.854	70	20	CFID	
O=C(NC[C@H]1CCCO1)Nc1c(F)cccc1Cl	217313073	MMOITRSWXUWXOV-MRVPVSSYSA-N	272.707	2.780	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)C[C@@H](C)SC)cc1	160023410	ZHRVXBWIMMHZKD-SNVBAGLBSA-N	280.393	2.516	70	20	CFID	
CCC(C)(CC)C(=O)N[C@@H](C)C(=O)OC(C)(C)C	159497729	GWTACUCVJCHHRV-JTQLQIEISA-N	257.374	2.659	70	20	CFID	
COc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1N	161193074	URXLFWUXEWAMQK-UHFFFAOYSA-N	289.335	2.815	70	20	CFID	
C[C@@H](N)C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C	160073491	BFMGYLUCCGFUCA-YPMHNXCESA-N	254.418	2.835	70	20	CFID	
CC(C)(CNC(=O)c1ccc(C(N)=O)s1)C1CCCC1	160126606	RCKGZEQCCWUZTJ-UHFFFAOYSA-N	294.420	2.793	70	20	CFID	
CCc1nnsc1C(=O)N[C@@H](CC)c1c(C)noc1C	160224931	LEFGANAGJAJCAH-VIFPVBQESA-N	294.380	2.586	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C)s1)CC2	160303113	TWNOGJYLIZFOQH-CMPLNLGQSA-N	276.409	2.622	70	20	CFID	
COCCOc1ccc(NC(=O)N[C@H](C)CC(C)C)cn1	160317868	GZRMQQCFEASCBD-GFCCVEGCSA-N	295.383	2.663	70	20	CFID	
C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cccn2C)[C@H](C)C1	160450512	FIONXFQQLBWSOB-UMVBOHGHSA-N	277.412	2.991	70	20	CFID	
CCC(=O)Nc1cccc(C(=O)N(C)Cc2cccn2C)c1	160701558	BCQJUZMFCIOAIN-UHFFFAOYSA-N	299.374	2.646	70	20	CFID	
CC(C)Oc1ccccc1CC(=O)N[C@H](CCO)C(C)C	160737710	HKFJVMRGEBGJSW-OAHLLOKOSA-N	293.407	2.540	70	20	CFID	
C[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1	160816673	KJBSOBCDEMEOOS-LSDHHAIUSA-N	293.455	2.835	70	20	CFID	
C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1	160816788	KJBSOBCDEMEOOS-CABCVRRESA-N	293.455	2.835	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NC1(C(=O)OC)CCCCCC1	160880028	NUVISLUCQWILRF-DOMZBBRYSA-N	281.396	2.805	70	20	CFID	
COC(C)(C)C[C@H](C)NC(=O)COc1cc(C)ccc1F	160901007	ZHIDKFXVCOVVOP-LBPRGKRZSA-N	297.370	2.833	70	20	CFID	
O=C(CNC(=O)CC1CCCC1)NCCCC1CCCC1	159600983	AQOIOWPQWHEUMX-UHFFFAOYSA-N	294.439	2.770	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCC[C@@H](C)C1	159451830	BSMJEOGBVZFMLJ-NXEZZACHSA-N	283.803	2.944	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)c2ccc(CN)o2)cc1	159658786	HMALMTQAAKHSDU-GFCCVEGCSA-N	272.348	2.580	70	20	CFID	
C[C@H](CCc1cccn1C)NC(=O)CCCn1cccc1	159707612	PNPYXKYXLWHPEX-OAHLLOKOSA-N	287.407	2.744	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)Cn1nc(C)c(Cl)c1C	159517599	KLUUIHNUXJXJPK-NWDGAFQWSA-N	283.803	2.848	70	20	CFID	
Cc1cccnc1NC(=O)c1ccc(C(=O)NC2CC2)cc1	159745760	YICLHLJSCSDIRM-UHFFFAOYSA-N	295.342	2.535	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)CSc1ccccc1Cl	161267005	BJHKPAQLQPHUHN-NSHDSACASA-N	298.839	2.643	70	20	CFID	
C[C@H](O)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160014634	JZQJRAJPQFZZHJ-BYNSBNAKSA-N	267.413	2.822	70	20	CFID	
CCC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460093591	PNILZNHPLRYODI-VIFPVBQESA-N	273.329	2.720	70	20	CFID	
O=S(=O)(F)c1ccc(-c2ccccc2F)nc1F	536953337	LFGOAYTXHGFXCJ-UHFFFAOYSA-N	273.235	2.685	70	20	CFID	
C[C@@H](CNC(=O)NC1(C)CCC1)N(C)Cc1ccccc1	161118747	ZYNIUCWSKTUYCD-AWEZNQCLSA-N	289.423	2.749	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCc1nc(C)no1	161229338	LFTDUZJALLDTNL-QWHCGFSZSA-N	279.384	2.738	70	20	CFID	
CCOCCCCNC(=O)NCc1nc(C2CC2)cs1	161270109	BEAZZQFPFCUVCK-UHFFFAOYSA-N	297.424	2.636	70	20	CFID	
O=c1onc(-c2cccnc2)n1Cc1ccccc1Cl	161321386	KMOQALXBOKBSPA-UHFFFAOYSA-N	287.706	2.600	70	20	CFID	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C1CCCC1	161474334	XUDCCANLLDSGRW-NWDGAFQWSA-N	282.428	2.622	70	20	CFID	
CCO[C@@H](CCNC(=O)CO[C@@H](C)CC)C1CCCC1	160045968	AKQXYPBANCZEKA-ZFWWWQNUSA-N	285.428	2.903	70	20	CFID	
COc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1	160050425	UWQWWANMNMHUFB-AWEZNQCLSA-N	289.375	2.917	70	20	CFID	
COc1cc(CCC(=O)Nc2ccn(C)n2)ccc1Cl	160237922	JZLMDUXZYFXWJI-UHFFFAOYSA-N	293.754	2.653	70	20	CFID	
CSC[C@H](C)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160627867	ZERPNEKQVYZGQT-STQMWFEESA-N	285.453	2.984	70	20	CFID	
CC(C)c1cc(=O)n(CCCc2ccccc2)cn1	160863278	HBBUIWRPYBHYJL-UHFFFAOYSA-N	256.349	3.000	70	20	CFID	
Cc1cc(-c2nc([C@@H]3CCOC3)no2)cc(C)c1F	160890222	HCDQHYMMKMPFMR-SNVBAGLBSA-N	262.284	2.996	70	20	CFID	
COC[C@@H]1CCCN1C(=O)C1CCC(C)(C)CC1	160977901	MQEPWBHFPSDYDN-ZDUSSCGKSA-N	253.386	2.840	70	20	CFID	
COC[C@H](NC[C@H](C)N1CCc2ccccc2C1)C(C)C	159827166	HNEVJNZEQUGBEJ-YJBOKZPZSA-N	290.451	2.694	70	20	CFID	
CC(C)C[C@H]1CCCCCN1C(=O)C[C@@H]1CCCN1	159919467	VBDCLWPUNKNGCX-LSDHHAIUSA-N	266.429	2.946	70	20	CFID	
Cc1cccnc1C(=O)N[C@H]1CCCc2cc(N)ccc21	159375989	LZJSAJRYPWXXTC-HNNXBMFYSA-N	281.359	2.780	70	20	CFID	
CCCC(C)(C)NC(=O)NCCc1cscn1	159572331	HQQHSUVGSLNIII-UHFFFAOYSA-N	255.387	2.564	70	20	CFID	
COc1cccc([C@H](C)N[C@H]2CCN3CCCC[C@@H]23)c1	217684665	OTNOQBNXTHAQBU-JQFCIGGWSA-N	274.408	2.973	70	20	CFID	
Cc1ccc(CSCC(=O)N[C@@H]2CCC[C@@H]2CO)cc1	217997145	RASCFQCOQMJMOV-HUUCEWRRSA-N	293.432	2.505	70	20	CFID	
CCC(CC)NC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160295011	BOFXCMMJTIREAJ-SNVBAGLBSA-N	282.359	2.940	70	20	CFID	
Cc1nn(C)c(C)c1CNCc1cc(F)cc(F)c1	161322867	NYTQRNSHRHTQQY-UHFFFAOYSA-N	265.307	2.605	70	20	CFID	
CCCCN1CCCC[C@@H]1CNC(=O)C1(CCOC)CC1	161183016	HNKIDYQNVSOSSS-OAHLLOKOSA-N	296.455	2.574	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(C(C)=O)CC1	161212325	LJALJVDTMUZORM-ZBFHGGJFSA-N	294.439	2.672	70	20	CFID	
CCc1ccc([C@@H](C)C(=O)N2CCC[C@H]2CNC)cc1	161230705	JQONZDOUVSYJIG-CJNGLKHVSA-N	274.408	2.563	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCCn2cccc2)n1	161380437	PYKMASSAYJIHAW-UHFFFAOYSA-N	289.383	2.552	70	20	CFID	
CCCn1nc(C)c(C(=O)N[C@@H](C)c2ccccn2)c1C	161408448	FYEKLNCXLSAAAK-NSHDSACASA-N	286.379	2.796	70	20	CFID	
Cc1ccc(CSCCNC(=O)[C@H]2CCCCO2)cc1	160150432	CPVDWEQUKSKUCG-OAHLLOKOSA-N	293.432	2.914	70	20	CFID	
CC[C@@H](NC(=O)[C@H](C)CNC)C(C)(C)c1ccccc1	160762001	RMQBGGOHFOTUPD-UKRRQHHQSA-N	276.424	2.715	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCCc1ccc(C)s1	160767058	SZWOQTWJOFDDTF-NSHDSACASA-N	297.420	2.837	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1N[C@@H](CCCO)c1ccccc1	160773543	LDQRCWZABSOUOI-LMSBXDPUSA-N	290.451	2.819	70	20	CFID	
CS[C@H](CO)[C@@H](C)NC(=O)N[C@H](C)CCCC(C)C	160856578	DMDHMMZWOLMUQX-JHJVBQTASA-N	290.473	2.613	70	20	CFID	
C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)C1	159453083	ZBSFGEQTQUJSBT-BXUZGUMPSA-N	284.363	2.780	70	20	CFID	
Cc1ccccc1C1(C(=O)NCC2(N)CCCCC2)CC1	159482770	AEFVSQYVVXXQJO-UHFFFAOYSA-N	286.419	2.804	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@@H]2CCCO2)C1	159484812	KEHYBFZPWDRIQY-AAEUAGOBSA-N	277.389	2.940	70	20	CFID	
CC(C)(C)c1cc(C(=O)NCC2(C3CC3)CC2)no1	159722408	HOILYDGCUKIZRC-UHFFFAOYSA-N	262.353	2.892	70	20	CFID	
COc1cc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1F	160081698	LCVYXHJBDWXJDB-ZYHUDNBSSA-N	264.344	2.871	70	20	CFID	
CC1(O)CCN(CCC(=O)Nc2ccccc2Cl)CC1	161227433	XROXYEUOWIAPSV-UHFFFAOYSA-N	296.798	2.515	70	20	CFID	
CCOc1ccc(CNC(=O)N[C@@H](C)CC)cc1	217300746	SYJDFVYASYHRGU-NSHDSACASA-N	250.342	2.683	70	20	CFID	
CC1(O)CN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)C1	216979434	MSGPYMBVKYSWJH-IHWYPQMZSA-N	286.158	2.600	70	20	CFID	
CCCNCCNCc1cccc(Br)c1	161366986	MSXVSMPBOBLZPL-UHFFFAOYSA-N	271.202	2.538	70	20	CFID	
CC(C)N(C)C(=O)Cc1cccc(OC(F)(F)F)c1	161023140	GQUNOMFQWHADLY-UHFFFAOYSA-N	275.270	2.995	70	20	CFID	
Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](C)N)c1	161131989	IHTZUZCTGATDRC-QMMMGPOBSA-N	292.326	2.935	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cnc(C(C)(C)C)nc1	161161802	QKZQYXFLYYIZSI-VIFPVBQESA-N	267.398	2.854	70	20	CFID	
CCCc1nnc(NC(=O)N[C@@H]2CCOC(C)(C)C2)s1	161201042	OHQCVMXHNLGQKV-SECBINFHSA-N	298.412	2.570	70	20	CFID	
Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3C)c1F	161451895	YBYHBAMQWZFTIS-CYBMUJFWSA-N	287.338	2.675	70	20	CFID	
CCCn1nccc1CNc1ccc(C(=O)NCC)cc1	160059551	NGSWFIBSYXILJS-UHFFFAOYSA-N	286.379	2.655	70	20	CFID	
CCN(C(=O)C1C2CC3CC(C2)CC1C3)C1CCNCC1	160194759	JCILDXVYMPZPIU-UHFFFAOYSA-N	290.451	2.659	70	20	CFID	
CCOC(=O)C[C@H](C)N(C)c1nc(C(C)(C)C)ns1	160317883	IOHRXSKJXISINP-VIFPVBQESA-N	285.413	2.614	70	20	CFID	
CN(Cc1cccc(F)c1)Cc1cnc2cnccn12	160459642	XEWIBHHXEJOYMW-UHFFFAOYSA-N	270.311	2.500	70	20	CFID	
CCN(Cc1ccoc1)C(=O)Cc1nc(C)sc1C	160645135	RQNSQEILBZRAMH-UHFFFAOYSA-N	278.377	2.944	70	20	CFID	
CCCC1(CNC(=O)CC2(O)CCCCC2)CC1	160750787	CVERKCLMDWRXIW-UHFFFAOYSA-N	253.386	2.768	70	20	CFID	
Cn1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1	160763879	BNCYBDBXTSKLIE-JHJVBQTASA-N	261.369	2.965	70	20	CFID	
CCOC(=O)C1(C(=O)NC[C@@H]2CCC[C@@H](C)C2)CCC1	160785409	IYAIDDRPKIDSIT-CHWSQXEVSA-N	281.396	2.662	70	20	CFID	
CC1(C)C[C@H](NCC[S@](=O)c2ccccc2)C(C)(C)O1	160787912	JALFFFIYLOPXHO-VBKZILBWSA-N	295.448	2.730	70	20	CFID	
CC1(C)CCC(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1	160895942	LOLLMZXWZBGPIV-CYBMUJFWSA-N	294.439	2.718	70	20	CFID	
CC(C)(C)c1nsc(NCCCOC2CCOCC2)n1	159633369	BNJFRECLMGDMEI-UHFFFAOYSA-N	299.440	2.833	70	20	CFID	
CCC[C@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	159844121	PYVNJFMZMIARID-BBWFWOEESA-N	286.419	2.923	70	20	CFID	
COC[C@H](NC(=O)N[C@H]1CCCC[C@H]1C(C)C)C1CC1	159371414	UCPYOWOJENFMIJ-KKUMJFAQSA-N	282.428	2.925	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2CSc3ccccc32)c[nH]c1=O	159566521	HKTQFERCLCIZRF-GFCCVEGCSA-N	286.356	2.511	70	20	CFID	
CCCC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]2CC)CC1	159760508	SUOBYQGBQCTPGH-DZGCQCFKSA-N	294.439	2.720	70	20	CFID	
CSc1cc(C(=O)NCc2ccnc(C)n2)ccc1F	159570220	PWYZJHRMQRZKIY-UHFFFAOYSA-N	291.351	2.576	70	20	CFID	
Cc1ccnc(N[C@H]2CCCc3cc(N)ccc32)n1	159486774	XGJAJVPMRAORNP-AWEZNQCLSA-N	254.337	2.857	70	20	CFID	
C[C@@H](NCc1cc2ccccc2o1)C(=O)N1CCCC1	159700130	QDHFDWFTNXZQDK-GFCCVEGCSA-N	272.348	2.533	70	20	CFID	
O=C(/C=C/c1ccc2c(c1)OCO2)N1[C@H]2C=CC[C@H]1CC2	218702273	PJHXIYNNXFLJIX-OQOLLCEYSA-N	283.327	2.748	70	20	CFID	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)c1ccco1	776368567	XUHGUAPGUJTKIZ-VIFPVBQESA-N	297.307	2.680	70	20	CFID	
CCCCn1ncc(Nc2cc(C)nc(COC)n2)c1C	161122954	IFYRVVLELQPJEO-UHFFFAOYSA-N	289.383	2.980	70	20	CFID	
CCC[C@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl	161151946	QCLUMPYVQIRWJI-UFBFGSQYSA-N	272.751	2.784	70	20	CFID	
CC(C)c1cccc(NC(=O)CN2CCC(C)(O)CC2)c1	161226129	WUFVWPAKBAMGNC-UHFFFAOYSA-N	290.407	2.595	70	20	CFID	
CS[C@@H](C)CNC(=O)C[C@H](C)c1c(C)noc1C	161312043	HWQDUMUGCWOWGB-IUCAKERBSA-N	270.398	2.653	70	20	CFID	
CC(C)(CNC(=O)[C@H]1CCCCO1)c1ccccc1	161459247	QCWRFAPMVFENRB-CQSZACIVSA-N	261.365	2.650	70	20	CFID	
COCCC1(C(=O)N[C@H]2CCOC3(CCCC3)C2)CCC1	160035470	KYODMSLDZHMLNF-AWEZNQCLSA-N	295.423	2.801	70	20	CFID	
CSC[C@H](CCO)N[C@@H]1c2ccccc2C[C@@H]1C	160236744	BYYRBPVKTXEXHP-WHOFXGATSA-N	265.422	2.624	70	20	CFID	
CC(C)OC(=O)CCCNc1nc(C(C)(C)C)ns1	160355983	YTNJUINQNKMCQU-UHFFFAOYSA-N	285.413	2.979	70	20	CFID	
C[C@@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1F	160457934	NIZCEMRQVXCVDT-MELADBBJSA-N	290.382	2.672	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)c1cccc(F)c1	160584578	GUPRMRNTNXOFBD-RYUDHWBXSA-N	295.354	2.777	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1n[nH]c2ccccc12	159803347	HYMQPQIXZLYAJW-GFCCVEGCSA-N	299.374	2.785	70	20	CFID	
CC(C)NCCC(=O)NCCOc1ccccc1C(C)C	159840362	XLPMKPVQANFAKA-UHFFFAOYSA-N	292.423	2.693	70	20	CFID	
COc1cc(F)ccc1NC(=O)NCCc1cscn1	159393122	OGECTDFVKOLAJL-UHFFFAOYSA-N	295.339	2.655	70	20	CFID	
O=C(Cc1ccc(O)cc1)NCCc1cc2ccccc2[nH]1	159587957	RXHPMTSMUCKFAW-UHFFFAOYSA-N	294.354	2.775	70	20	CFID	
CC(C)COCCCNCc1nn(C)c2ccccc12	218081338	QUYVWLLLLCYYOC-UHFFFAOYSA-N	275.396	2.726	70	20	CFID	
Fc1cc(F)cc(CNCCCOC[C@H]2CCCO2)c1	159643298	CQOPSIORNICXCY-OAHLLOKOSA-N	285.334	2.640	70	20	CFID	
CCN(CCCO)C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	160562249	AXUFARYAMMHWML-JSGCOSHPSA-N	279.380	2.567	70	20	CFID	
COC(C)(C)CNc1nccn2nc(C(C)(C)C)cc12	160619219	LISLWXUUXAMLRL-UHFFFAOYSA-N	276.384	2.864	70	20	CFID	
Cc1ccccc1OC[C@H](C)CS(=O)(=O)Cl	108304607	WZPRRLDOZBLXMY-VIFPVBQESA-N	262.758	2.579	70	20	CFID	
O=C(NCc1ccc(O)cc1)c1ccc(C(F)(F)F)cn1	161160884	KJEPPTSFIAXGIN-UHFFFAOYSA-N	296.248	2.736	70	20	CFID	
Cc1ccc(CNC(=O)C[C@H](C)c2ccncc2)cn1	160078796	ZXJVCCIMOQKZOP-LBPRGKRZSA-N	269.348	2.595	70	20	CFID	
O=C([C@H]1CCn2ccnc2C1)N1CCC[C@H]1C1CCCC1	160261358	LYSPVEPXQUGGDR-GJZGRUSLSA-N	287.407	2.627	70	20	CFID	
O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cc(F)ccc1O	160614392	HSWYAUPIOJIWSC-CWRNSKLLSA-N	283.302	2.599	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCOCC(F)(F)F	159562223	OMDSBCBTEALFEW-ZJUUUORDSA-N	267.291	2.650	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1cnc(Cl)c(C)c1	159633894	VMTFVEBREGPCNG-VIFPVBQESA-N	256.733	2.797	70	20	CFID	
Cc1cccc([C@@H](NC(=O)[C@@H]2CCCO2)c2ccccn2)c1	159837281	YVUAXWAWLQUIPE-DLBZAZTESA-N	296.370	2.775	70	20	CFID	
CC(C)CC1(CNC(=O)N(CCN(C)C)C(C)C)CC1	159586489	CLULAUMBVMIZOQ-UHFFFAOYSA-N	283.460	2.794	70	20	CFID	
O=S(=O)(Cl)Cc1ccc(Br)s1	105841323	SJWPWYOELPONBH-UHFFFAOYSA-N	275.576	2.579	70	20	CFID	
O=C(N[C@@H]1CCC[C@H]1O)C1(c2ccccc2)CCCC1	161221651	JFHUQXUGJJGOCQ-HUUCEWRRSA-N	273.376	2.528	70	20	CFID	
COc1ccc(CN(C)CC[C@H]2CCCN2C)cc1	161275392	QYYNBVMIZLRIBY-OAHLLOKOSA-N	262.397	2.611	70	20	CFID	
C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)F)c1	1354886266	SBNATWQHTJHHRQ-PWSUYJOCSA-N	299.367	2.511	70	20	CFID	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2O)cnn1C	161224124	ANRCSGBOXBAGIL-UHFFFAOYSA-N	299.252	2.705	70	20	CFID	
O=C(C1C2CC3CC(C2)CC1C3)N1CCOC[C@H]1C1CC1	161253681	HJGMCOXNBQITFJ-NNOTVXIQSA-N	289.419	2.696	70	20	CFID	
CC(C)(C)c1noc(Cn2nc(C3CC3)nc2C2CC2)n1	161453840	MMJABOWDGIHFDE-UHFFFAOYSA-N	287.367	2.762	70	20	CFID	
CC(C)(C)c1nsc(N[C@@H]2CCCCC[C@@H]2C(N)=O)n1	160034659	XQOCJVVUWYTOMI-VHSXEESVSA-N	296.440	2.682	70	20	CFID	
CC(C)NCCC(=O)Nc1ccc2nn(C(C)C)cc2c1	160068772	CQWKJIFEIMRSNG-UHFFFAOYSA-N	288.395	2.944	70	20	CFID	
COCc1ccccc1C(=O)NCCc1cccc(O)c1	160184504	RYZLIDZLSDVNPT-UHFFFAOYSA-N	285.343	2.511	70	20	CFID	
O=C(NCc1ccccc1)Nc1ccn(CC(F)(F)F)n1	160401653	ASTZXXNALZXBDE-UHFFFAOYSA-N	298.268	2.767	70	20	CFID	
CC1CCN(CCNC(=O)[C@@H]2CCC[C@H](C)C2)CC1	160552690	ODIYJYDJYYXVGV-LSDHHAIUSA-N	266.429	2.661	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C1CCCC1)C1CC1	160780135	WDHOHLPAEXBMDL-UHFFFAOYSA-N	273.442	2.607	70	20	CFID	
CC(C)(C)C1=CCN(C(=O)NCC(F)(F)F)CC1	160795034	FBTMOUZOHVJKMX-UHFFFAOYSA-N	264.291	2.937	70	20	CFID	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCC2CC2)C1	159641647	VXVDLIPEZSDQJO-CHWSQXEVSA-N	296.411	2.596	70	20	CFID	
CC(C)[C@H](O)C(C)(C)CNC(=O)NCC1(C)CCC1	159583189	LVNKUMWLWUOHIU-LBPRGKRZSA-N	270.417	2.519	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1c(C)nc2sc(C)cn12	217397765	KIPGDTOWJKTEGO-LLVKDONJSA-N	294.468	2.833	70	20	CFID	
CCC(C)(C)OCC(C)(C)CS(=O)(=O)Cl	114472812	IZVLYEIXAGGQMD-UHFFFAOYSA-N	256.795	2.786	70	20	CFID	
COc1ccc(-c2noc([C@@H]3CCC(=O)C[C@H]3C)n2)cn1	161011542	LPUULOPFJXXWMA-BXKDBHETSA-N	287.319	2.613	70	20	CFID	
O=C(NCc1ccncc1)c1cc(F)c(Cl)cc1F	161341454	HCIGMQSTPKGGAR-UHFFFAOYSA-N	282.677	2.943	70	20	CFID	
CC[C@@](C)(O)CN1CCC(Nc2cccc(OC)c2)CC1	161347295	GHBGLKXZRBLHDZ-QGZVFWFLSA-N	292.423	2.733	70	20	CFID	
CCCc1ccccc1NC(=O)CS(=O)(=O)C(C)(C)C	160067707	NSQSJKHYLHBOFG-UHFFFAOYSA-N	297.420	2.791	70	20	CFID	
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)N	160078143	ATIKFGGYBGUORR-GWCFXTLKSA-N	268.788	2.843	70	20	CFID	
CN1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	160244035	FIUKUXANKKLNSR-RRFJBIMHSA-N	278.440	2.803	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(C)c1C)CC2	160350809	RYEFIMYGXVDAOT-DZGCQCFKSA-N	284.407	2.869	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cccs1	160427905	NINDTEBQOJTXML-GFCCVEGCSA-N	266.410	2.598	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)CC(C)(C)C	160428024	YZRNYBLWPDMYJL-CYBMUJFWSA-N	254.418	2.659	70	20	CFID	
CCOc1ccc(CCC(=O)N[C@H](CCO)C(C)C)cc1	160461247	HAWBMNUBGKWYMR-MRXNPFEDSA-N	293.407	2.541	70	20	CFID	
CCC1(CC)[C@H](NC(=O)NC[C@@H](C)SC)C[C@H]1OC	160645979	DBLWCOLBFKKVQM-IJLUTSLNSA-N	288.457	2.631	70	20	CFID	
CC[C@H](C)NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	160968082	VOVCOCKDUMOWBH-ZFWWWQNUSA-N	292.423	2.886	70	20	CFID	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@@H]2CC2(C)C)C1	160901211	JVQUQMHVKDOZFH-RQJABVFESA-N	266.429	2.515	70	20	CFID	
Cc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1O	159545756	ILVTZPJAZMZBFN-OWCLPIDISA-N	279.339	2.769	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)NC[C@@H]1CCCN1CC	159578468	MEZQOEXTHCUHFE-HOCLYGCPSA-N	296.455	2.715	70	20	CFID	
CCCCn1ncc(NC(=O)NCC[C@@H](O)C(C)C)c1C	159787129	WVMCZCJVGLQWMR-CQSZACIVSA-N	296.415	2.520	70	20	CFID	
Cc1ccc(CCNC(=O)[C@H](C)c2cccs2)cn1	159790952	ZNPSVVJUWVRRLT-GFCCVEGCSA-N	274.389	2.914	70	20	CFID	
CCOCCCN(Cc1ccco1)C[C@H]1CCCO1	159587255	NDVCZSWBHYEXDH-OAHLLOKOSA-N	267.369	2.687	70	20	CFID	
FC(F)(F)c1nnc(N[C@@H]2CCN3CCCC[C@@H]23)s1	160327050	WDKZMHPDOKXGJP-SFYZADRCSA-N	292.330	2.596	70	20	CFID	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)N1CCN(CC2CC2)CC1	217185079	ZBUPQBPCHNTAOJ-IJEWVQPXSA-N	293.455	2.548	70	20	CFID	
CCN(CCCN1CCCCC1)Cc1ccoc1	160835895	WYVAQXATKMKLJY-UHFFFAOYSA-N	250.386	2.978	70	20	CFID	
CC[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ncc[nH]1	218078405	ORZHIFHXFJLHCL-AAEUAGOBSA-N	257.337	2.781	70	20	CFID	
Cc1c(C(=O)N2CCC(C)(O)CC2)oc2ccc(F)cc12	161250759	YLPVVOOLZIFGAL-UHFFFAOYSA-N	291.322	2.867	70	20	CFID	
CC(C)CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160416910	OUFLZCNMEKWIRS-CQSZACIVSA-N	278.352	2.632	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC=CCC1	160505578	LBDDWUHCKWRPIW-LSDHHAIUSA-N	264.413	2.579	70	20	CFID	
CCC(CC)CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1	160591053	WSBUETPFILVIKM-CQSZACIVSA-N	294.399	2.620	70	20	CFID	
Cc1ccc(CN(C)Cc2cnc3cnccn23)cc1	160635698	FKLCHQNGSLWMRJ-UHFFFAOYSA-N	266.348	2.670	70	20	CFID	
CN(C)c1ccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1	160691903	MUHMIZQVWOOLQK-CYBMUJFWSA-N	291.395	2.832	70	20	CFID	
C[C@H]1CCC[C@@H](NC(=O)NC[C@H](O)c2ccsc2)[C@@H]1C	160877778	PDXZISTURGEBJR-UNJBNNCHSA-N	296.436	2.905	70	20	CFID	
C[C@H](c1nc(-c2cnccn2)no1)c1c(F)cccc1F	160891770	QWYLHLNLPIQEFE-QMMMGPOBSA-N	288.257	2.957	70	20	CFID	
CCOc1ncccc1CNC(=O)[C@H]1C[C@@]1(C)CC	160998654	TVTDQZAAHQPHLZ-IUODEOHRSA-N	262.353	2.533	70	20	CFID	
COCCOc1cccc(CC(=O)N2CCCC[C@H]2C)c1	159627687	SOMJSBYJXHCCCI-CQSZACIVSA-N	291.391	2.655	70	20	CFID	
CCOC[C@@H](O)CN[C@H](C)c1ccc(SCC)cc1	159638112	SWQAGQCJSGUYFA-OCCSQVGLSA-N	283.437	2.847	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](C)[C@@H]2CCCO2)c1C	159713989	XYNQNCWHSBBBKJ-RISCZKNCSA-N	294.399	2.681	70	20	CFID	
CCN1CCC(NC(=O)[C@H](C)OC2CCCCCC2)CC1	159585684	GHPOQENKKNLMJQ-AWEZNQCLSA-N	296.455	2.715	70	20	CFID	
CC[C@H](C)N(C)CCNCc1c(C)nc2sc(C)cn12	217397840	KIPGDTOWJKTEGO-NSHDSACASA-N	294.468	2.833	70	20	CFID	
O=C(c1cc(F)ccc1O)N1CC=C(C(F)(F)F)CC1	160599244	QEKOHNLNLBKLOF-UHFFFAOYSA-N	289.228	2.866	70	20	CFID	
CC[C@@H](C)CN(CC)[C@H](C(=O)OC)c1cccnc1	160571002	CTTIXNHJDIYATH-OCCSQVGLSA-N	264.369	2.664	70	20	CFID	
CN(C(=S)NC1CCCCC1)[C@H]1CCSC1	160044722	BCACDMDJBINIKC-NSHDSACASA-N	258.456	2.631	70	20	CFID	
CC(C)NC(=O)C(=O)Nc1ccccc1SC(C)C	161003053	NTABBBDBFOZSOI-UHFFFAOYSA-N	280.393	2.650	70	20	CFID	
CCOc1ccccc1CNC(=O)c1ccnn1C(C)C	161019479	JRUJGPHFJJDRJS-UHFFFAOYSA-N	287.363	2.793	70	20	CFID	
C[C@@H]1C[C@H](NC(=O)C2CCC(C)(C)CC2)CN1C1CC1	161105413	QTGLZDHKLQFNKF-OCCSQVGLSA-N	278.440	2.944	70	20	CFID	
CCCN(CCO)Cc1cccn1CCC(C)C	161237114	SGSUTVXNGYRFGK-UHFFFAOYSA-N	252.402	2.739	70	20	CFID	
O=C(/C=C/c1c(F)cccc1F)N1CCOC[C@H]1C1CC1	161252067	TWOUPFGHDWUETM-LFAOLKIESA-N	293.313	2.615	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NCCC(=O)NC1CCCC1	161414033	MTOZYYUIPYRERR-ZFWWWQNUSA-N	266.429	2.994	70	20	CFID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)c1cnn(C)c1	160038001	SGDFMMFKVHNKBI-OAHLLOKOSA-N	288.395	2.843	70	20	CFID	
CCc1ccc([C@@H](C)NCCN2CCC(N(C)C)CC2)o1	160295253	YQXHPZONDVYZIK-CQSZACIVSA-N	293.455	2.519	70	20	CFID	
C[C@@H](NC[C@H](C1CCCCC1)N(C)C)c1cnccn1	160402952	LRIHMFFEYMIFAK-CZUORRHYSA-N	276.428	2.638	70	20	CFID	
Cc1ccc(C)c(CC(=O)N(C)Cc2cccn2C)c1	160484968	OKZLZOVXDGNVGA-UHFFFAOYSA-N	270.376	2.843	70	20	CFID	
CCOCCNC(=O)c1ccc(CN(CC)C(C)C)cc1	160494898	KXMFFWVEAPHVJQ-UHFFFAOYSA-N	292.423	2.683	70	20	CFID	
CCc1cc(C(=O)N2[C@H](C)COC[C@H]2C)oc1CC	160637552	JESXLFWOOMGMBO-GHMZBOCLSA-N	265.353	2.654	70	20	CFID	
CC[C@H](O)CCNC(=O)N[C@@H](C)c1cc(C)ccc1OC	160802999	LTJWZPDGGOJNIS-STQMWFEESA-N	294.395	2.525	70	20	CFID	
CCc1ncnc(N2CCc3c(F)cccc3C2)c1F	160931094	PHVBNWWVJGKUQI-UHFFFAOYSA-N	275.302	2.880	70	20	CFID	
C[C@@H](NC[C@@H]1CCc2ccccc21)c1cnccn1	160973047	WGKSUKLEADHCLC-OCCSQVGLSA-N	253.349	2.857	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@@H](C)c2nc(C)cs2)CCO1	160973524	IOENBCWLDBKXRC-NWDGAFQWSA-N	297.424	2.723	70	20	CFID	
CCC[C@@H](CCO)CNC(=O)c1ccn(C2CCCC2)n1	159836849	GGPSAPFINOTYMW-ZDUSSCGKSA-N	293.411	2.527	70	20	CFID	
CC(C)OC(=O)CSc1nc(C(C)(C)C)ns1	159641279	LVZMZUPWOZECFQ-UHFFFAOYSA-N	274.411	2.879	70	20	CFID	
Cc1cc(NC(=O)c2ccc(Cl)cc2)c[nH]c1=O	159687901	JKIKOKARJPHFME-UHFFFAOYSA-N	262.696	2.589	70	20	CFID	
CC[C@H](NC(=O)[C@H](C)OCC1CC1)c1c(C)noc1C	159969706	CQDYASVOQAJLCM-AAEUAGOBSA-N	280.368	2.674	70	20	CFID	
CCCCS(=O)(=O)N(C)[C@H](CC)c1ccncc1	159795791	MXUBDXHXFZWMNT-CYBMUJFWSA-N	270.398	2.594	70	20	CFID	
Cc1cc(C)cc([C@@H](C)NCC(=O)NCC(F)(F)F)c1	160519376	QCLSMAXFFMKMKU-LLVKDONJSA-N	288.313	2.633	70	20	CFID	
O=S(=O)(Cl)CCCOCc1ccccc1Cl	112395369	ZOHRQWAYZNYWCB-UHFFFAOYSA-N	283.176	2.815	70	20	CFID	
CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)F)cc1	865206210	YZCVSIMAEIXKKV-UHFFFAOYSA-N	287.356	2.511	70	20	CFID	
CC(=O)NC1CCC(NCCc2ccc(Cl)cc2)CC1	161213542	RBXAKVGKNQNNTI-UHFFFAOYSA-N	294.826	2.919	70	20	CFID	
CCO[C@H]1C[C@@H](NC(=O)C(CC)(CC)CN)C12CCCC2	161235142	CPOPBVSPAWYIAW-KGLIPLIRSA-N	296.455	2.606	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C1CCC(C)(C)CC1	161236297	UGCXVMCGBQJUTC-NSHDSACASA-N	269.385	2.661	70	20	CFID	
CCCc1ncc(C(=O)Nc2ccc(OC)c(N)c2)s1	161401585	FYCWSZFUZPQVEB-UHFFFAOYSA-N	291.376	2.939	70	20	CFID	
C[C@@H](Cc1ccccc1F)C(=O)NCCCC(C)(C)CO	160363030	JGHVRIBEYFCFPD-ZDUSSCGKSA-N	295.398	2.919	70	20	CFID	
CC(C)N(C(=O)C[C@H](C)C1CCNCC1)C1CCC1	160561844	BTFSWYSNSKPUSL-ZDUSSCGKSA-N	266.429	2.802	70	20	CFID	
CC[C@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1	160776574	KMJCUJAUJFNLGP-FUHWJXTLSA-N	286.419	2.740	70	20	CFID	
CC(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H](N)C1	160874187	NSYJCYBAHYCXEP-ILXRZTDVSA-N	266.429	2.931	70	20	CFID	
COc1cccc(COc2cccc(NCCO)c2C)c1	159697013	UAETXMFFJHPRMT-UHFFFAOYSA-N	287.359	2.987	70	20	CFID	
CCN1CCCN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1	159908946	RKTGLLNPDOZQNJ-CVEARBPZSA-N	293.455	2.692	70	20	CFID	
CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@@H]1CCCC1(C)C	159580528	VYEHTZUXZAKYDQ-CHWSQXEVSA-N	284.444	2.907	70	20	CFID	
CCC[C@H](CCO)CNc1ccc(C(F)(F)F)nn1	218051634	YATSJVDMZNTUJS-SECBINFHSA-N	277.290	2.706	70	20	CFID	
COCCOCCN(Cc1ccccc1)C(=O)C=C(C)C	160201853	BWRDLVPSHWCGEP-UHFFFAOYSA-N	291.391	2.644	70	20	CFID	
CCOCCNC(=O)c1cccc(C)c1Br	160010403	MZRMOQFUGHXDMP-UHFFFAOYSA-N	286.169	2.524	70	20	CFID	
CC1(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCCCC1	161102032	NBFSCGYOGDUKKG-MCIONIFRSA-N	292.423	2.966	70	20	CFID	
CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CCC[C@H](C)C2)CC1	160066723	RXNJOXKLLQIAKX-UONOGXRCSA-N	294.439	2.576	70	20	CFID	
CCCOc1cccc(C(=O)NCC2(CO)CCCC2)c1	160281729	RQKWSIVISPDXDJ-UHFFFAOYSA-N	291.391	2.758	70	20	CFID	
C[C@@H](C(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccsc1	160321839	UBQCYCUPWOUAKN-SECBINFHSA-N	286.356	2.985	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2	160580257	YGRXEUWFJVUXDQ-BVUBDWEXSA-N	290.455	2.952	70	20	CFID	
CC1=C(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CCCO1	160724604	NAZNXVJPTDPEHP-IXDOHACOSA-N	283.371	2.915	70	20	CFID	
Cc1nnc([C@H](C)ONC(=O)CCCc2ccccc2)o1	160785107	OYABYFOSVBYNSR-NSHDSACASA-N	289.335	2.510	70	20	CFID	
CCOC(=O)CCCNC(=O)[C@@H](C)c1cccc(C)c1	159413521	PQMKFLZMGDOUDN-ZDUSSCGKSA-N	277.364	2.558	70	20	CFID	
O=C(C[C@@H]1CCCN1)N[C@@H]1CCC[C@H]1Cc1ccccc1	159449983	ILTUJCQBTGRQRL-YESZJQIVSA-N	286.419	2.656	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccn(-c2cccc(F)c2)n1	159655393	IAKGHCFNRZUXHH-UHFFFAOYSA-N	299.349	2.931	70	20	CFID	
COC(=O)CCN(CCC(=O)c1ccc(C)cc1)C(C)C	159664877	IRQLSUPVHFTNKQ-UHFFFAOYSA-N	291.391	2.841	70	20	CFID	
CCOC(=O)CN(Cc1sc(C)nc1C)CC(C)C	159708555	QIYBNGIJAUHYPO-UHFFFAOYSA-N	284.425	2.781	70	20	CFID	
COCC[C@H](C)NC(=O)c1ccc(Cl)cc1C	159717156	DXHJJAWPZXWQGJ-JTQLQIEISA-N	255.745	2.803	70	20	CFID	
CC[C@H](N)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1	159913046	HEQHISUMHPVZHC-LSDHHAIUSA-N	260.381	2.786	70	20	CFID	
COc1ccc(N(C)C(=O)c2ccc(O)nc2)cc1Cl	159936097	TXQLGNMULFFHCO-UHFFFAOYSA-N	292.722	2.726	70	20	CFID	
C[C@H](O)C[C@@H](C)CNc1nc(C(C)(C)C)ns1	159596929	SDMOHTKEFIVWIC-BDAKNGLRSA-N	257.403	2.655	70	20	CFID	
CCCn1nccc1CNCCc1ccccc1F	159961901	OATVEWXXKBDVQM-UHFFFAOYSA-N	261.344	2.765	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)CC2CCCCCC2)C1	160890632	QQEUOVGZPVHXNS-KGLIPLIRSA-N	252.402	2.733	70	20	CFID	
CCOC(=O)CCCN(CC)c1ccc(F)cc1	216707669	BMOMLFXLMJEYMU-UHFFFAOYSA-N	253.317	2.995	70	20	CFID	
CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2C)C1	1262782042	UQAYJGOGRSMMSK-NSHDSACASA-N	299.367	2.525	70	20	CFID	
CC[C@@H](NC(=O)[C@H](N)C(C)C)c1ccc(F)cc1F	161209937	BGFKKJSQVLRMIO-CHWSQXEVSA-N	270.323	2.515	70	20	CFID	
CC(C)OC(=O)c1ccn(Cc2ccccc2F)c(=O)c1	161040157	FJOOTBOSLBVGRE-UHFFFAOYSA-N	289.306	2.601	70	20	CFID	
C[C@@H](SCc1nncn1C)c1ccccc1F	161043259	AXRIODYPLLUPFV-SECBINFHSA-N	251.330	2.949	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)CC2CC2)o1	161290230	WHKCOKBQVSQXKY-ZDUSSCGKSA-N	263.337	2.890	70	20	CFID	
CCCCCC(=O)Nc1ccccc1N(C)S(C)(=O)=O	161393430	SCVCOIYKWBKSEZ-UHFFFAOYSA-N	298.408	2.601	70	20	CFID	
CCO[C@H](C)c1nccn1Cc1cnc(C)s1	161474935	YPMKSUXAQRANEE-SECBINFHSA-N	251.355	2.794	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(F)nc1	160400253	LZXXEQWKYSIILQ-MRVPVSSYSA-N	277.299	2.958	70	20	CFID	
CCOc1ccc(N[C@H](C)C(=O)OC(C)(C)C)cc1CO	160802572	GBYHQLSHAYJWTC-LLVKDONJSA-N	295.379	2.720	70	20	CFID	
CS[C@H](CO)[C@H](C)NC(=O)N[C@@H](C)CCCC(C)C	160856449	DMDHMMZWOLMUQX-RWMBFGLXSA-N	290.473	2.613	70	20	CFID	
CCN(Cc1cncs1)C[C@@H]1COc2ccccc2O1	160949708	JVZBZSPQDHLRGA-GFCCVEGCSA-N	290.388	2.805	70	20	CFID	
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c[nH]c(=O)c(C)c2)C1(C)C	159614186	SRZMOCDEDBEDNG-OLZOCXBDSA-N	274.364	2.860	70	20	CFID	
CC(C)CCNC(=O)[C@@H](C)Nc1ccn(CCC(C)C)n1	159885435	BVCDQLNUKHLGTK-CQSZACIVSA-N	294.443	2.892	70	20	CFID	
c1ccc2c(c1)CC(NCc1cn3ccccc3n1)C2	159426975	MGIZGNPCKIWPFK-UHFFFAOYSA-N	263.344	2.591	70	20	CFID	
CCc1nc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n[nH]1	160545614	MSMQTEBSCDJIQB-YNEHKIRRSA-N	264.417	2.918	70	20	CFID	
Cc1cscc1C(=O)Nc1ccc(Cl)nn1	160191615	VLSQLNYPVYLNEN-UHFFFAOYSA-N	253.714	2.752	70	20	CFID	
Cc1ccc(NC(=O)[C@@H](C)C2CC2)cc1S(=O)(=O)F	857675382	LPYDITLZWAVVBR-VIFPVBQESA-N	285.340	2.638	70	20	CFID	
COC(=O)N(C)c1ccc(NC(=O)C[C@H](C)SC)cc1	161027538	PBJXWCXDYJCECH-JTQLQIEISA-N	296.392	2.969	70	20	CFID	
COc1cc(C(=O)N[C@@H](C)CCC(C)C)cc(OC)c1O	161286880	CBCWVTYZVXCTIC-NSHDSACASA-N	295.379	2.964	70	20	CFID	
C[C@@H]1OCCN(C(=O)C2CCC(C)(C)CC2)[C@H]1C	161297926	VNFUTKUSDAISCF-RYUDHWBXSA-N	253.386	2.839	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@H]1c1ccccc1	161389425	ODPFQTNNCCBJAN-LSDHHAIUSA-N	259.349	2.919	70	20	CFID	
CC(C)(C)c1nsc(N[C@H]2CCCCC[C@H]2C(N)=O)n1	160034991	XQOCJVVUWYTOMI-ZJUUUORDSA-N	296.440	2.682	70	20	CFID	
CC(C)C(=O)N1CCC(NC(=O)[C@H]2CCC[C@H](C)C2)CC1	160066469	RXNJOXKLLQIAKX-KBPBESRZSA-N	294.439	2.576	70	20	CFID	
CN(CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCOC1	160068161	OFMFOKIBAWQRQS-GFCCVEGCSA-N	289.297	2.848	70	20	CFID	
Cc1cccc(C)c1CNc1ccc(OCC(N)=O)cc1	160417631	BBPNGHZJNGZUDW-UHFFFAOYSA-N	284.359	2.780	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CCC[C@H](C)C1	159451702	BSMJEOGBVZFMLJ-UWVGGRQHSA-N	283.803	2.944	70	20	CFID	
C[C@H](N[C@H]1CCN2CCCC[C@@H]12)c1cccc(O)c1	217687614	GGXFZWPPOZNQBR-RCBQFDQVSA-N	260.381	2.670	70	20	CFID	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N1CCN(CC2CC2)CC1	217185093	ZBUPQBPCHNTAOJ-YCPHGPKFSA-N	293.455	2.548	70	20	CFID	
COc1ccc([C@H]2CCN(CCOCC3CC3)C2)cc1	160032618	SUCLLBVUBVYHDL-INIZCTEOSA-N	275.392	2.911	70	20	CFID	
O=S(=O)(Cl)C[C@H](F)c1ccc(OC(F)F)cc1	1537958976	QXESHYOIWKBMDO-QMMMGPOBSA-N	288.674	2.867	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCC(=O)OC(C)C	160078548	MIRZQPFQDVLFCI-NEPJUHHUSA-N	295.404	2.618	70	20	CFID	
COc1cc(N[C@H]2CCOC3(CCOCC3)C2)ccc1F	160303001	USUBKRDSMYOLMB-ZDUSSCGKSA-N	295.354	2.974	70	20	CFID	
CCC(N)(CC)CNC(=O)c1cc(-c2ccccc2)on1	160454658	UARHHITUYYHPRN-UHFFFAOYSA-N	287.363	2.589	70	20	CFID	
C[C@H](NC(=O)[C@@H]1CCC[C@@H]1N)c1ncc(-c2ccccc2)o1	160474486	ZOLNAFCEYIDHAK-YUTCNCBUSA-N	299.374	2.646	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H](C)Cc1cccc(F)c1	160495937	HDICWCJXEPQIGZ-GFCCVEGCSA-N	280.387	2.638	70	20	CFID	
CN(C(=O)c1ccc2[nH]ncc2c1)c1ccc2c(c1)OCO2	160590586	QZKMEKMYGYTRLF-UHFFFAOYSA-N	295.298	2.568	70	20	CFID	
C[C@@H]1CCCN(C(=O)N(C)CCC(F)(F)F)C1	160638256	GWQVTDDQABVBFW-SECBINFHSA-N	252.280	2.723	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(CSC)cc1	160666044	YNGIFXIQGNVERB-NSHDSACASA-N	295.404	2.621	70	20	CFID	
COc1cccc(C[C@@H](NCCO)c2ccccc2)c1	159684599	KIEKTUPKWJMEKZ-QGZVFWFLSA-N	271.360	2.561	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2	159744865	WYLAYFJFGISVQZ-RISCZKNCSA-N	288.391	2.562	70	20	CFID	
Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@H]2CCCN2)c1	159970590	RTDKPMWLGXVSBI-LSDHHAIUSA-N	274.408	2.965	70	20	CFID	
Cc1c(CCC(=O)NC[C@H]2CCCC[C@H]2C)cnn1C	159983663	NZLLAVSVOFPQOI-TZMCWYRMSA-N	277.412	2.604	70	20	CFID	
C1CC[C@@H](c2noc(CC[C@H]3CCCNC3)n2)SC1	160644290	ODZOFKHJLPNLGE-NEPJUHHUSA-N	281.425	2.960	70	20	CFID	
CSc1ccc(C)c(C(=O)N[C@H]2CCC[C@H](N)C2)c1	160881635	LYBZZCHLAQJZQW-RYUDHWBXSA-N	278.421	2.717	70	20	CFID	
C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CCO)C(C)(C)C	161177567	NLADPDUGOJVGQE-AGIUHOORSA-N	270.417	2.661	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc2ccccc2[nH]1	160758025	ZWTGGFCMUWDAMC-UHFFFAOYSA-N	267.332	2.779	70	20	CFID	
Cc1nnc(CSc2ccc(Br)cn2)n1C	161035929	FAKYZKQFYNTGPL-UHFFFAOYSA-N	299.197	2.573	70	20	CFID	
CC(C)(N)CNC(=O)c1ccc(Oc2ccccc2)o1	160029093	AIGZACQQGURHNS-UHFFFAOYSA-N	274.320	2.539	70	20	CFID	
CCCn1nc(C)c([C@H]2NC(=O)c3ccccc3N2)c1C	160143959	NDMFYNMYFOGMQK-OAHLLOKOSA-N	284.363	2.764	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)[C@@H]1CCCCO1	160160249	FEPUHYMSLGZTEH-RYUDHWBXSA-N	265.378	2.811	70	20	CFID	
CN[C@@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1	160606310	FFFSEMKIRFJHTM-ROLFPQFPSA-N	299.201	2.827	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(Cl)c(C)c1	160634011	WPFRHCWRXAUHBP-JTQLQIEISA-N	283.755	2.720	70	20	CFID	
C[C@@H]1CCC[C@H](OCC(=O)N(C)Cc2cccn2C)C1	160904734	RUMWSNWJBYJDQM-HIFRSBDPSA-N	278.396	2.579	70	20	CFID	
C[C@@H](CCO)CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl	160994283	IKEUDSHQBFXBPB-UHTWSYAYSA-N	281.783	2.578	70	20	CFID	
CC(C)(C)C(=O)CNC(=O)[C@H](c1ccccc1)C1CC1	159508800	HBYUOTQOGODWRM-OAHLLOKOSA-N	273.376	2.912	70	20	CFID	
CCc1noc(CSCc2c(CC)noc2C)n1	159714200	SGEQVNZDVXBTFE-UHFFFAOYSA-N	267.354	2.924	70	20	CFID	
CCCCN(C)CCNC(=O)[C@@H](C)c1ccsc1	159952300	SWHFZJCYSXNKNR-LBPRGKRZSA-N	268.426	2.700	70	20	CFID	
Cc1nccc(NC(=O)N[C@H](CO)C(C)(C)C)c1Cl	159953941	VALDXCJBERDHLQ-SNVBAGLBSA-N	285.775	2.572	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NC2CCN(C3CC3)CC2)C1	159370577	YJQQMHMAVRSMOJ-CHWSQXEVSA-N	264.413	2.556	70	20	CFID	
C[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1	159386387	IJHOBHKXTZMPJI-DZGCQCFKSA-N	287.407	2.523	70	20	CFID	
C[C@H](CNCc1cccc2cc[nH]c12)CN1CCCC1	218117848	DFZFYTVNBBDOCD-CQSZACIVSA-N	271.408	2.989	70	20	CFID	
NC[C@@H](Nc1nnc(C(F)(F)F)s1)C1CCCCC1	160390320	BJXJOJDKSOQSSI-MRVPVSSYSA-N	294.346	2.876	70	20	CFID	
O=C(CC1CCCCCC1)N1CCCC2(C1)OCCO2	160820189	ADWCKKASPJUYRR-UHFFFAOYSA-N	281.396	2.712	70	20	CFID	
CC(C)C1(CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1	160818634	DYXCPGKMKJBJPT-ZFWWWQNUSA-N	274.408	2.875	70	20	CFID	
CCOc1ccccc1[C@@H](C)NCc1cnn(C)c1C	161309612	BITTZBZWRRFBPX-GFCCVEGCSA-N	273.380	2.978	70	20	CFID	
C[C@@H](Cc1ccc(O)cc1)NC1CCC2(CC1)OCCO2	161460333	PYAZCVSQNZLEKS-ZDUSSCGKSA-N	291.391	2.599	70	20	CFID	
O=C(c1cc(Cl)sc1Cl)N1CCOCC1	218188039	GTJWKPARTJQONX-UHFFFAOYSA-N	266.149	2.527	70	20	CFID	
Cc1cc(C)c(C(=O)Nc2cccc(S(=O)(=O)F)c2)o1	460091940	LJQQOPXICUQBIG-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
Cc1ccc(NC(=O)CC(F)(F)F)cc1S(=O)(=O)F	857675638	VMJHCFMALXGCKJ-UHFFFAOYSA-N	299.245	2.544	70	20	CFID	
CCCCNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	161040166	ADRILQDKBJPHRG-QLFBSQMISA-N	258.365	2.814	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)no1	161214399	HAWDCIJRHYIUEL-SECBINFHSA-N	290.294	2.513	70	20	CFID	
C[C@@]1(C(=O)NCc2ccc3ccccc3c2)CCCNC1	161355625	DYPCHBAEFCXVAV-GOSISDBHSA-N	282.387	2.846	70	20	CFID	
C/C(=C/c1cccnc1)c1nc2sccc2c(=O)[nH]1	161464694	ADGVLPLGSGJCDR-CLFYSBASSA-N	269.329	2.940	70	20	CFID	
CSc1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1	160119060	BHJBNSBPXBUBRP-ZDUSSCGKSA-N	266.366	2.709	70	20	CFID	
CCCc1cc(C(=O)Nc2cccc(OCCF)c2)[nH]n1	160537778	UTNPTNJOCCBQHO-UHFFFAOYSA-N	291.326	2.963	70	20	CFID	
COCCN(CCCc1cccc(OC)c1)CC(F)F	160553851	QXFVHNBCBJYCNC-UHFFFAOYSA-N	287.350	2.841	70	20	CFID	
Cc1ncccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159493765	UKWLQELRXRNNTF-CYBMUJFWSA-N	274.364	2.612	70	20	CFID	
CC[C@H](NC[C@H](C)N1CCc2ccccc21)c1cnn(C)c1	159903360	RDDKSSAIUYDYJA-YOEHRIQHSA-N	298.434	2.912	70	20	CFID	
CC(C)C[C@@H](C)OCCC(=O)N1CCC[C@H]1C(C)(C)O	159934759	VUNCIQKSSGQVKH-KGLIPLIRSA-N	285.428	2.590	70	20	CFID	
CC[C@H](CC(=O)N(C)CCOC)c1ccc(OC)cc1	159958148	YAJWNXLPQOJJLQ-CYBMUJFWSA-N	279.380	2.684	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(CCNC(C)C)n1	159965403	PCBBUUYPPDNJQV-OAHLLOKOSA-N	289.379	2.736	70	20	CFID	
Cc1conc1NC(=O)C(=O)NCCCCCCC(C)C	159971795	WVNSQKBZKBYNMO-UHFFFAOYSA-N	295.383	2.644	70	20	CFID	
CO[C@@]1(CNCc2ccc(C(F)F)cc2)CCOC1	160106869	IUZQNGUMVQULGV-CQSZACIVSA-N	271.307	2.519	70	20	CFID	
CN(C)C1(CN[C@@H]2CCCc3cccnc32)CCCC1	160710329	ONXGLVMJGZMOMV-OAHLLOKOSA-N	273.424	2.923	70	20	CFID	
CCC(CC)CNC(=O)N(C[C@@H]1CCOC1)C1CC1	160556499	YSJFBADXDVHILB-ZDUSSCGKSA-N	268.401	2.633	70	20	CFID	
C[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460097080	YWUTXLIPHOYTCE-ZJUUUORDSA-N	285.340	2.720	70	20	CFID	
O=S(=O)(Cl)C[C@H]1CCC[C@H](C(F)(F)F)C1	156944051	XQXMCMNDICVDMM-BQBZGAKWSA-N	264.696	2.924	70	20	CFID	
Cn1nccc1CNCC1C2CC3CC(C2)CC1C3	216898437	KWMFCWPJDIXATC-UHFFFAOYSA-N	259.397	2.582	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(C)nn1C	161224366	XFMVLGGSXXVAGI-CHWSQXEVSA-N	263.385	2.769	70	20	CFID	
Cc1noc(Cl)c1CC(=O)NC[C@@H]1CC=CCC1	161309486	QWXXLBRZDZHMOU-SNVBAGLBSA-N	268.744	2.651	70	20	CFID	
CCN1CC[C@@H](NCCOc2ccccc2C)[C@H](C)C1	161329626	HNNBBESTKBSMGP-HZPDHXFCSA-N	276.424	2.694	70	20	CFID	
CCCn1nccc1CN[C@@H](Cn1ccnc1)C(C)(C)C	160085247	YMXQIEUJTGWJPM-HNNXBMFYSA-N	289.427	2.694	70	20	CFID	
Cc1noc(CCC(=O)N[C@H]2CCCc3sccc32)n1	160112759	RTYGIYNAVLIHLX-NSHDSACASA-N	291.376	2.566	70	20	CFID	
CC1(C)CCCN1C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160269084	IIVQJRWNWMERLU-STQMWFEESA-N	266.385	2.528	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@@H]2C)c1	160719114	GJRAAIWODPBROZ-IUCAKERBSA-N	282.365	2.797	70	20	CFID	
O=C(NOCc1cccnc1)c1csc2c1CCCC2	160787477	OROHGLVFWMKIQA-UHFFFAOYSA-N	288.372	2.884	70	20	CFID	
CCS[C@@H](C(=O)Nc1cccc(F)n1)C(C)C	160886780	MUJKAYHNGIKCKY-LLVKDONJSA-N	256.346	2.937	70	20	CFID	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCn1ccnc1	159837624	NPVJFFULTYRVHH-HIFRSBDPSA-N	273.355	2.900	70	20	CFID	
COc1csc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	159657263	ABTMRSQLLGAJRE-NSHDSACASA-N	295.404	2.978	70	20	CFID	
C[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1cccnc1	159473251	SFZHJRWSYNKSTM-ZFWWWQNUSA-N	288.391	2.793	70	20	CFID	
NC(=O)[C@H](Sc1ccncc1)c1ccc(F)cc1	159917117	KYOIREPLGKSOON-GFCCVEGCSA-N	262.309	2.539	70	20	CFID	
CC[C@H](NC(=O)CC1CCNCC1)c1ccc(F)cc1F	159728755	PRTFEYOETRFNRA-HNNXBMFYSA-N	296.361	2.922	70	20	CFID	
CCCn1nccc1CNCc1cccc(COC)c1	160106564	UAKGXWBMIJCGLN-UHFFFAOYSA-N	273.380	2.729	70	20	CFID	
CCN(CCCO)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	160552088	HQOIVBMIEJSIRW-WDEREUQCSA-N	281.318	2.586	70	20	CFID	
CC[C@H](C)N(C)CCNCc1ccc(-n2ccnc2)cc1	217374174	FUBFZYGBADIELY-HNNXBMFYSA-N	286.423	2.692	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H]2CCN(C)[C@H](C)C2)C1	161013146	KIGRPLGCBLLSCC-IXDOHACOSA-N	295.515	2.959	70	20	CFID	
CC(=O)NC1CCC(Nc2cccc(OCCF)c2)CC1	161190815	MXTNECIZYPSXCE-UHFFFAOYSA-N	294.370	2.894	70	20	CFID	
Cc1ncc(Cn2nc(C3CC3)nc2C2CC2)s1	161470867	XAIPWXJLGABWTM-UHFFFAOYSA-N	260.366	2.846	70	20	CFID	
COc1cc(C)ccc1CNC(=O)NCC1(C2CC2)CC1	160262214	NFDGWOMYHDHBHW-UHFFFAOYSA-N	288.391	2.993	70	20	CFID	
Cc1cc(CC(=O)N[C@H]2CCCc3sccc32)no1	160412538	GVRPUZIEHOPDIE-LBPRGKRZSA-N	276.361	2.781	70	20	CFID	
CCc1ncsc1C(=O)Nc1cccc2[nH]cnc12	160437316	AYEYYNRAFZITOW-UHFFFAOYSA-N	272.333	2.834	70	20	CFID	
COc1cccc(Cl)c1CC(=O)N(C)CCSC	160520994	RXEAUBGIOLJKSO-UHFFFAOYSA-N	287.812	2.713	70	20	CFID	
CC1(C)C[C@H](NCc2cccc(-n3cccn3)c2)CCO1	160533227	DCDZKWFVIYFBSQ-OAHLLOKOSA-N	285.391	2.920	70	20	CFID	
COCCOc1ccccc1CN[C@@H]1CCOC(C)(C)C1	160611812	HMCKHLTXYROCQI-OAHLLOKOSA-N	293.407	2.759	70	20	CFID	
C[C@@H](CC1CCCCC1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160639179	JAUASNXLFBTCNK-CWRNSKLLSA-N	278.440	2.946	70	20	CFID	
CC[C@@H](NC(=O)c1scnc1C)c1c(C)noc1C	160694646	VUAMBODNEUJYLQ-SNVBAGLBSA-N	279.365	2.937	70	20	CFID	
O=C(NCc1nccs1)[C@@H]1C[C@@H]1c1cccc(F)c1F	160740037	NHFHSYANAVSNOM-NXEZZACHSA-N	294.326	2.841	70	20	CFID	
Cn1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1	160763602	BNCYBDBXTSKLIE-YNEHKIRRSA-N	261.369	2.965	70	20	CFID	
CC(C)NC(=O)CN[C@@H]1CCCOc2c(Cl)cccc21	160927505	SKSJPBIYJFXLPK-CYBMUJFWSA-N	296.798	2.668	70	20	CFID	
COc1ccccc1NC(=O)N(C)CCc1nccs1	159728700	AJKMSFSZWSNUAJ-UHFFFAOYSA-N	291.376	2.858	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccccc1C)CC2	159597061	HZTHAJRQXJHSNO-OCCSQVGLSA-N	270.380	2.561	70	20	CFID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCCN1CCOCC1)C2	218508575	RTUQZFCATGBDBD-ZOBUZTSGSA-N	280.456	2.513	70	20	CFID	
CCOC(C)(C)CNc1ccccc1S(=O)(=O)CC	159515900	NDPFLBDUGUWZRL-UHFFFAOYSA-N	285.409	2.707	70	20	CFID	
CC(C)(C)OC(=O)[C@H]1CCCN1C[C@H]1CCC(C)(C)O1	160829776	DRHRNBWOYXWZRX-CHWSQXEVSA-N	283.412	2.750	70	20	CFID	
CO[C@@H](C)[C@@H](C)Nc1ccc(Cn2cccn2)cc1	161238958	WAMKHQKWFOQIQG-OLZOCXBDSA-N	259.353	2.767	70	20	CFID	
CC[C@H](C)[C@H](O)CNC(=O)c1cc(F)c(Cl)cc1F	160040462	IRJGKNLHXCTXAG-JVXZTZIISA-N	291.725	2.755	70	20	CFID	
COCC(C)(C)C(=O)N(C)CCOc1ccccc1C	160829341	AYVVVMPBKNHMHH-UHFFFAOYSA-N	279.380	2.505	70	20	CFID	
Cc1cccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1	161400170	HGANFDYMHNGRSF-INIZCTEOSA-N	296.418	2.912	70	20	CFID	
CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc(C)nc2)C1(C)C	161428896	VMQUMWFBGXFMGT-WFASDCNBSA-N	277.368	2.715	70	20	CFID	
C[C@@H](CC(=O)N1CCS[C@H](C)C1)c1ccncc1	160018472	ROOXEIJRBAJCLY-NWDGAFQWSA-N	264.394	2.539	70	20	CFID	
CCC[C@H]1CCCN(c2nc(CCOC)ns2)C1	160586646	HKFQBTKOAPVANW-NSHDSACASA-N	269.414	2.744	70	20	CFID	
CCCN(C(=O)Nc1ccc(-c2ncn(C)n2)cc1)C1CC1	160968126	WGXUTYOLZZUUKT-UHFFFAOYSA-N	299.378	2.888	70	20	CFID	
Cc1cc(NC(=O)c2ccc(OCC3CC3)cc2)c[nH]c1=O	159641869	CZYVELZMUNOIEW-UHFFFAOYSA-N	298.342	2.724	70	20	CFID	
Cc1cc(C)c(C(=O)N[C@H](CN(C)C)c2ccccc2)[nH]1	159844420	AXHTXJBSHSGPKN-OAHLLOKOSA-N	285.391	2.664	70	20	CFID	
Fc1cc2ncnc(N3CCOC[C@@H]3C3CC3)c2cc1F	159652037	PLYBALSCIIRPSH-CQSZACIVSA-N	291.301	2.523	70	20	CFID	
CCCCCN(c1ccccc1F)S(C)(=O)=O	159867779	FWOWJWUGHPGKGY-UHFFFAOYSA-N	259.346	2.782	70	20	CFID	
CC1(C)C[C@H]1C(=O)NCCCOCCc1ccccc1	159710054	GSIWZXBTFQZRQF-HNNXBMFYSA-N	275.392	2.798	70	20	CFID	
Cc1noc(C)c1CCS(=O)(=O)c1ccccc1Cl	159985639	BRELPEPRTDAZKH-UHFFFAOYSA-N	299.779	2.961	70	20	CFID	
CCc1ccc([C@@H](C)C(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159793079	MYIUOPFGRGNXDQ-GFCCVEGCSA-N	284.359	2.988	70	20	CFID	
CCc1ccc([C@H](C)NC(=O)[C@H](N)[C@H](C)CC)cc1	217779533	KWPXHODIJXLRND-TYNCELHUSA-N	262.397	2.800	70	20	CFID	
CC(C)(C)NC(=O)N[C@@H]1CCCc2cc(N)ccc21	159441051	TZGYHGIARNWBKT-CYBMUJFWSA-N	261.369	2.744	70	20	CFID	
COC(=O)C(C)(C)CNC(=O)C1CCC(C)(C)CC1	161160045	SMRMZRFOEPOGRK-UHFFFAOYSA-N	269.385	2.518	70	20	CFID	
CC1=C(C(=O)N(C)OCc2ccccc2)CCCO1	161237015	QKBPSWMEMPCFID-UHFFFAOYSA-N	261.321	2.661	70	20	CFID	
CC(C)c1nccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	160050929	ZCKYFNQVHKKJTH-BNOWGMLFSA-N	273.380	2.970	70	20	CFID	
Cc1cc(F)ccc1NC(=O)NCCCC(=O)OC(C)C	161126696	ZOPKEZYAEGCIIB-UHFFFAOYSA-N	296.342	2.987	70	20	CFID	
C[C@@H](c1ccccc1)N1CCN(Cc2ccncc2)CC1	161199655	COWRTHQNSNORIC-INIZCTEOSA-N	281.403	2.960	70	20	CFID	
COC[C@@H](NC(=O)Nc1cscc1C)C1CC1	161259426	AEATWQNOTKHUOM-SNVBAGLBSA-N	254.355	2.603	70	20	CFID	
COc1ccc2c(c1)CCC[C@@H]2NCc1cnn(C)c1C	161313046	NEDBEJVXFLZOEV-KRWDZBQOSA-N	285.391	2.904	70	20	CFID	
Cc1cccc(C(=O)Nc2ccc(NC(N)=O)cc2)c1F	161430644	WIKZUNZRHHXEHB-UHFFFAOYSA-N	287.294	2.877	70	20	CFID	
Cn1c(CSc2ccncc2)nc2ccccc2c1=O	160031554	OSSXEFFTOKHLBE-UHFFFAOYSA-N	283.356	2.621	70	20	CFID	
CN(Cc1noc(C2CCCCC2)n1)C[C@@H]1CCCOC1	160095966	FCBDLLIUVIBCPN-ZDUSSCGKSA-N	293.411	2.976	70	20	CFID	
CC[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO1	160159829	MADCSEAUAATXLJ-ZFWWWQNUSA-N	259.349	2.923	70	20	CFID	
C[C@@]1(CNC(=O)Cc2ccc(O)cc2Cl)CCCS1	160508561	BFEVESATEOPCFV-AWEZNQCLSA-N	299.823	2.990	70	20	CFID	
Cc1nc2ccccn2c1CN(CCO)c1ccccc1	160629307	UAWYDORHCRPOQH-UHFFFAOYSA-N	281.359	2.642	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@H](c1ccccc1)C1CC1	160715236	JSJYOUZPXBNTLB-HZPDHXFCSA-N	275.392	2.703	70	20	CFID	
C[C@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)c2ccccc21	160760100	CFKWJASMCWHDKU-DZGCQCFKSA-N	299.418	2.804	70	20	CFID	
CC[C@@H](O)CCNC(=O)NC1CCC(C(F)(F)F)CC1	160890037	CUCJWWDMWDNRLM-VQXHTEKXSA-N	296.333	2.568	70	20	CFID	
COCC(C)(C)C(=O)NCc1ccc(C(F)(F)F)cc1	160947474	CYVUOVQPQRXIOK-UHFFFAOYSA-N	289.297	2.994	70	20	CFID	
CN(C)[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159877755	QKKSUQQKGLEPFC-CQSZACIVSA-N	266.429	2.755	70	20	CFID	
CC1(C)CCC(C(=O)Nc2cccnc2-n2cncn2)CC1	159767650	FBIKDFHBZHHWAY-UHFFFAOYSA-N	299.378	2.817	70	20	CFID	
CCC[C@@H](C)CC(=O)N[C@@H](CO)Cc1ccccc1	159963459	AYTKJZHAIXKLAW-UKRRQHHQSA-N	263.381	2.533	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)NCc1cccc(F)c1	159382744	RBVJSUVUVYMWIF-UHFFFAOYSA-N	295.745	2.705	70	20	CFID	
CC(=O)Nc1ccc(CN[C@H]2CCOC(C)(C)C2)cc1	160571723	WGUJFBWYTJTVKN-HNNXBMFYSA-N	276.380	2.692	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@@H](C)[C@@H]2CO)cc1	160944141	BPRMELUYDQDIOK-ZBFHGGJFSA-N	275.392	2.661	70	20	CFID	
O=C(NCCc1c[nH]c2ccccc12)c1c(O)cccc1O	217446185	AXDUCANKBSWTKG-UHFFFAOYSA-N	296.326	2.552	70	20	CFID	
CC(C)(C)c1ccc(CNC(=O)[C@@]2(C)CCCNC2)cc1	161337307	GVCHFFUWDBUBKJ-SFHVURJKSA-N	288.435	2.990	70	20	CFID	
CC(C)CCOc1ccc(NC(=O)[C@@H]2CSCN2)cc1	161380936	IQUBWMOAPKLTPB-AWEZNQCLSA-N	294.420	2.713	70	20	CFID	
COCCOc1cccc(CC(=O)N(C)c2ccccc2)c1	160061100	PUFPRNAJBKKRRT-UHFFFAOYSA-N	299.370	2.917	70	20	CFID	
CCC[C@]1(C)NC(=O)N(CC(=O)CCC2CCCC2)C1=O	160315744	BXKFUWIIFYKIMX-INIZCTEOSA-N	294.395	2.637	70	20	CFID	
CC[C@@H](CNC(=O)C(C)(C)COC)c1ccccc1	160704938	UBEICNSPZIIJQS-ZDUSSCGKSA-N	263.381	2.969	70	20	CFID	
CCc1nc(C(=O)NC[C@H](C)c2ncc(C)s2)co1	159848765	RALRCYSVXINLNA-QMMMGPOBSA-N	279.365	2.535	70	20	CFID	
Cc1cccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c1C	159732953	VBUOTFYUVUCAAX-BETUJISGSA-N	262.353	2.728	70	20	CFID	
CC(=O)Nc1ccc(N[C@H](C)CCn2cccn2)cc1	159363580	QAPYEFMFLFIJPX-GFCCVEGCSA-N	272.352	2.732	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCc3c(Cl)cccc32)ncn1	159379649	QHBXRUMTEJRIQQ-ZDUSSCGKSA-N	287.750	2.856	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC=CCC1	159569933	RIPBIHYKOCINBA-ZIAGYGMSSA-N	263.381	2.951	70	20	CFID	
CC[C@H](C)[C@H](C)NC(=O)NCCc1ccncc1C	159969968	YTMMLHBUSLTJED-AAEUAGOBSA-N	263.385	2.666	70	20	CFID	
Cc1cc(NC(=O)C[C@@H](C)CC(C)C)c[nH]c1=O	159792514	OYQRTRLYFFCLCG-JTQLQIEISA-N	250.342	2.694	70	20	CFID	
C[C@@H]1CCC[C@](CN[C@H](C)c2cnn(C)c2)(N(C)C)C1	217458230	MIBUEBPPMPDQPD-FMKPAKJESA-N	278.444	2.581	70	20	CFID	
CCO[C@H]1C[C@H](NCc2cnn3ccccc23)C1(C)C	217871541	GGKBAJIKXNLARV-GJZGRUSLSA-N	273.380	2.628	70	20	CFID	
CCC(N)(CC)CNC(=O)c1ccc2c(c1)CCCC2	160416537	RVORASAKNDLEAP-UHFFFAOYSA-N	274.408	2.813	70	20	CFID	
O=C(c1cc2ccccc2oc1=O)N1[C@H]2C=CC[C@H]1CC2	218701933	IWOSZXDFFKOJJG-STQMWFEESA-N	281.311	2.726	70	20	CFID	
NCCCC(=O)N[C@@H](Cc1ccccc1)c1cccs1	161066339	HUZKSTLTRDRPQT-AWEZNQCLSA-N	288.416	2.887	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1ccc(COC)cc1	161088123	ACFGAKSVBWAARO-HXUWFJFHSA-N	293.388	3.000	70	20	CFID	
CCC(CC)c1cc(C(=O)NC[C@H](C2CC2)N(C)C)on1	161152446	WMKCCVDLWOSXSG-CQSZACIVSA-N	293.411	2.648	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@H](C)c1cccc(C)c1	161242633	OHVHTWCBHLOLED-AWEZNQCLSA-N	276.424	2.980	70	20	CFID	
Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2)ncn1	161381563	YNRXCSJFGOWIGL-OAHLLOKOSA-N	281.359	2.632	70	20	CFID	
CC[C@H](C(=O)NCc1cnn(C)c1C)c1ccc(F)cc1	161414414	IGSCJBLQCJDIGN-HNNXBMFYSA-N	289.354	2.678	70	20	CFID	
CC[C@H](NC(=O)[C@H]1CCCCO1)c1ccc(OC)cc1	160105501	LPVWDYFOSAFLFG-LSDHHAIUSA-N	277.364	2.832	70	20	CFID	
C[C@H](CC(=O)Nc1ccc(N(C)C)cn1)c1ccncc1	160531958	LYRNZVQXEOESFK-GFCCVEGCSA-N	284.363	2.675	70	20	CFID	
C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCN(CC2CC2)C1	160665090	GFEJOBGQNPVTCM-CJNGLKHVSA-N	299.418	2.632	70	20	CFID	
NCC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCCC1	159821367	UOGPHFLCDMGKBV-MRXNPFEDSA-N	286.419	2.643	70	20	CFID	
CC(C)C[C@@H]1CCN(C(=O)c2cccc3[nH]c(=O)oc23)C1	159434493	SCGPFUJHOMIOLJ-NSHDSACASA-N	288.347	2.629	70	20	CFID	
COC[C@H]1CCCN(c2nc(C(C)(C)C)ns2)C1	159461529	ZKQJSTXAGKWPIS-JTQLQIEISA-N	269.414	2.698	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(CCCCCN)n1	159944326	HNFYGLHTVKETOO-OAHLLOKOSA-N	289.379	2.867	70	20	CFID	
CCN(CC(C)(C)O)C(=O)Nc1ccn(CCC(C)C)n1	159947494	WXYRQRCPKPBHLO-UHFFFAOYSA-N	296.415	2.554	70	20	CFID	
CON(C)C(=O)c1cc(NC(=O)C(C)C)ccc1Cl	159576183	NWINAMBFVSLZMA-UHFFFAOYSA-N	284.743	2.568	70	20	CFID	
Cc1ccc2cccc(NC(=O)NCc3nc(C)no3)c2n1	159780950	TXANDURUARHESC-UHFFFAOYSA-N	297.318	2.556	70	20	CFID	
C[C@H]1C[C@@H](N)CCN1Cc1cccc2cccnc12	159450974	CAOVVNCVIPSVTL-WFASDCNBSA-N	255.365	2.546	70	20	CFID	
O=C(NC[C@@H]1CCCN1c1ccccc1)C1CCCC1	217836206	MLNMQCVGYGJVIT-INIZCTEOSA-N	272.392	2.962	70	20	CFID	
Cc1ccc(NC(=O)NCc2ccccc2F)cn1	217314055	MHSXFXZVVOBFMX-UHFFFAOYSA-N	259.284	2.851	70	20	CFID	
CC[C@H]1CCCCN1C(=O)NCC1(CCOC)CC1	161139768	JQIDIXWAHRPKCG-ZDUSSCGKSA-N	268.401	2.777	70	20	CFID	
CC[C@H](OC1CCCC1)C(=O)Nc1ccc(OC)c(N)c1	161075291	UBIAVTQKPGHKMW-AWEZNQCLSA-N	292.379	2.954	70	20	CFID	
CC(C)(C)[C@H](CCO)NC(=O)NC1CCCCCC1	161155396	OPZIQDRPEDTBBV-ZDUSSCGKSA-N	270.417	2.806	70	20	CFID	
CC[C@@H](C)NCc1ccccc1CN1CCC(O)CC1	161204570	WBTISJNVAYBUJH-CQSZACIVSA-N	276.424	2.531	70	20	CFID	
CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1CC	161259589	IMOCLPRLSJPEKG-QLFBSQMISA-N	285.428	2.855	70	20	CFID	
CC(C)(CNC(=O)[C@@H]1CCCCO1)c1ccccc1	161459128	QCWRFAPMVFENRB-AWEZNQCLSA-N	261.365	2.650	70	20	CFID	
Cc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)c1	160258268	WCSMOGYMUQZSMZ-UHFFFAOYSA-N	282.303	2.934	70	20	CFID	
COC(=O)c1ccnc(NC(=O)[C@H](C)c2ccsc2)c1	160356928	ABJRIQIRUIMSOS-SECBINFHSA-N	290.344	2.672	70	20	CFID	
CC[C@H](NC(=O)CCOC(C)C)c1c(C)noc1C	160536618	UXIBEPZYDJPRIZ-LBPRGKRZSA-N	268.357	2.674	70	20	CFID	
CCOCCN(CC)C(=O)Nc1ccnc(C)c1Cl	159818464	ZACHOBORIPKBRM-UHFFFAOYSA-N	285.775	2.934	70	20	CFID	
CCCCOc1ccc(C(=O)N(C)[C@H](CN)C2CC2)cc1	159894825	LNCDTWOTZKIMON-MRXNPFEDSA-N	290.407	2.675	70	20	CFID	
Cc1ccc(C(C)(C)C(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159795847	OVCRVABQYHDJQT-UHFFFAOYSA-N	284.359	2.908	70	20	CFID	
CCOc1ccccc1CNCCN(C)[C@@H](C)CC	217385741	RMMYJTBWQGSJCW-AWEZNQCLSA-N	264.413	2.905	70	20	CFID	
C[C@@H](CO)SCc1noc(C2CCCCC2)n1	159844328	NZOMYXDZZOBALL-VIFPVBQESA-N	256.371	2.731	70	20	CFID	
CCO[C@H](C)c1nccn1CC(=O)N(CC(C)C)C(C)C	161494105	UQPFWYXMINBJAD-CQSZACIVSA-N	295.427	2.874	70	20	CFID	
CCCOCC(=O)O[C@H](c1ccccn1)C(F)(F)F	160252565	AYTUUUAJZLRZEK-LLVKDONJSA-N	277.242	2.655	70	20	CFID	
COc1cccc2c1OCC(C(=O)Nc1ncccc1C)=C2	160338307	PNGBPSGPZCHNQF-UHFFFAOYSA-N	296.326	2.813	70	20	CFID	
CCCN1CCCN(C(=O)c2cc(F)ccc2C)CC1	160356084	DHHQDZHTMJCVLY-UHFFFAOYSA-N	278.371	2.692	70	20	CFID	
CSc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	160440528	NMXFOCBNQPGYJA-KLPPZKSPSA-N	280.393	2.834	70	20	CFID	
CN(Cc1cccn1C)C(=O)Cc1cn(C)c2ccccc12	160472892	CZTULWFRQSRCIU-UHFFFAOYSA-N	295.386	2.718	70	20	CFID	
CCc1ncnc(N[C@H]2CCOC(C)(C)C2)c1F	160851918	BQAJGWIRCHXEDF-VIFPVBQESA-N	253.321	2.548	70	20	CFID	
CCCC(O)(CCC)CC(=O)N(C)CCc1ccncc1	160853687	MEUJLAZNQZVSPQ-UHFFFAOYSA-N	292.423	2.804	70	20	CFID	
C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(F)c1F	159469028	WARAQALRVKPGON-BMIGLBTASA-N	290.313	2.842	70	20	CFID	
C/C=C(/C)C(=O)N(Cc1ccco1)C[C@H]1CCCO1	159920217	AUFCXVGJASPUEI-BOTKQDERSA-N	263.337	2.753	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H]1CCCc2occc21	159741524	UIBJKZHPCJUVLZ-VHRBIJSZSA-N	275.348	2.779	70	20	CFID	
COc1ccc(OCCCNC(=O)NC2(C)CCC2)cc1	159947263	RNPOXTBJKUTYJM-UHFFFAOYSA-N	292.379	2.706	70	20	CFID	
Cc1cc(N[C@H](C)C(=O)N2CCCc3ccccc32)nn1C	159561640	GUTBKQBWPTWDDD-CYBMUJFWSA-N	298.390	2.508	70	20	CFID	
COc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1Cl	159994762	DUCGVKQOLQABGT-JGZJWPJOSA-N	298.770	2.774	70	20	CFID	
CCCn1nccc1CNCCCOc1ccccc1	160133877	BIIARLJXTSJEAR-UHFFFAOYSA-N	273.380	2.852	70	20	CFID	
O=C(Nc1ccc(Cl)c(F)c1)N[C@H]1CC[C@H](O)CC1	160909054	KMILSSUQAGHFEY-WAAGHKOSSA-N	286.734	2.904	70	20	CFID	
CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1	161138010	HQFOUCDKZNGQQU-MISXGVKJSA-N	298.814	2.597	70	20	CFID	
CCC(CC)(CN)C(=O)N1CC[C@H](Cc2ccccc2)C1	161179327	PFLHMOCHINUUGQ-MRXNPFEDSA-N	288.435	2.843	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(Cl)nc1	161278428	YKXQZUZULPEPKM-UHFFFAOYSA-N	285.775	2.655	70	20	CFID	
CC(C)n1nccc1C(=O)N1CCC[C@H]2CCC[C@@H]21	161324930	KKTSDOKMBFDPQN-OLZOCXBDSA-N	261.369	2.869	70	20	CFID	
CC[C@H](NC(=O)c1ccc(O)nc1C)c1nc(C)cs1	161440303	FCFXXRGYASKOQT-NSHDSACASA-N	291.376	2.742	70	20	CFID	
C[C@H](Sc1ccccc1Cl)C(=O)NCC(C)(C)N	160089763	FZTPZOJPHDMONR-VIFPVBQESA-N	286.828	2.674	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1C	160104427	WRBXWMQPLYDCJY-ZIAGYGMSSA-N	298.427	2.938	70	20	CFID	
NCC[C@@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1	160201426	XHSJRMGHMNBGOZ-CNSOWSRNSA-N	290.451	2.646	70	20	CFID	
CC/C=C(/C)C(=O)Nc1ccc(C(=O)NC)cc1Cl	160206327	URVZKERHRXVULM-UITAMQMPSA-N	280.755	2.994	70	20	CFID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1	160245140	YUEHCEXSBQVPBN-LBPRGKRZSA-N	294.826	2.729	70	20	CFID	
COC(=O)Nc1cccc(NC(=O)C[C@H](C)SC)c1	160306897	OTYDWSJKARDFFJ-VIFPVBQESA-N	282.365	2.945	70	20	CFID	
CCSCC[C@H](C)Nc1nccn2nc(C)cc12	160318871	IUMTYTXUHKWAMC-JTQLQIEISA-N	264.398	2.981	70	20	CFID	
CS[C@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160596225	LNYOMFKMURNMLU-VXGBXAGGSA-N	271.426	2.736	70	20	CFID	
CCOc1ccc([C@@H]2CCCN2Cc2nncn2C)cc1	160714127	ZWGYEVUGLMNYLU-HNNXBMFYSA-N	286.379	2.551	70	20	CFID	
COC(=O)Nc1cccc(C(=O)Nc2cccc(F)n2)c1	160817931	QKGPPCXKJCTWEL-UHFFFAOYSA-N	289.266	2.651	70	20	CFID	
CCOc1ccc(NC(=O)N2CCC[C@@](C)(O)C2)c(C)c1	159606225	PJJWATMONBPGKG-MRXNPFEDSA-N	292.379	2.772	70	20	CFID	
Cc1ccc([C@@H]2CCCCN2C(=O)CCCN)cc1	159913883	WYOFOSOYXPTUFI-HNNXBMFYSA-N	260.381	2.788	70	20	CFID	
CCOc1ccccc1NCc1nnc2n1CCCC2	217317432	ANNRKNRQLJQBBA-UHFFFAOYSA-N	272.352	2.625	70	20	CFID	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)C(C)C	159757868	ONYWVRCHXAKJLW-MGPQQGTHSA-N	281.396	2.517	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H](C)c1ccc(F)c(F)c1	159974474	DQAACQYLCNAZGC-NSHDSACASA-N	284.350	2.778	70	20	CFID	
CCN(CC(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160247504	XGQSREWWAQVDMZ-KBPBESRZSA-N	268.401	2.632	70	20	CFID	
Cc1ccc(C)c(C(=O)N(C)Cc2cccn2C)c1	160427975	WTXWFCWONBIFLF-UHFFFAOYSA-N	256.349	2.914	70	20	CFID	
CCCCc1ccc(CC(=O)N2CCC[C@H]2CNC)cc1	161364854	YSXGUQDHSFZTDM-KRWDZBQOSA-N	288.435	2.782	70	20	CFID	
CC(C)[C@H](O)CC(=O)NC[C@H](C)c1ccc(F)cc1F	161409209	YSMGSIJRLJFSKC-IINYFYTJSA-N	285.334	2.592	70	20	CFID	
Cc1cccc([C@H]2CCCN2Cc2nnc(C3CC3)o2)n1	160148127	BICXMDYZJSGNBP-CQSZACIVSA-N	284.363	2.988	70	20	CFID	
CO[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)c1ccccc1	160218254	STIOLUREDWIVKF-INIZCTEOSA-N	299.326	2.766	70	20	CFID	
Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)ccn1	160558295	SPQHZLYTIVCREY-LLVKDONJSA-N	255.321	2.917	70	20	CFID	
CCCn1c(C)nnc1CN(CC)C[C@H](C)CC	160595775	CMVFMQUCYIGLHR-GFCCVEGCSA-N	252.406	2.865	70	20	CFID	
CC[C@H](NCC(=O)N1CCCC1)c1ccc(F)cc1F	160700050	CGAZTRNQDRXRSR-AWEZNQCLSA-N	282.334	2.628	70	20	CFID	
CCCOc1cccc(CC(=O)N[C@H](CO)CC(C)C)c1	160795304	ZVYCKEBZAJHRNF-HNNXBMFYSA-N	293.407	2.541	70	20	CFID	
Cc1c(/C=C/C(=O)Nc2nc(C3CC3)cs2)cnn1C	160837579	AQDMXUQUPAIILP-AATRIKPKSA-N	288.376	2.714	70	20	CFID	
CN(C)[C@H](CNC(=O)[C@@H]1CC1(C)C)c1ccc(F)cc1	159658248	BFJGICFGRLAHIT-UONOGXRCSA-N	278.371	2.591	70	20	CFID	
CCOCCC1(CNC(=O)CC[C@H]2CCCO2)CCC1	159662524	QDIHSQPKGMTYBV-CQSZACIVSA-N	283.412	2.659	70	20	CFID	
CC(C)Oc1ccc(NC(=O)C2(O)CCSCC2)cc1	159868764	YFTYGYWBZIALPL-UHFFFAOYSA-N	295.404	2.670	70	20	CFID	
Cc1ccc(S(=O)(=O)CCc2c(C)noc2C)c(C)c1	159990050	HWXRWUWSMWJQKS-UHFFFAOYSA-N	293.388	2.925	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)NC[C@H]1CCCN1CC	159578709	MEZQOEXTHCUHFE-ZBFHGGJFSA-N	296.455	2.715	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1C)CC2	159596925	HZTHAJRQXJHSNO-GXTWGEPZSA-N	270.380	2.561	70	20	CFID	
Cc1nn(-c2ccccc2)c(C)c1CS(=O)(=O)Cl	88251209	GKIMNXBDVZTIFQ-UHFFFAOYSA-N	284.768	2.558	70	20	CFID	
Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1S(=O)(=O)F	857674275	UBXASVNXNYZLFP-NEPJUHHUSA-N	297.351	2.638	70	20	CFID	
CCCCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	763175287	FHKCZHGGYWWLGT-UHFFFAOYSA-N	273.329	2.864	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCOC[C@@H]1CCCO1	161056485	YVCDAADHSYPKOD-PMPSAXMXSA-N	297.439	2.999	70	20	CFID	
CC(C)C(=O)NCc1ccc(COC2CCOCC2)cc1	161413237	GVFUWBNBNHURCV-UHFFFAOYSA-N	291.391	2.654	70	20	CFID	
CCc1ccc(/C=C/C(=O)Nc2cnn(CC(F)F)c2)o1	160092566	YIZPGUOJIBSHAT-AATRIKPKSA-N	295.289	2.956	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@H](C)C1(C)CC1	160213545	GUMQAIRFDCLQIQ-GFCCVEGCSA-N	284.400	2.548	70	20	CFID	
CSc1ccc(NC(=O)[C@H]2CCCCO2)cc1	160256168	ZEMDFDPYJCUSSL-GFCCVEGCSA-N	251.351	2.916	70	20	CFID	
CCCN1CCCN(C(=O)CCC2CCCC2)CC1	160364566	ORKQOZUTWQTWJQ-UHFFFAOYSA-N	266.429	2.901	70	20	CFID	
C[C@H](NCc1ccccc1CN1CCOCC1)C1(C)CC1	160488675	KJQBQFXFTOJZFN-HNNXBMFYSA-N	288.435	2.797	70	20	CFID	
CC(C)c1cc(=O)n(Cc2cccc(F)c2F)cn1	160906235	ZGAIWGPBBBDNIR-UHFFFAOYSA-N	264.275	2.693	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccs1	159802925	HQHMYOPCZKVBMH-NSHDSACASA-N	265.378	2.970	70	20	CFID	
CCCC1(CNC(=O)NCC(C)(C)[C@H](O)C(C)C)CC1	159872379	LIRWVPYQQZBJRZ-CYBMUJFWSA-N	284.444	2.909	70	20	CFID	
COCCCC(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1	159509010	XWPPNABMAHEENJ-UHFFFAOYSA-N	289.335	2.876	70	20	CFID	
C[C@H](COc1ccc(F)cc1F)NC(=O)NC1(C)CCC1	159935424	OVNOTLABKZNNBG-SNVBAGLBSA-N	298.333	2.974	70	20	CFID	
CCOc1ccccc1N(C)Cc1ccc(C(N)=O)cc1	159371791	JWTAWUMMOLSYLE-UHFFFAOYSA-N	284.359	2.821	70	20	CFID	
Cc1ccc(CNc2cccc(OCCN(C)C)c2)cn1	159566474	LYAVYCUESGMVCU-UHFFFAOYSA-N	285.391	2.943	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(CCC(C)(C)N)n1	159966332	ZAWPOWFYSAMGHM-AWEZNQCLSA-N	289.379	2.865	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CSc1nncn1C(C)C	159571989	LFXDCYMQLYKICA-VXGBXAGGSA-N	296.440	2.646	70	20	CFID	
O=C(N1CCCCCC1)N1CC[C@H](N2CCCCC2)C1	160557993	FSVWCAJXPIKIMK-HNNXBMFYSA-N	279.428	2.543	70	20	CFID	
CC1(C)C[C@@H](Nc2nnc(C3CC3)s2)CCO1	160594466	SSNCERZEXHSCHQ-VIFPVBQESA-N	253.371	2.785	70	20	CFID	
CC[C@@H](C)OCC1(CS(=O)(=O)Cl)CCCC1	114474214	RZHWZGVPKYJVPZ-SNVBAGLBSA-N	268.806	2.931	70	20	CFID	
CCn1nccc1CN(C)Cc1ccccc1OC	160419044	KCZWOIFWHPRRAG-UHFFFAOYSA-N	259.353	2.544	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1	161081608	YJYBEDJUEFYGLR-VHSXEESVSA-N	286.828	2.720	70	20	CFID	
Cc1occc1-c1nnc(SCc2ccnn2C)o1	161243818	MYZHAHKTCHTNJN-UHFFFAOYSA-N	276.321	2.664	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCc2ccncc2)n1	160346004	HVVRFIXBKTXJHF-UHFFFAOYSA-N	287.367	2.646	70	20	CFID	
Cc1nc2ccccn2c1CN1CCS[C@@H](C)[C@@H]1C	160501881	GGZKXPZOXLXOPQ-STQMWFEESA-N	275.421	2.969	70	20	CFID	
CSCCCCC(=O)N(C)Cc1cccn1C	160824032	NDUPZOVBLMJIIS-UHFFFAOYSA-N	254.399	2.517	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccncc1F	160787670	QTIPLTNAFOKDSY-GFCCVEGCSA-N	292.354	2.832	70	20	CFID	
Cc1c(/C=C/C(=O)NC[C@@H]2CCC[C@H](C)C2)cnn1C	160940810	JKHBKMHILDHCDB-IRORGTOCSA-N	275.396	2.684	70	20	CFID	
CC(C)(C)c1nsc(NCCCOC[C@H]2CCOC2)n1	159601002	VPMLZPBGMJNSDF-LLVKDONJSA-N	299.440	2.691	70	20	CFID	
Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)c[nH]c1=O	159497458	ODZUGSFQIBMGMM-UHFFFAOYSA-N	298.676	2.867	70	20	CFID	
CCc1nn(C)cc1CNc1ccc(F)cc1F	159723421	GMZZBYGDEGMQCM-UHFFFAOYSA-N	251.280	2.873	70	20	CFID	
O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCCO1	159728690	AATRZJZPSQZNAG-LBPRGKRZSA-N	289.360	2.713	70	20	CFID	
Cc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2)nn1C	159580075	WGAPFWVWSAFBJJ-JTQLQIEISA-N	292.770	2.821	70	20	CFID	
Cc1cc(C(=O)NCC2(N)CCCCC2)c(F)cc1F	159479813	QPONNXWJBJMRSC-UHFFFAOYSA-N	282.334	2.665	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1cc2c(s1)CCCC2	160275415	CNGVRGQGGCZIOZ-UHFFFAOYSA-N	293.432	2.909	70	20	CFID	
CC(C)OCCNC[C@H](O)c1cccc(C(F)(F)F)c1	160204801	ZRPDOASQIRBLDA-ZDUSSCGKSA-N	291.313	2.753	70	20	CFID	
COc1cc(N[C@@H](C)C(=O)NC(C)(C)C)ccc1F	160251782	MKCZUIAKRGLUST-VIFPVBQESA-N	268.332	2.549	70	20	CFID	
CCSCC[C@H](C)NC(=O)c1cccc2c1CCNC2	160217480	JVXSQZWQVJQFIJ-LBPRGKRZSA-N	292.448	2.594	70	20	CFID	
CN(Cc1cccs1)C(=O)CN1CC[C@@H]2CCCC[C@@H]21	160548622	WCQKAJXOAAWAHC-ZFWWWQNUSA-N	292.448	2.971	70	20	CFID	
CCCCc1ccc(CC(=O)NC(C)(C)CCO)cc1	161504639	HSTXXMMFJVOFKU-UHFFFAOYSA-N	277.408	2.849	70	20	CFID	
O=C(NCCc1c[nH]c2cc(F)ccc12)C(F)(F)F	218096233	VLLOGRWAKMZBLT-UHFFFAOYSA-N	274.217	2.528	70	20	CFID	
CC(C)C(=O)NCCCN[C@H](C)c1ccccc1F	159991257	ZULVXPYIIGBWAB-GFCCVEGCSA-N	266.360	2.639	70	20	CFID	
C[C@H](NC[C@H]1CSCCS1)c1cscn1	161220955	IIOOCJBRGFNQLQ-IUCAKERBSA-N	260.453	2.642	70	20	CFID	
O=c1onc(-c2cccnc2)n1Cc1ccc(Cl)cc1	161320466	MOWKDHGAXHNSQJ-UHFFFAOYSA-N	287.706	2.600	70	20	CFID	
CCO[C@H](C)c1nccn1Cc1cn2c(C)cccc2n1	161482718	POZPNLNUWQVOBP-CYBMUJFWSA-N	284.363	2.985	70	20	CFID	
COC[C@H]1CCCN(C(=O)[C@H](C)c2ccsc2)C1	160207989	SZPOWBUPHBCORL-NEPJUHHUSA-N	267.394	2.737	70	20	CFID	
CCc1noc(C[S@@](=O)c2ncc(C(C)(C)C)s2)n1	160482840	UYEMHDNFGJMCQL-IBGZPJMESA-N	299.421	2.694	70	20	CFID	
CC[C@@H](COC)NCCCc1nc2c(s1)CCCC2	160627043	JWVROSKKEVSWJG-LBPRGKRZSA-N	282.453	2.969	70	20	CFID	
CC1(C)C[C@H](NC(=O)N2CCc3ccccc32)CCO1	160781874	FIKWEPGZQOFEDM-CYBMUJFWSA-N	274.364	2.716	70	20	CFID	
C[C@@H](CN[C@H](C)[C@@H]1CCOC1)N(C)Cc1ccccc1	160858501	AQXVPZBODNXECA-ZMSDIMECSA-N	276.424	2.522	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1oc2ccccc2c1C	160858757	KNTPPAOTDLELNA-JTQLQIEISA-N	289.331	2.813	70	20	CFID	
C[C@@H](CC(=O)N1CCCCCC1)N[C@@H]1CCCSC1	159614000	DRYCDWIPDWZRMZ-UONOGXRCSA-N	284.469	2.653	70	20	CFID	
CC(C)OC(=O)[C@@H](C)CNc1nc(C(C)(C)C)ns1	159733227	ZUXTVGQZXISKRO-VIFPVBQESA-N	285.413	2.835	70	20	CFID	
CCCCSCCC(=O)N[C@H](C)CN1CCCCC1	159751572	KSPJZCRIVFBPIO-CQSZACIVSA-N	286.485	2.900	70	20	CFID	
CCN(C)C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159758113	KDZBYXGOZUWVHI-NSHDSACASA-N	282.457	2.614	70	20	CFID	
Cc1ccccc1OCCCN(C)C[C@@H]1CCC[C@@H]1O	159585385	OXOSORXMTQLYBS-HOTGVXAUSA-N	277.408	2.857	70	20	CFID	
Fc1ccc(NCc2nnc3n2CCCC3)cc1F	217317631	UCABBHOFABORPT-UHFFFAOYSA-N	264.279	2.505	70	20	CFID	
C[C@@H](CC(=O)NCCCC(C)(C)C)[C@@H]1CCCNC1	160538101	JBKAQMIXBQYJAQ-UONOGXRCSA-N	268.445	2.955	70	20	CFID	
CC1(C)CCC(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1	160929877	ROMJZJLUMDWANI-CYBMUJFWSA-N	293.329	2.729	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2csc3c2CCCC3)C1	161166465	FFLLTDWCUJTSKR-QWRGUYRKSA-N	278.421	2.627	70	20	CFID	
C[C@H]1CN(CCCN2CCCCC2)C[C@H](C)S1	161379609	SCBXEXUINDNAGM-KBPBESRZSA-N	256.459	2.688	70	20	CFID	
CC(C)(C)Cc1noc(S(=O)(=O)Cl)c1Cl	521400956	TUYXZFHDCRDKKZ-UHFFFAOYSA-N	272.153	2.844	70	20	CFID	
O=C(COc1ccccc1)N[C@H]1CCOC2(CCCC2)C1	160045182	IXMRFSLFJKDREE-AWEZNQCLSA-N	289.375	2.673	70	20	CFID	
CC[C@]1(C)CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160106807	HSOOMPONDJORHH-MRXNPFEDSA-N	298.427	2.940	70	20	CFID	
CC[C@H](CN[C@@H](COC)C1CC1)Oc1ccccc1F	160342299	ZCGSHYWUJKXKFZ-HIFRSBDPSA-N	281.371	2.998	70	20	CFID	
CO[C@@]1(C)C[C@H](NCc2ccccc2NC(C)=O)C1(C)C	160512012	CODOOPPEMDYLKN-RDJZCZTQSA-N	290.407	2.938	70	20	CFID	
Cc1cc(NC(=O)Cc2ccc(O)cc2Cl)ccn1	160557419	ORVQMQWXBUOBCD-UHFFFAOYSA-N	276.723	2.930	70	20	CFID	
CSC[C@@H](C)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160627998	ZERPNEKQVYZGQT-OLZOCXBDSA-N	285.453	2.984	70	20	CFID	
Cc1cc(NC(=O)c2ncoc2-c2ccccc2)c[nH]c1=O	159804779	ULGFJALADATEKR-UHFFFAOYSA-N	295.298	2.591	70	20	CFID	
CC(C)c1nc(CSCCN2CCOCC2)cs1	159860563	XLPDNVCCEBGOLG-UHFFFAOYSA-N	286.466	2.832	70	20	CFID	
CN(C)[C@H](CNC(=O)NC1(C)CCC1)c1ccc(F)cc1	159716190	SDRTVQOKSQSNJT-CQSZACIVSA-N	293.386	2.670	70	20	CFID	
CCc1nc(CN(C)Cc2cccc(OC(C)C)c2)n[nH]1	159540025	WUNGNMXUEVTVBL-UHFFFAOYSA-N	288.395	2.786	70	20	CFID	
CC(C)[C@H](C(=O)N1CCNCC1)c1cccc(Cl)c1	159393857	ZGMHOTXMXNKUGK-AWEZNQCLSA-N	280.799	2.511	70	20	CFID	
CC[C@H](C)c1nc2n(c1CS(=O)(=O)Cl)CCCC2	536954094	LDXHSDCYGWYDRU-VIFPVBQESA-N	290.816	2.802	70	20	CFID	
Nc1cc(F)cc(C(=O)OCCOc2ccccc2)c1F	217925687	OGFVXIQIMDRETI-UHFFFAOYSA-N	293.269	2.783	70	20	CFID	
CC[C@H](C)N(CC)C(=O)c1cccc(S(=O)(=O)F)c1	1338069156	TVDZVXSSCOMTMA-JTQLQIEISA-N	287.356	2.605	70	20	CFID	
COc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1N	161022447	GJOPZPWDEKBFMD-YPMHNXCESA-N	292.379	2.811	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCCCO2)C1	161427800	LTRDIXRKRGIISH-MCIONIFRSA-N	253.386	2.840	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2C[C@@H]2C)cc1Cl	160044522	LDWIEKQHBHZELJ-WPRPVWTQSA-N	253.729	2.967	70	20	CFID	
CC(C)n1nnnc1SCC(=O)CCC1CCCC1	160171885	HNURWOVWUUJMFB-UHFFFAOYSA-N	282.413	2.886	70	20	CFID	
CCCOCC(=O)N(C)c1ccc(OC)c(Cl)c1	160181590	KDSAQKBZGKWOSN-UHFFFAOYSA-N	271.744	2.738	70	20	CFID	
CC[C@H](NCCCN1CCCC[C@@H]1C)c1cnn(C)c1	160259262	GJVQJGGKNZHYOP-HOCLYGCPSA-N	278.444	2.725	70	20	CFID	
C[C@@H]1CC[C@@H](CCC(=O)N(C)c2ccc3c(c2)OCO3)O1	160373879	BHSIBGCARJBAAF-YPMHNXCESA-N	291.347	2.726	70	20	CFID	
COc1ccccc1[C@H]1CCN(C(=O)c2ccc(N)cc2)C1	160376823	UWWHVIVGDIKOTC-AWEZNQCLSA-N	296.370	2.907	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc3ccccc3o1)CC2	160551148	RCLIFPCFYGOKSR-FZMZJTMJSA-N	296.374	2.998	70	20	CFID	
CCCn1nc(C)c(C(=O)N(C)Cc2cccn2C)c1C	160834911	NOVVFBFEHDBHEV-UHFFFAOYSA-N	288.395	2.521	70	20	CFID	
Cc1ccc([C@@H](C)N(C)C(=O)[C@H]2CCn3ccnc3C2)cc1	159432765	HOUPLNDKXXZOQC-ZBFHGGJFSA-N	297.402	2.974	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CCCc1nc(C2CC2)no1	159835950	KITVNCAWICOQQR-WCQYABFASA-N	291.395	2.965	70	20	CFID	
CCC(C)(CC)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21	159494625	XQJIEEXZKPVZFY-KBPBESRZSA-N	266.429	2.755	70	20	CFID	
C1CCC(CN2CCN(CCOCC3CC3)CC2)CC1	159701149	GNBYCBIYTWIMPE-UHFFFAOYSA-N	280.456	2.611	70	20	CFID	
CCC(O)(CC)CNC(=O)Nc1ccnc(C)c1Cl	159718460	SVZYYADUBRNWQQ-UHFFFAOYSA-N	285.775	2.716	70	20	CFID	
Cc1ccc(O)c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	159547750	LBALAAVYWRIHLO-BHYGNILZSA-N	279.339	2.769	70	20	CFID	
CCC(C)(C)NC(=O)c1cccc(NC(=O)N(C)C)c1	159364845	DAUOLGFRCHDMFY-UHFFFAOYSA-N	277.368	2.699	70	20	CFID	
CCC[C@@H](O)CNC(=O)[C@H](C)Cc1ccccc1Cl	159392021	DZYOBRGFPIRQOS-DGCLKSJQSA-N	283.799	2.796	70	20	CFID	
O=C1c2ccccc2C(=O)N1CCN1CC[C@@H]2CCCC[C@@H]21	159681979	VUAPTSDHVWHDFU-BBRMVZONSA-N	298.386	2.547	70	20	CFID	
NC1(CNC(=O)[C@@H]2CSc3ccccc32)CCCCC1	159682697	NGMTWWJWQVFIFC-CYBMUJFWSA-N	290.432	2.654	70	20	CFID	
COC[C@H](Nc1nc(C(C)(C)C)ns1)C1CC1	160057320	PIVTWJFLWIDIHK-VIFPVBQESA-N	255.387	2.673	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1	160965410	GLMOJXBMIVIZEL-RYUDHWBXSA-N	286.297	2.705	70	20	CFID	
CCCN(CC1CCCCCC1)[C@H]1CCS(=O)(=O)C1	161112337	JZQMSZHNTYAJTN-HNNXBMFYSA-N	287.469	2.856	70	20	CFID	
CNC[C@H]1CCCN1C(=O)c1csc2c1CC[C@H](C)C2	161329114	OZUOPMRWQZVISI-NWDGAFQWSA-N	292.448	2.697	70	20	CFID	
CS[C@@H](C)CC(=O)N1CCN(CC2CCCCC2)CC1	161434094	NRCZCZNINQRESO-AWEZNQCLSA-N	298.496	2.853	70	20	CFID	
CN(C[C@H]1CCCCO1)C(=O)c1ccc(N(C)C)cc1F	160425872	VESUXYCCUIAUCK-CYBMUJFWSA-N	294.370	2.533	70	20	CFID	
C[C@H](OCC1CC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160522096	NOVHIKUTEBXNKE-DZGCQCFKSA-N	295.423	2.800	70	20	CFID	
COc1ccccc1OC[C@H](C)CNC(=O)NCC(C)C	160567008	KUHARWORROOSID-CYBMUJFWSA-N	294.395	2.665	70	20	CFID	
O=C(NCc1nccs1)[C@H]1C[C@@H]1c1cccc(F)c1F	160739818	NHFHSYANAVSNOM-ZJUUUORDSA-N	294.326	2.841	70	20	CFID	
COc1ccc([C@H](C)N(C)C(=O)[C@@H]2CCCCO2)cc1	160744145	NMFXVSNYNGFCTM-WFASDCNBSA-N	277.364	2.784	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)on1	160768392	KQDSPOCUCSREOJ-LBPRGKRZSA-N	278.352	2.595	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N[C@@H](C)[C@@H](CO)SC	160842067	GIOMRVAAZZQKKY-RWMBFGLXSA-N	290.473	2.614	70	20	CFID	
CC(C)CCC[C@H](C)NC(=O)N1CCC[C@](C)(O)C1	159669559	DXONZRCCOGVBCW-ZFWWWQNUSA-N	270.417	2.758	70	20	CFID	
CCOc1cccc(CN[C@H](COC)c2ccc(C)o2)n1	159477371	RBHCIVRPTKVDOU-CQSZACIVSA-N	290.363	2.859	70	20	CFID	
CN(C)[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159877636	QKKSUQQKGLEPFC-AWEZNQCLSA-N	266.429	2.755	70	20	CFID	
CC[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	159908450	SYNZUCHMVDBRII-WMLDXEAASA-N	290.407	2.737	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H](C)CSC	159939582	OWEFEYKKKCWAAE-GXFFZTMASA-N	279.405	2.798	70	20	CFID	
CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCN(C(C)=O)C1	159546441	YMXUCQCZIFSUNI-HZPDHXFCSA-N	294.439	2.720	70	20	CFID	
CCn1cnnc1CNCc1c(C)cc(C)cc1C	218228827	UQCCROHYMQRTHV-UHFFFAOYSA-N	258.369	2.513	70	20	CFID	
CCNc1nc(C(=O)N[C@H]2CCC[C@@H]2CC)cs1	159499827	BTHBTTLXIAGNRG-UWVGGRQHSA-N	267.398	2.883	70	20	CFID	
COc1cc(N[C@H]2CCCc3cc(N)ccc32)ncn1	159513510	CKXPAKNMZKMDOA-ZDUSSCGKSA-N	270.336	2.557	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N(C[C@H]1CCOC1)C1CC1	161234443	HGZZOQLQPCUZGE-LLVKDONJSA-N	294.782	2.685	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1C[C@H]1C1CCC1	460096958	YJGUBEHXBIJZLF-QWHCGFSZSA-N	297.351	2.720	70	20	CFID	
CC[C@@H](CO[C@H](C)C(F)(F)F)CS(=O)(=O)Cl	117164884	ZLHLIEHETYDJIL-RQJHMYQMSA-N	282.711	2.549	70	20	CFID	
CC[C@H](SC)c1nc(CC(=O)NC2CCCCC2)no1	161222493	PCRKFYJQSWXAHF-NSHDSACASA-N	297.424	2.875	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)COC[C@@H]1CCCO1	161306710	XIYXSIXYSRCBBQ-QLFBSQMISA-N	283.412	2.609	70	20	CFID	
C[C@@H](C(=O)NCCCOC[C@H]1CCCO1)c1ccsc1	160039268	SFNIAFSOXZNRQJ-TZMCWYRMSA-N	297.420	2.554	70	20	CFID	
CCOC(=O)Cc1csc(NC(=O)[C@H]2C[C@]2(C)CC)n1	160406577	OZCBGUHDZNHUSL-YGRLFVJLSA-N	296.392	2.623	70	20	CFID	
CCc1nc(CNC(C)(C)c2cccc(C)c2)n[nH]1	160449381	JTUDVSPOEBLEII-UHFFFAOYSA-N	258.369	2.700	70	20	CFID	
O=C(COCC(F)(F)F)Nc1cccc(OCCF)c1	160666729	XIAWOFRVAYXUMX-UHFFFAOYSA-N	295.232	2.552	70	20	CFID	
CC(C)CSCCCNC(=O)c1cccnc1N(C)C	160779900	GELSNRJBIKYFTO-UHFFFAOYSA-N	295.452	2.657	70	20	CFID	
C[C@@H]1CCC[C@@H](N(C)C(=O)CNC(=O)CC2CCCC2)C1	159910030	WEWBNLZCLXPRLW-UKRRQHHQSA-N	294.439	2.720	70	20	CFID	
CC[C@@H](NC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1F	159728319	MLORBGCQOHISPZ-KGLIPLIRSA-N	282.334	2.674	70	20	CFID	
COCC(C)(C)NC(=O)Nc1ccnc(C)c1Cl	159923685	SETDSXQMQDRGAJ-UHFFFAOYSA-N	271.748	2.590	70	20	CFID	
C[C@@H](N[C@H](CC(N)=O)C1CCCCC1)c1ccccn1	159752044	KZDKMIQYLKWEBO-IUODEOHRSA-N	275.396	2.557	70	20	CFID	
CC(C)c1ccc(CC2CCN([C@H](C)C(N)=O)CC2)cc1	159950460	LYXNLDHCOJLDIC-CQSZACIVSA-N	288.435	2.938	70	20	CFID	
CC[C@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	776367694	CDNXEYOCILDWHB-UWVGGRQHSA-N	287.356	2.966	70	20	CFID	
CCC[C@H](C)CC(=O)N1CCCN(CCC)CC1	160370693	LKWVBPMUKIEZEJ-AWEZNQCLSA-N	254.418	2.757	70	20	CFID	
CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CCC[C@H](N)C1	161014925	IMMMHJHSNHKOKF-ZNMIVQPWSA-N	290.407	2.539	70	20	CFID	
O[C@H](CNc1cnccn1)c1cc2ccccc2s1	161055224	XWOFPPIFRRAPJH-LLVKDONJSA-N	271.345	2.837	70	20	CFID	
Cc1nccc(NC[C@@H]2CCCN(CC(C)C)C2)n1	161296206	GXRSNLWUPORWPC-AWEZNQCLSA-N	262.401	2.565	70	20	CFID	
C[C@H](OCCCNC(=O)[C@@H]1CCCCO1)c1ccccc1	161335684	YLMVVYQDLIOTBI-HOCLYGCPSA-N	291.391	2.840	70	20	CFID	
CCc1ccccc1C(=O)NC[C@H](c1ccco1)N(C)C	161403711	QIALZAOVEMOMMC-OAHLLOKOSA-N	286.375	2.875	70	20	CFID	
CCOCCC1(CNC(=O)N2Cc3ccccc3C2)CC1	161428031	YVWDIZVSUBKPNF-UHFFFAOYSA-N	288.391	2.919	70	20	CFID	
C[C@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)c2ccccc21	160035868	LKZHMNUVJUVWHB-STQMWFEESA-N	281.359	2.596	70	20	CFID	
Brc1cnc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1	160268574	ZCFPVBCAWHLQTH-GHMZBOCLSA-N	298.184	2.609	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)c1ccc(F)cc1	160278965	AXHFPIQVWAUXNV-VXGBXAGGSA-N	295.354	2.777	70	20	CFID	
Cc1cccn2c(CN[C@H]3CCOC(C)(C)C3)cnc12	160456426	MQYJZDAPIOPDEY-ZDUSSCGKSA-N	273.380	2.690	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc(C(C)(C)C)on1	160828393	WUROOWPYXNQAMR-UHFFFAOYSA-N	275.352	2.583	70	20	CFID	
CCCC[C@H](NC1CC=CC1)C(=O)Nc1cc(C)on1	160893410	YZPZQUCNXQIDOW-ZDUSSCGKSA-N	277.368	2.789	70	20	CFID	
C[C@@H]1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@@H]1C	160957411	YPUPTTJTFIYMRM-OLZOCXBDSA-N	299.378	2.777	70	20	CFID	
CC(C)[C@@H](O)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	159407477	SGXOIVCCERJDTQ-GJZGRUSLSA-N	293.407	2.676	70	20	CFID	
CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@](C)(O)C2)cc1	159844638	RSBWKZXUPROONM-CXAGYDPISA-N	290.407	2.866	70	20	CFID	
Cc1cc(C)cc(CCC(=O)Nc2c[nH]c(=O)c(C)c2)c1	159683657	GEXUDPLOZIQXTL-UHFFFAOYSA-N	284.359	2.871	70	20	CFID	
CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccncc1	159904601	GZSGJYIQLZQINA-WDEREUQCSA-N	252.383	2.867	70	20	CFID	
CC(C)c1nc(N[C@@H](C)CC2CC2)nc(N(C)C)n1	159729449	FDRCELPCYPKSAC-JTQLQIEISA-N	263.389	2.662	70	20	CFID	
O=S(=O)(Cl)CCCSc1ccc(F)cc1	100495489	FNZHXYBDJSKBJI-UHFFFAOYSA-N	268.762	2.877	70	20	CFID	
Oc1ccc(CCNc2nnc(C(F)(F)F)s2)cc1	160161084	NRUUUFYBSWJMOB-UHFFFAOYSA-N	289.282	2.917	70	20	CFID	
FC(F)Oc1ccccc1NCc1nnc2n1CCCC2	217317951	YFWXTURPHZJPDC-UHFFFAOYSA-N	294.305	2.828	70	20	CFID	
C[C@@H]1Sc2ccccc2N(CCS(=O)(=O)F)[C@H]1C	883954769	YWMAWKKCHGVWEQ-UWVGGRQHSA-N	289.397	2.675	70	20	CFID	
CCC(=O)N1CC[C@H](C(=O)N(C)CCC2CCCCC2)C1	161345716	MYDLXLFSKATTRQ-HNNXBMFYSA-N	294.439	2.674	70	20	CFID	
CS[C@@H](C)CC(=O)N(C)[C@@H](C)c1ccncc1	161486678	VJWZUGXGZHELKD-QWRGUYRKSA-N	252.383	2.743	70	20	CFID	
CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)CC1CCCC1	160103555	PXEBEYLOOPGDGA-LSDHHAIUSA-N	294.439	2.768	70	20	CFID	
CCC[C@@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160188668	OHHVBYBPWCLAPD-CQSZACIVSA-N	298.427	2.940	70	20	CFID	
C[C@H]1CC[C@H](CCC(=O)N(C)c2ccc3c(c2)OCO3)O1	160373741	BHSIBGCARJBAAF-WCQYABFASA-N	291.347	2.726	70	20	CFID	
Cc1cccc2c(CCC(=O)Nc3cn[nH]c3)c[nH]c12	160398052	LZWAMWGVQSLSRQ-UHFFFAOYSA-N	268.320	2.771	70	20	CFID	
CCOCCCC(=O)N[C@H](CC)c1c(C)noc1C	160597821	COCPISPMHVEPRW-GFCCVEGCSA-N	268.357	2.675	70	20	CFID	
CC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1c(C)noc1C	160722805	OYOFPEWRHBDULV-QWHCGFSZSA-N	280.368	2.818	70	20	CFID	
CCc1nnsc1C(=O)NCCCSCC(C)C	160865713	QGKWSWRKDVZJIQ-UHFFFAOYSA-N	287.454	2.610	70	20	CFID	
CC[C@H](N)C(=O)Nc1ccc(Nc2nc(C)cs2)cc1	159422617	ZAXBVLZOVDIRQB-LBPRGKRZSA-N	290.392	2.871	70	20	CFID	
C[C@@H]1CC[C@@H](CC(=O)NC[C@]2(O)CCc3ccccc32)C1	159435224	LXPCZVZDQYOCHN-HBUWYVDXSA-N	287.403	2.763	70	20	CFID	
C[C@H](CC(=O)N(C)c1ccccc1)N[C@H]1CCCSC1	159636322	FSIJLUPVAQKCRQ-KGLIPLIRSA-N	292.448	2.913	70	20	CFID	
COc1ccc(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1F	159473841	NGFKALCVYDAHIZ-UWVGGRQHSA-N	296.342	2.912	70	20	CFID	
O=C(CC1CCOCC1)NCCOc1ccccc1Cl	159512156	JFYJLCJLFPPVMH-UHFFFAOYSA-N	297.782	2.652	70	20	CFID	
Cc1ncccc1C(=O)N[C@@H]1CCCc2cc(N)ccc21	159373834	HVDUJHYVFNWQNU-MRXNPFEDSA-N	281.359	2.780	70	20	CFID	
CC(C)[C@@H](O)CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159761521	MLEVFAKZJQLSRY-OAGGEKHMSA-N	275.392	2.846	70	20	CFID	
CCc1noc2ncc(C(=O)NCC3(C4CC4)CC3)cc12	159961560	VIXDZNBUTWCKHU-UHFFFAOYSA-N	285.347	2.705	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(C)c(Cl)c1	159792620	PIDTVZUFBMUJLF-UHFFFAOYSA-N	297.786	2.638	70	20	CFID	
C[C@H]1C[C@H](NCCO)c2cccc(Br)c21	159706874	QTXGXCJEDOVNNH-KWQFWETISA-N	270.170	2.579	70	20	CFID	
CNC(=O)C(C)(C)CNc1ccnc2cc(F)ccc12	161063820	MFHMPKIUTPAYER-UHFFFAOYSA-N	275.327	2.558	70	20	CFID	
COCCCC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1	161433809	QOEBWSOVLCIGDC-GFCCVEGCSA-N	297.782	2.746	70	20	CFID	
Cc1cccc([C@@H]2CCCN2C[C@H](O)COCC(C)C)n1	160111311	GZYOVYZHTVKBKN-RDJZCZTQSA-N	292.423	2.560	70	20	CFID	
COc1ccc(C[C@@H](C)C(=O)NC[C@@H]2CCCCO2)cc1	160111540	CHYXYAJCNKUCMF-CJNGLKHVSA-N	291.391	2.559	70	20	CFID	
Cc1ccnc(NC[C@](C)(O)c2ccccc2Cl)n1	160151512	XNDGBNJUZFNFHB-AWEZNQCLSA-N	277.755	2.758	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160390277	OZWMYDKHKCYKRO-CABCVRRESA-N	280.412	2.776	70	20	CFID	
C[C@H]1CCC[C@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160481096	KUSUOJJWPDZEMX-DTWKUNHWSA-N	290.289	2.756	70	20	CFID	
COc1ccccc1OC[C@@H](C)CNC(=O)NCC(C)C	160567135	KUHARWORROOSID-ZDUSSCGKSA-N	294.395	2.665	70	20	CFID	
CCOC[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1	160594634	KZOQVTCVCIOPJD-HUUCEWRRSA-N	290.407	2.850	70	20	CFID	
CC(C)c1ccccc1NC(=O)C[C@H](C)NCC(C)(C)O	160605101	JTWIHAFMRPYBLY-ZDUSSCGKSA-N	292.423	2.888	70	20	CFID	
CCc1ccccc1C(=O)NCC(C)(C)CN(C)C	160702790	DUTHCVCWAJFAMJ-UHFFFAOYSA-N	262.397	2.567	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)N(C)CCC(=O)OC(C)(C)C)C1	160914252	OJDPEQHLJAESQM-OLZOCXBDSA-N	298.427	2.938	70	20	CFID	
CC[C@@H](NCC(=O)NC(C)C)c1cc(F)ccc1F	160929891	IHBMMQBIWDKIQP-CYBMUJFWSA-N	270.323	2.530	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)C1CCC1	160957249	RHGHCPUSRODADW-VIFPVBQESA-N	251.351	2.626	70	20	CFID	
CC(C)NC(=O)CN[C@H](CCc1ccccc1)C(C)C	160983954	UQKAQCDIPJAJRJ-MRXNPFEDSA-N	276.424	2.758	70	20	CFID	
CCC(C)(C)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159808197	SVMKIAUGMVFWIZ-UHFFFAOYSA-N	290.285	2.785	70	20	CFID	
C[C@@H](NCc1cc(F)cc(F)c1)c1nnc2ccccn12	159649746	YMTDTKFEYHAIBE-SNVBAGLBSA-N	288.301	2.858	70	20	CFID	
CCC(CC)[C@H](O)CNC(=O)Nc1ccnc(C)c1Cl	159904528	QOMXEIAFQUUBPI-GFCCVEGCSA-N	299.802	2.962	70	20	CFID	
CCN(CC)C(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160292724	UWRHUCLPBUEQFE-JTQLQIEISA-N	268.332	2.503	70	20	CFID	
C[C@H](c1ccccc1F)N1CCC[C@@H](N(C)C)C1	217139431	ZXFWBBOKZQQAME-CHWSQXEVSA-N	250.361	2.913	70	20	CFID	
Cc1cccc([C@@H]2CCCN2CC(=O)OC(C)(C)C)n1	160021233	LEHBUQRXUXWNTR-AWEZNQCLSA-N	276.380	2.869	70	20	CFID	
CC1(C)CC[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1121032487	REHQQNLKKGNETL-NSHDSACASA-N	299.367	2.653	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C(=O)NC2CC2)cc1	161057858	MUBHPGREAPXWCF-NEPJUHHUSA-N	288.391	2.743	70	20	CFID	
Cc1cc(NC(=O)c2cncc(F)c2)nc(C(C)C)n1	161110292	QTXYQLDCSDPOPU-UHFFFAOYSA-N	274.299	2.695	70	20	CFID	
COC(=O)CCCC(=O)N(C)c1ccc(F)c(Cl)c1	160067781	PWXQNUIQVPXCJV-UHFFFAOYSA-N	287.718	2.785	70	20	CFID	
CC[C@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)N(C)C	160097443	ABBFACKOQWJTPW-CHWSQXEVSA-N	296.411	2.819	70	20	CFID	
CCCCn1ncc(NS(=O)(=O)c2ccccc2)c1C	160189701	ZHJFCXBYINEEBO-UHFFFAOYSA-N	293.392	2.792	70	20	CFID	
CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccn(C)c1	160241085	FPEURNRMAVSWMU-CYBMUJFWSA-N	275.739	2.875	70	20	CFID	
CCCN1CCC[C@@H]1C(=O)N[C@@H](CC)c1c(C)noc1C	160255229	YOQRQRDELSJPGS-UONOGXRCSA-N	293.411	2.733	70	20	CFID	
C/C=C(\C=C\C(=O)NC[C@H](O)c1cccc(F)c1)CC	160332691	AUFJFPGOWUIXAV-HIFPZYAMSA-N	277.339	2.888	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1sccc1C(C)C	160467031	MHZRSPIAEPNFEZ-SNVBAGLBSA-N	283.393	2.943	70	20	CFID	
CC1(C(=O)NCCc2csc(C(C)(C)C)n2)CC1	160654543	ODHDRRIHZCKZEW-UHFFFAOYSA-N	266.410	2.899	70	20	CFID	
CCCN(Cc1nncn1C)[C@@H]1CCc2ccccc2C1	160842153	HBRKTUSZRAYMOP-MRXNPFEDSA-N	284.407	2.585	70	20	CFID	
O=C(CC[C@@H]1CCOC1)N[C@@H]1CCOC2(CCCCC2)C1	160934063	YVROJERHMKTFBL-HUUCEWRRSA-N	295.423	2.801	70	20	CFID	
CCSc1ccccc1[C@H](C)NCC(=O)NC(C)C	160937079	GBVHYOXSHVSSFL-LBPRGKRZSA-N	280.437	2.974	70	20	CFID	
CCC[C@H]1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1	159852546	XDVFKVHWLFEZGQ-AWEZNQCLSA-N	298.390	2.920	70	20	CFID	
Cc1ccccc1[C@@H](C)N[C@H](C)CO[C@@H]1CCOC1	159779027	NLDJWFGJSNZYPZ-RBSFLKMASA-N	263.381	2.840	70	20	CFID	
CC1(C(=O)Nc2cccn(CC(F)(F)F)c2=O)CCC1	159785474	GCQXWIQMRADAJD-UHFFFAOYSA-N	288.269	2.539	70	20	CFID	
CCCCOCC(=O)N[C@@H](CC)c1c(C)noc1C	159980136	WDVAFEUTRMWXNP-LBPRGKRZSA-N	268.357	2.675	70	20	CFID	
CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160263747	BMNAFFIENSWMKI-VHSXEESVSA-N	268.332	2.549	70	20	CFID	
C1CS[C@@H](c2noc(CC3C[C@@H]4CC[C@H](C3)N4)n2)C1	160604954	XCZMREDROZXWRL-FGNRJIRKSA-N	279.409	2.711	70	20	CFID	
CCOCCC1(C(=O)NCc2ccccc2)CCC1	161134898	GQMLMDZYSDEIHN-UHFFFAOYSA-N	261.365	2.900	70	20	CFID	
O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)F)c1	1354032124	QWKJNLLJHRDKMS-UHFFFAOYSA-N	299.367	2.797	70	20	CFID	
O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1O	113270906	IAPTYXCRINNUDF-UHFFFAOYSA-N	261.513	2.627	70	20	CFID	
CCCN(Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1	161097749	FGNUCAGRVBKLPT-INIZCTEOSA-N	295.448	2.703	70	20	CFID	
C[C@@H](C(=O)NCc1cccnc1)c1c(F)cccc1F	161347956	JEMAFBYPUAFIKY-SNVBAGLBSA-N	276.286	2.780	70	20	CFID	
NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	161490011	KFDJOFBVDWCAGB-SSDOTTSWSA-N	286.175	2.977	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)c1ccc(F)cc1	160279111	AXHFPIQVWAUXNV-NEPJUHHUSA-N	295.354	2.777	70	20	CFID	
CC(C)OCCCN1CC[C@@H](Nc2ccccc2)C1	160280073	FJOFCDMXJSXZCH-MRXNPFEDSA-N	262.397	2.988	70	20	CFID	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc[nH]c(=O)c2)c1	160668963	NTOSKEXQUMUFDB-INIZCTEOSA-N	296.370	2.969	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)[C@H]1SCCc2sccc21	160703619	ZLRZKFYQRAEQEB-YPMHNXCESA-N	299.461	2.602	70	20	CFID	
Cc1nnc(CSc2ccc3c(c2)OCCCO3)n1C	160940734	YZANRBKHBLCUJQ-UHFFFAOYSA-N	291.376	2.577	70	20	CFID	
CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1cnn(C)c1C	160997319	QNQXVQOUCSJZBM-ZFWWWQNUSA-N	292.427	2.887	70	20	CFID	
C[C@H](O)C[C@H](CNC(=O)c1ccoc1)c1ccccc1	159614827	KYSFCIAIVMUSBN-SWLSCSKDSA-N	273.332	2.564	70	20	CFID	
Cc1cc(NC(=O)[C@@H](C)OC2CCCCCC2)c[nH]c1=O	159680896	RAZGLQRTMNBKPX-GFCCVEGCSA-N	292.379	2.750	70	20	CFID	
CSc1ccc(OCCN(C)C[C@H]2CCC[C@@H]2O)cc1	159540489	VBQIVEABFXYPEV-CJNGLKHVSA-N	295.448	2.880	70	20	CFID	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1CCCNC1	159756546	XNXNVVBESNOFGN-CVEARBPZSA-N	274.408	2.842	70	20	CFID	
CC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)C1	159952769	KDXORASLAIAUQE-SCRDCRAPSA-N	251.370	2.640	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCn3ccnc3C2)cc1	159381029	RUTLTASGOGBTLL-HIFRSBDPSA-N	283.375	2.631	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC1CC1)CC1CC1	159993886	PPMQFEIOFRBPSS-IAQYHMDHSA-N	263.381	2.640	70	20	CFID	
CCC(CC)CNC(=O)N(CCCO)CC(C)(C)C	160576902	FXJODMNSLBLGGN-UHFFFAOYSA-N	272.433	2.863	70	20	CFID	
CCO[C@@H]1C[C@@H](NCc2cccc3c2OCCO3)C1(C)C	217874270	VMRWOMBYIQQRIM-HUUCEWRRSA-N	291.391	2.751	70	20	CFID	
Cc1ccc(NC(=O)C2(C)CCC2)cc1S(=O)(=O)F	857675312	JEIBQRMYVLCSII-UHFFFAOYSA-N	285.340	2.782	70	20	CFID	
CCc1ccc(CC(=O)NCc2csc(C)n2)cc1	161004673	JXCXPSXGEAAYCU-UHFFFAOYSA-N	274.389	2.873	70	20	CFID	
CCN1CCCC[C@H]1CN[C@H](COC)Cc1ccccc1	161187010	VLGWZKHYFNWWTL-ROUUACIJSA-N	290.451	2.708	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H]1C1CCC1	160128122	BATWUUTXVAPHBP-CQSZACIVSA-N	296.411	2.692	70	20	CFID	
Cc1ccc(C(=O)CCN(C)[C@@H](C)C(=O)OC(C)C)cc1	160177779	RVWLYBBLVTVZFL-AWEZNQCLSA-N	291.391	2.840	70	20	CFID	
CC(=O)c1cccc(NC(=O)NCC2(CO)CCCC2)c1	160339255	NJOKZHRBCBNYNU-UHFFFAOYSA-N	290.363	2.563	70	20	CFID	
Cn1nncc1CN(Cc1ccco1)Cc1cccs1	160653365	PIJNJMFCHSHCML-UHFFFAOYSA-N	288.376	2.672	70	20	CFID	
COCC[C@@H](C)NCc1nnc(-c2ccccc2)s1	160738986	MPXDUEZVDSNLJV-LLVKDONJSA-N	277.393	2.720	70	20	CFID	
Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1cccnc1)CO2	160779662	FXCWGPLXLFULGO-IUODEOHRSA-N	297.358	2.884	70	20	CFID	
CC[C@@H](NC(=O)[C@H](C)OCC1CC1)c1c(C)noc1C	159969838	CQDYASVOQAJLCM-WCQYABFASA-N	280.368	2.674	70	20	CFID	
Cc1ccccc1[C@@H](C)N[C@@H](C)CO[C@@H]1CCOC1	159778779	NLDJWFGJSNZYPZ-RRFJBIMHSA-N	263.381	2.840	70	20	CFID	
Cc1ccccc1OCCCN(C)C[C@H]1CCC[C@@H]1O	159585561	OXOSORXMTQLYBS-CVEARBPZSA-N	277.408	2.857	70	20	CFID	
Cc1ccc(C(=O)CCN2CCOCC23CCC3)cc1	160937267	KNPRQNQPLUVNOS-UHFFFAOYSA-N	273.376	2.823	70	20	CFID	
CC(C)(C)OC(=O)NCc1nnc(C(C)(C)C)s1	218424665	NOBGTXNWZZZTFC-UHFFFAOYSA-N	271.386	2.860	70	20	CFID	
CCOCCCN1CCN(c2ccc(Cl)cc2)CC1	159678023	ZLPLBBKOUXGFQA-UHFFFAOYSA-N	282.815	2.889	70	20	CFID	
CCC[C@@H](NCC(=O)NC(C)C)c1ccc(OC)cc1	160917583	PKFGQIYVTSZTBC-OAHLLOKOSA-N	278.396	2.651	70	20	CFID	
Cc1cscc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864242510	IHOQHQBQFIQIBJ-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CCOc1ccc([C@H](F)CS(=O)(=O)Cl)cc1	1537958752	JAZCTQDOHZCRHP-SNVBAGLBSA-N	266.721	2.665	70	20	CFID	
CC[C@H](C(=O)N1CC[C@]2(CCOC2)C1)c1ccc(F)cc1	161004420	KFFHDQPIBXSRFD-RDJZCZTQSA-N	291.366	2.958	70	20	CFID	
COC[C@@H](NC[C@H](C)COCc1ccccc1)C1CC1	161316239	UXMNLZOTNJQMQX-WMLDXEAASA-N	277.408	2.854	70	20	CFID	
O=C([C@@H]1CCCCO1)N(Cc1ccco1)CC(F)(F)F	160112920	XDZWBBIJAZJJHP-NSHDSACASA-N	291.269	2.740	70	20	CFID	
CS[C@@H](C)CNC(=O)N1CCc2cccc(F)c2C1	160208291	GWGOCQQTAXFNJJ-JTQLQIEISA-N	282.384	2.645	70	20	CFID	
O=C(c1c[nH]c2ccccc2c1=O)N1CC[C@@H]2CCCC[C@@H]21	160329386	RFJICEWRJYSCGA-LRDDRELGSA-N	296.370	2.933	70	20	CFID	
CCCN(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CC1	160403882	QIIMBARMQIXGTR-TZMCWYRMSA-N	266.385	2.528	70	20	CFID	
CCO[C@H](CC)C(=O)NCCc1csc(C(C)(C)C)n1	160614452	MRDSDOHVHCEBCG-GFCCVEGCSA-N	298.452	2.914	70	20	CFID	
CC[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CCO1	160823246	WPGVAROKULLTNF-AVGNSLFASA-N	279.405	2.797	70	20	CFID	
O=C(NC1CC=CC1)c1cc(-c2ccccc2)no1	160853164	MZKBXVCUXWWDQV-UHFFFAOYSA-N	254.289	2.790	70	20	CFID	
CCCCNc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1O	159809646	WBUSJSZOGSLCED-CVEARBPZSA-N	290.407	2.932	70	20	CFID	
CCOc1ccccc1N(C)Cc1noc(CC)n1	159427209	OOYKFKXOEHOVOA-UHFFFAOYSA-N	261.325	2.667	70	20	CFID	
CN(CC(C)(C)O)C(=O)CC1CCC(C)(C)CC1	159631701	PGSLBDNKMMTLHN-UHFFFAOYSA-N	255.402	2.822	70	20	CFID	
C[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1Cl	159830587	WMALRHGKZUFVKR-IAQYHMDHSA-N	296.798	2.957	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C)cc1	159547117	CVOBGUWNWNVEMR-CJNGLKHVSA-N	274.364	2.763	70	20	CFID	
CCC[C@](C)(NCCC(=O)c1ccc(C)cc1)C(=O)OC	159742309	DWHNMUCRBLSEFT-KRWDZBQOSA-N	291.391	2.889	70	20	CFID	
Cc1ncccc1NC(=O)C[C@H]1CSCCS1	159574709	KZGUXFYMRRCDSX-JTQLQIEISA-N	268.407	2.567	70	20	CFID	
CCOC1CC(Nc2cc(OC)c(OC)c(OC)c2)C1	159369572	HLXPEGLVQBZOOS-UHFFFAOYSA-N	281.352	2.692	70	20	CFID	
Oc1ccc(CN[C@H]2CCc3c(O)cccc32)cc1	161479654	XVQUCBDKXZOJRM-HNNXBMFYSA-N	255.317	2.875	70	20	CFID	
COc1ccc(CNC(=O)Nc2ccc(C)nc2)cc1	217271413	ZPZVLWSTZOUPIE-UHFFFAOYSA-N	271.320	2.720	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1(F)CCCC1	776364509	UENDQDBTJMBCBR-UHFFFAOYSA-N	289.303	2.566	70	20	CFID	
O=C(c1cc[nH]c1)N(Cc1ccccc1)CC1(O)CCCC1	161157578	SKTNFOVVFOJRAY-UHFFFAOYSA-N	298.386	2.962	70	20	CFID	
CS(=O)(=O)CCCCN(Cc1ccc(F)cc1)C1CC1	161263674	SLDGNNWQWGUYGH-UHFFFAOYSA-N	299.411	2.615	70	20	CFID	
CCOc1cccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)c1	161303780	AAFQNIFSONSXQF-GXTWGEPZSA-N	292.379	2.853	70	20	CFID	
CCNC(=O)C(C)(C)CNc1ccc(C(F)(F)F)cn1	161339869	WPNMDURPZWCNAN-UHFFFAOYSA-N	289.301	2.675	70	20	CFID	
CCCn1nccc1CNCc1cccnc1OC(C)C	160116116	UMUYQUCRWJMLCO-UHFFFAOYSA-N	288.395	2.765	70	20	CFID	
Cc1cccc([C@@H](C)NCCN2CCC(N(C)C)CC2)c1	160283382	JWWDUACBDUEISN-MRXNPFEDSA-N	289.467	2.672	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(N2CCNC2=O)cc1	160413361	JUGPSGRRZURNIN-BBRMVZONSA-N	287.363	2.591	70	20	CFID	
C[C@H]1CCC[C@@H](CNC(=O)c2cccc3[nH]c(=O)oc23)C1	160781587	NCUIFAHYCAQREU-WDEREUQCSA-N	288.347	2.677	70	20	CFID	
COc1ccc(C(C)(C)C(=O)N(C)C(C)C)cc1OC	160822513	MBWQTGYLWJFQRD-UHFFFAOYSA-N	279.380	2.848	70	20	CFID	
Cc1ccc(-n2ccnc2SCc2nncn2C)cc1C	160991115	OFBASNKPGWBARM-UHFFFAOYSA-N	299.403	2.910	70	20	CFID	
C[C@H](NC[C@@H](C)N1CCc2ccccc2C1)c1cnccn1	159806937	CGSUFVRILURWSX-CABCVRRESA-N	296.418	2.574	70	20	CFID	
C[C@@H]1OCCN(C(=O)NCC(C)(C)c2ccccc2)[C@@H]1C	159879462	OPQYKSSOKOUSMC-KGLIPLIRSA-N	290.407	2.783	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)c1ccnc(OCC(F)F)c1	159778748	ULJRKDUYUGDRMQ-NXEZZACHSA-N	286.322	2.890	70	20	CFID	
Cc1cccc([C@@H](NC(=O)c2ccon2)c2ccccn2)c1	159788429	VWUCOMFHMKFKEZ-MRXNPFEDSA-N	293.326	2.897	70	20	CFID	
C[C@H](CN[C@H]1CCCc2cccnc21)N(C)C1CC1	217596349	RZYUUSKRARDKOV-DOMZBBRYSA-N	259.397	2.531	70	20	CFID	
CCc1ncnc(NCCCN2CCCC[C@@H]2C)c1F	217960528	QDIYNQKAYGYAIL-LBPRGKRZSA-N	280.391	2.855	70	20	CFID	
CC1(C(=O)NCCNC2CCCCCC2)CCC1	159671288	BOAJIFGDYKGMMM-UHFFFAOYSA-N	252.402	2.605	70	20	CFID	
C[C@@H](NCc1cncc(Br)c1)C1CC1	160561214	KDOSIKYUSLVSBU-MRVPVSSYSA-N	255.159	2.732	70	20	CFID	
Cc1ccc([C@H](C)S(=O)(=O)Cl)cc1[N+](=O)[O-]	88251279	MEMCGOMKCMPCIW-ZETCQYMHSA-N	263.702	2.533	70	20	CFID	
Cc1sc2ncnc(N[C@]3(C)CCOC3)c2c1C	160006601	AQTFZBBTMNWRND-CYBMUJFWSA-N	263.366	2.899	70	20	CFID	
CC1(C)C[C@@H](NCCc2ccc3c(c2)OCO3)C(C)(C)O1	161146273	DJCHAJZUVKAHAD-OAHLLOKOSA-N	291.391	2.894	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cnn(Cc2ccccc2)c1	161393014	FEMDIVXCIRUGNN-ZIAGYGMSSA-N	283.375	2.944	70	20	CFID	
COc1ccc2c(c1)OC[C@H](C(=O)N1[C@@H](C)CC[C@H]1C)C2	161486467	VSZADNXAOOWIJZ-MBNYWOFBSA-N	289.375	2.646	70	20	CFID	
CCN(CC)C(=O)CSc1nc(C(C)(C)C)ns1	160081758	CRQIYCQEWARDIM-UHFFFAOYSA-N	287.454	2.796	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCCC[C@@H]1C(C)C	160105126	RPWRFTGYWWZVHZ-CQSZACIVSA-N	298.427	2.938	70	20	CFID	
CCc1cc(O)nc(CN(CC)CCc2ccccc2)n1	160878146	AMRQZMFGGQRWBR-UHFFFAOYSA-N	285.391	2.809	70	20	CFID	
C[C@H](NC(=O)NC1CCCCC1)[C@H](O)Cc1ccccc1	160958981	LIJAYKYEEDNUPC-XJKSGUPXSA-N	290.407	2.610	70	20	CFID	
c1cc2c(c(CNCCCCn3ccnc3)c1)NCCC2	159402335	FDFOPMHJNXFDNS-UHFFFAOYSA-N	284.407	2.811	70	20	CFID	
CCCn1c(C)nnc1CN1CCC2(CCCC2)C1	159840555	RAJBKYMPVCYDKX-UHFFFAOYSA-N	262.401	2.763	70	20	CFID	
CSC[C@](C)(O)CNCc1ccc2c(c1)CC(C)(C)O2	217841093	ZTIUEHPPZFVNOP-MRXNPFEDSA-N	295.448	2.604	70	20	CFID	
CC(C)(C)[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2)C1	159515380	KYCVBDLJEMSBQN-ZIAGYGMSSA-N	260.381	2.581	70	20	CFID	
C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)N1CCCC1	159715173	CDIPJRHWPQQINT-MBNYWOFBSA-N	276.380	2.504	70	20	CFID	
CCc1nc(CN[C@@H](C)c2cc(C)sc2C)n[nH]1	160307122	WAVJVWMIMZKWNK-VIFPVBQESA-N	264.398	2.896	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)CSc2ccccc2Cl)C1	161373707	XDALUXLJXKVPKX-GHMZBOCLSA-N	298.839	2.818	70	20	CFID	
CCOC(=O)CCN(C)C(=O)/C=C\c1ccc(Cl)cc1	217380823	WSTBSWZHVKBUPV-TWGQIWQCSA-N	295.766	2.765	70	20	CFID	
CCOCCCN1CC[C@H](c2ccc(OC)cc2)C1	160034543	HGJXRBNJRGINPP-HNNXBMFYSA-N	263.381	2.911	70	20	CFID	
CC1(C)C(NC(=O)c2cccc(S(=O)(=O)F)c2)C1(C)C	1336960853	AZOWRKZWYFQQBD-UHFFFAOYSA-N	299.367	2.509	70	20	CFID	
CC(C)(C)OC1CCN(C(=O)c2cc(F)ccc2O)CC1	161007070	BYXPHHLKUUJVII-UHFFFAOYSA-N	295.354	2.951	70	20	CFID	
CCOCCC1(CNC(=O)C2[C@@H]3CCC[C@@H]23)CCC1	161177197	NLULBGSWPNADCQ-CHWSQXEVSA-N	265.397	2.746	70	20	CFID	
CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CO)CC(C)C	161191537	WGIVUFUDNHQAHK-GOEBONIOSA-N	293.407	2.676	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C)nn1C	161224127	XFMVLGGSXXVAGI-OLZOCXBDSA-N	263.385	2.769	70	20	CFID	
CCO[C@H](CCNC(=O)Nc1ccc(C)nc1)C(C)C	161326110	AQIUXHLXQOVWFX-CQSZACIVSA-N	279.384	2.963	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CCCS1	160175128	UXQYZFNFCARJSS-CABZTGNLSA-N	297.424	2.590	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@H](CC)c1c(C)noc1C	160216134	KMZVHWBDUONOQQ-BXKDBHETSA-N	268.357	2.674	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)n1	160239200	NMMIAUAUTZRBFO-OLZOCXBDSA-N	294.399	2.618	70	20	CFID	
CC[C@H](NC(=O)[C@@H](C)CSC)c1c(C)noc1C	160307340	WRVOLMTWOYOISN-KWQFWETISA-N	270.398	2.858	70	20	CFID	
C[C@@H]1CCC[C@H](OCCCS(=O)(=O)Cl)C1	112395391	BTCWIMFYCONMET-ZJUUUORDSA-N	254.779	2.540	70	20	CFID	
C[C@@H](NCc1ccc(CN2CCOCC2)cc1)C1(C)CC1	160621796	QIZYYWMDGHPMER-OAHLLOKOSA-N	288.435	2.797	70	20	CFID	
CN(C(=O)C[C@@H]1C=CCC1)c1ccc2c(c1)OCO2	160634719	JWRWSYVQZUUIMF-LLVKDONJSA-N	259.305	2.734	70	20	CFID	
Cc1conc1NC(=O)c1csc([C@H]2CCCO2)n1	160781869	ZEXRYSQFDZCSBF-SECBINFHSA-N	279.321	2.543	70	20	CFID	
CCC[C@H](C(=O)Nc1nnc(C(=O)OCC)s1)C(C)C	160909888	SRJYFXIARWYCFF-VIFPVBQESA-N	299.396	2.726	70	20	CFID	
COc1ncc(C)cc1NC(=O)C[C@H](C)c1ccncc1	160973887	JOAFYNJWLQSBPX-LBPRGKRZSA-N	285.347	2.926	70	20	CFID	
Cc1nccc(N[C@H]2CC[C@H](Nc3ccnc(C)n3)CC2)n1	160974552	JEMWAMWBUDQNMV-OKILXGFUSA-N	298.394	2.719	70	20	CFID	
COCCN1CC[C@H](c2cccc(Br)c2)C1	217246784	BPBSNVAIMLPYDD-LBPRGKRZSA-N	284.197	2.885	70	20	CFID	
COc1ccc([C@H](C)NC(=O)Nc2ccncc2)cc1	217309299	FYPBVZBLCZTNKH-NSHDSACASA-N	271.320	2.973	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ccc(OC)cc1	161051057	YUZQJFVDWNVJOL-IBGZPJMESA-N	279.361	2.862	70	20	CFID	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1=CCCC1	161473932	IBSGAPMCUOKSGB-BZUAXINKSA-N	253.345	2.799	70	20	CFID	
O=C(COc1ccc2[nH]ccc2c1)NC(C1CC1)C1CC1	160021114	JAMFDOCZJVZMNX-UHFFFAOYSA-N	284.359	2.852	70	20	CFID	
CCCCOCCCNC(=O)C[C@H]1CNc2ccccc21	160317025	KIDWFAQIHJNIHR-AWEZNQCLSA-N	290.407	2.909	70	20	CFID	
CC[C@@H]1CN(Cc2c(C)nc3ccccn23)C[C@H](C)O1	160345507	FGFJTFCMFVEWLY-GXTWGEPZSA-N	273.380	2.642	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N[C@H](C)CN2CCCCC2)on1	160369836	GHLZMJUQDYYTEH-QWHCGFSZSA-N	293.411	2.792	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1	160411395	VMPXUBOCRCOSFY-PBHICJAKSA-N	286.375	2.954	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2	160565854	XEEMENDIWVBLDM-GFCCVEGCSA-N	289.375	2.637	70	20	CFID	
CC[C@H](C)CS(=O)(=O)Oc1cccc(-n2ccnc2)c1	160752667	DKKPRMIERRLUFC-LBPRGKRZSA-N	294.376	2.627	70	20	CFID	
CCc1nc(CSCCCCS(C)(=O)=O)cs1	160927575	OUZQYRPFKLGEPX-UHFFFAOYSA-N	293.479	2.764	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCOCC1	160934089	BWFVAQUTJGHMRE-JSGCOSHPSA-N	253.386	2.840	70	20	CFID	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2CCCN2)C1	159895250	MFKKMGZFJIPIGE-XHSDSOJGSA-N	286.419	2.842	70	20	CFID	
C[C@H](N(C)C(=O)NCCc1cscn1)C1(C)CC1	159380184	WSTUBYYWUBMJNW-JTQLQIEISA-N	267.398	2.516	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1	217766257	DRNKQXQNAPCILH-VVLHAWIVSA-N	281.488	2.617	70	20	CFID	
Cc1cc(NC[C@H]2CCC[C@@H](C)C2)n2ncnc2n1	217926771	FSMXPMXTTOQLHC-PWSUYJOCSA-N	259.357	2.671	70	20	CFID	
O=S(=O)(Cl)CCCOc1ccc(F)c(Cl)c1	108304270	WEQAAIXXNROHIR-UHFFFAOYSA-N	287.139	2.817	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)C12CC3CC(CC(C3)C1)C2	160531448	ABMYWQQBHMSKSI-RDVIWEACSA-N	279.424	2.726	70	20	CFID	
CCO[C@H]1C[C@@H](NCC2(N(C)C)CCCC2)C12CCC2	160686254	DIZIAYMVQKQBDX-CABCVRRESA-N	280.456	2.798	70	20	CFID	
CC(C)C1(CNC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1	160818760	DYXCPGKMKJBJPT-HIFRSBDPSA-N	274.408	2.875	70	20	CFID	
CC(C)=CCOC(=O)c1ccc2c(c1)OCCCO2	217402077	IJIBIKODVXUPHW-UHFFFAOYSA-N	262.305	2.971	70	20	CFID	
O=C(CCC1CCC1)Nc1cccc(S(=O)(=O)F)c1	787899702	WRZQONRJQDNAFB-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1cccc(OC)c1	161061185	LTTLNZAYCJCOJR-IBGZPJMESA-N	279.361	2.862	70	20	CFID	
COCCC1(C(=O)NCc2cc3ccccc3[nH]2)CC1	161090344	WMFQBXUISGRLCM-UHFFFAOYSA-N	272.348	2.601	70	20	CFID	
CCCCOCC(=O)OCc1nc(C)sc1C	161476701	IEAKTSNJGCBRAL-UHFFFAOYSA-N	257.355	2.620	70	20	CFID	
c1nc2c(c(N[C@H]3CCO[C@H](C4CC4)C3)n1)CCCC2	160418694	HNRMVVSORDTYLS-WFASDCNBSA-N	273.380	2.725	70	20	CFID	
Cc1cnccc1NC(=O)C[C@H](C)c1ccncc1	160483788	QMMSXYVFKPQYFZ-NSHDSACASA-N	255.321	2.917	70	20	CFID	
N[C@H]1CCC[C@@H](C(=O)NCCc2cc3ccccc3o2)C1	160486885	PLWPKODGETWBRV-KGLIPLIRSA-N	286.375	2.609	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N2CCCSCC2)on1	160774796	RIMROOCQMXVGHG-SNVBAGLBSA-N	268.382	2.767	70	20	CFID	
COC[C@H]1CCCN1C(=O)C1CCC(C)(C)CC1	160977763	MQEPWBHFPSDYDN-CYBMUJFWSA-N	253.386	2.840	70	20	CFID	
Cc1cc(NC(=O)/C=C/SCc2ccco2)c[nH]c1=O	159486550	HYRQUBYVBXZESX-GQCTYLIASA-N	290.344	2.662	70	20	CFID	
CCC[C@@](C)(O)C(=O)NCc1ccc(OC)c(Cl)c1	159502185	YKTGAFXMFFMHJL-CQSZACIVSA-N	285.771	2.516	70	20	CFID	
CC(=O)c1cnc(NC(=O)[C@@H]2CCCCCC[C@@H]2N)s1	159507515	GUCMLASRIRMCHI-MNOVXSKESA-N	295.408	2.582	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cncn2)cc1	159742200	SRMICUOANSCWHV-WFASDCNBSA-N	284.363	2.576	70	20	CFID	
Cc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCCC2)c(C)c1	159729000	GREHKWPMUCTKOT-HUUCEWRRSA-N	274.408	2.965	70	20	CFID	
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)c(C)c1	159728743	GREHKWPMUCTKOT-CABCVRRESA-N	274.408	2.965	70	20	CFID	
CCc1ccc([C@@H](C)NCC(=O)NCC(F)(F)F)s1	160618880	FWPSDFRPEVOYEN-MRVPVSSYSA-N	294.342	2.640	70	20	CFID	
CS(=O)(=O)CCc1c(Cl)cccc1Cl	217993158	ZSCLFXLODAOMSM-UHFFFAOYSA-N	253.150	2.581	70	20	CFID	
CS[C@@H](C)CNC(=O)NCCc1c(C)cccc1C	160679696	KAQAIJCHSHLZKW-ZDUSSCGKSA-N	280.437	2.897	70	20	CFID	
C[C@@H]1CN(C(=O)c2ccc(N)cc2)[C@@H](c2ccccc2)CO1	161086983	TVNNRTGMVXVUTB-CXAGYDPISA-N	296.370	2.871	70	20	CFID	
CCNCC1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1	161095882	RILQLLWBFDEBCY-HIFRSBDPSA-N	266.429	2.661	70	20	CFID	
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC2(C)C)c1	161382199	GXPGCDBFMKRHDZ-GWCFXTLKSA-N	290.363	2.645	70	20	CFID	
CCCCOCCCNc1nc(C(=O)OCC)cs1	160566775	DQHXQTGMQBVTEI-UHFFFAOYSA-N	286.397	2.939	70	20	CFID	
CC(C)CCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1	160634396	TZRJQBNERIKQAW-OAHLLOKOSA-N	293.455	2.691	70	20	CFID	
CCCn1c(NC(=O)[C@H]2CCCCO2)nc2ccccc21	159689125	LPQWJMYKFHDGLM-CQSZACIVSA-N	287.363	2.954	70	20	CFID	
CS[C@H](C)CNC(=O)NC[C@@H](c1cccnc1)C(C)C	159513306	CUWPORUETGRRQC-TZMCWYRMSA-N	295.452	2.872	70	20	CFID	
CCC(=O)N1CCOc2cc(Br)ccc21	217240099	NWBNZSLNVDTSPJ-UHFFFAOYSA-N	270.126	2.585	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1120944718	WEZTWRQLZFVPRF-ZWNOBZJWSA-N	299.367	2.653	70	20	CFID	
O=S(=O)(Cl)CC1(F)C2CC3CC(C2)CC1C3	1537958581	DHQSECIKWOFSGM-UHFFFAOYSA-N	266.765	2.719	70	20	CFID	
CC(C)(C)Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	100643043	PFSMSHIHPYVJEN-UHFFFAOYSA-N	293.728	2.700	70	20	CFID	
CC(C)c1ccsc1C(=O)NC[C@H](C)CCO	161035391	FXTWDFKZHRLENX-SNVBAGLBSA-N	255.383	2.620	70	20	CFID	
C[C@H]1[C@@H](C)OCCN1C(=O)C1CCC(C)(C)CC1	161298081	VNFUTKUSDAISCF-NWDGAFQWSA-N	253.386	2.839	70	20	CFID	
CNC(=O)c1cccc(NC(=O)C2(C)CCCCC2)c1	161425650	IUJXNGJNJOGIBN-UHFFFAOYSA-N	274.364	2.955	70	20	CFID	
Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[C@H](N)C3)on2)cc1	161506552	SKJNALHEHHAHOH-KBPBESRZSA-N	299.374	2.650	70	20	CFID	
CC(C)CNC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1	160187942	FEHXOQVZUXOSCV-WCQYABFASA-N	282.409	2.876	70	20	CFID	
CCOc1ccc([C@H](C)N[C@H](CCO)CSC)cc1	160404214	GARFCEFOFIUSCH-GXTWGEPZSA-N	283.437	2.850	70	20	CFID	
C[C@@H](N[C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1	160720180	CGMAOMZOTHXAQM-BMFZPTHFSA-N	263.381	2.515	70	20	CFID	
CC(=O)c1csc(C(=O)N(C)Cc2cccn2C)c1	160999087	MBUIDIXLOFHVKM-UHFFFAOYSA-N	276.361	2.561	70	20	CFID	
CCc1ccc([C@H](CNC(=O)C2(C)CC2)N(C)C)cc1	159652292	ZUBLWMWIXPDIOU-HNNXBMFYSA-N	274.408	2.768	70	20	CFID	
CCc1ncnc(NCCOC2CCCCC2)c1F	217985091	GJJVGHDUFOTREY-UHFFFAOYSA-N	267.348	2.939	70	20	CFID	
CCNc1nc(C(=O)N(CC)C2CCCC2)cs1	159569827	GTLNLDJUWSTYCE-UHFFFAOYSA-N	267.398	2.980	70	20	CFID	
NC(=O)CC1CCN(Cc2cc3ccccc3s2)CC1	159746401	SBTAAIOEPMLPDJ-UHFFFAOYSA-N	288.416	2.989	70	20	CFID	
OCc1cccc(CNc2nnc(C(F)(F)F)s2)c1	160406003	RHZCYIJZHMBWRP-UHFFFAOYSA-N	289.282	2.661	70	20	CFID	
CCC(CC)(CN)C(=O)N[C@H]1CCc2c(C)cccc21	161215780	AEGKRXNYLLXJOP-HNNXBMFYSA-N	274.408	2.864	70	20	CFID	
C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864238111	FBKOZMRHUUUXRY-GXFFZTMASA-N	299.367	2.653	70	20	CFID	
C[C@H]1[C@@H](C)Sc2ccccc2N1CCCS(C)(=O)=O	161143753	KFWRGGJZGWDKLG-NWDGAFQWSA-N	299.461	2.810	70	20	CFID	
O=C(/C=C/C1CCCCC1)N[C@@H]1CCN(c2ccccn2)C1	161241396	PSDSNTJDZQKDRR-ZNFPLGDCSA-N	299.418	2.913	70	20	CFID	
CC[C@@H]1CCCN(C(=O)CCNC(=O)C2CCCCC2)C1	160077228	SXYGJRXLEUWVMD-CQSZACIVSA-N	294.439	2.722	70	20	CFID	
FC(F)(F)c1ccc(N2CCC(n3ccnn3)CC2)nc1	160199360	LEXGYRGLQUEWNK-UHFFFAOYSA-N	297.284	2.533	70	20	CFID	
Nc1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc2ccccc12	160391721	USGURHLWIMYUJM-BXUZGUMPSA-N	284.363	2.582	70	20	CFID	
COCC(C)(C)C(=O)NCCc1nc2ccccc2s1	160401586	JVISWIJZZYSPNI-UHFFFAOYSA-N	292.404	2.628	70	20	CFID	
CCn1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c1=O	160575114	ZSCNDRTYSXPDQS-CABCVRRESA-N	299.374	2.595	70	20	CFID	
CC[C@H](C)OCC(=O)NCc1cccc(CN(C)CC)c1	160595476	DGIQSFAGRVZZDY-AWEZNQCLSA-N	292.423	2.570	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)N1CCc2cc(C(=O)OC)ccc21	160768156	TYUHXALXZQJYPZ-GUYCJALGSA-N	287.359	2.799	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@@H](C)OC1CCCCCC1	160792056	HFNBGXSTIVIGLJ-ZIAGYGMSSA-N	285.428	2.638	70	20	CFID	
CCCCN1CCc2ccc(NC(=O)c3cnn(C)c3)cc21	160964424	BHTKCZIBMHDSOE-UHFFFAOYSA-N	298.390	2.835	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCC[C@@H](C)C2)c1	160981230	XWQOJHBOUWTYBM-SECBINFHSA-N	282.365	2.799	70	20	CFID	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CN(C)C	159482563	DTHYBSAPJMONIM-MRXNPFEDSA-N	276.424	2.726	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@@H](C)C[C@@H](C)O)c1C	159783509	OZUCBNUGNXHMSZ-NWDGAFQWSA-N	296.415	2.520	70	20	CFID	
CCOc1ccc(CN2[C@H]3CC[C@H]2CC(=O)C3)cc1	217714797	LTPFUUMNCGYHAZ-KBPBESRZSA-N	259.349	2.781	70	20	CFID	
NC1(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1	159478809	WVDXMJIWDHFRPF-HUUCEWRRSA-N	278.440	2.981	70	20	CFID	
NCc1ccc(CNC(=O)CCCc2cccs2)cc1	159577350	SLFNRCQAGSONPE-UHFFFAOYSA-N	288.416	2.846	70	20	CFID	
CC(C)[C@H]1CN(C(=O)c2cccc3[nH]cnc23)CCS1	159740589	VNPZYUKYUQASNR-CYBMUJFWSA-N	289.404	2.777	70	20	CFID	
CCOC(=O)[C@@H]1CCCN1C(=O)c1cccc(C)c1Cl	160406253	VOLLWRYTLMABTB-LBPRGKRZSA-N	295.766	2.816	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)c1ccccc1C(F)(F)F	160764179	DTIKACOITFPGMP-LBPRGKRZSA-N	289.297	2.842	70	20	CFID	
CNC[C@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C1	161202204	KOSUPCPTMYLNBB-SNVBAGLBSA-N	292.379	2.722	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N(C[C@@H]1CCOC1)C1CC1	161234313	HGZZOQLQPCUZGE-NSHDSACASA-N	294.782	2.685	70	20	CFID	
Cc1sccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238866	QUAPROJNKKVYIU-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CSCCN(C)[C@H]1CCCN(c2ccccc2F)C1=O	161375357	HWBARQFPCGTMEF-AWEZNQCLSA-N	296.411	2.616	70	20	CFID	
C[C@@H](N)C(=O)N[C@H](CC1CCCCC1)C(C)(C)C	160073626	BFMGYLUCCGFUCA-DGCLKSJQSA-N	254.418	2.835	70	20	CFID	
CCn1cc(C(=O)N[C@@H]2CCCc3sccc32)cn1	160087336	BWSPMLINFPSLBD-GFCCVEGCSA-N	275.377	2.772	70	20	CFID	
CN(C)c1cccc(CNc2nc(C(C)(C)C)ns2)n1	160114143	KEWCEINHNWHCLB-UHFFFAOYSA-N	291.424	2.909	70	20	CFID	
COc1ccc(OCCC(=O)NCC2(C3CC3)CC2)cc1	160233995	RPNABMHXQVCEHA-UHFFFAOYSA-N	289.375	2.771	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C	160293424	PBKJIVUFGDIZCF-CZUORRHYSA-N	291.391	2.884	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3cscc3C)[nH]2)o1	160310575	XMQHQPIOZFJNTB-UHFFFAOYSA-N	288.332	2.995	70	20	CFID	
C[C@H](NCc1ccc(CN2CCOCC2)cc1)C1(C)CC1	160621658	QIZYYWMDGHPMER-HNNXBMFYSA-N	288.435	2.797	70	20	CFID	
CCc1ccc(/C=C/C(=O)N2CC[C@H]3CC[C@H](C2)N3C)o1	160639923	IXUSQOVTQXEAHC-SJXIGLKTSA-N	288.391	2.550	70	20	CFID	
CCCC1(CNC(=O)Cc2c(C)noc2Cl)CC1	160726504	RRXAHRIKGZXTDE-UHFFFAOYSA-N	270.760	2.875	70	20	CFID	
CCN(CC)[C@@H]1CCN(Cc2c(C)nc3ccccn23)C1	160876839	QDFDEXDYRRBPFP-OAHLLOKOSA-N	286.423	2.559	70	20	CFID	
Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](C)N)c1	160984199	SMCCYTNIFZPSIR-HIFRSBDPSA-N	260.381	2.786	70	20	CFID	
CC(C)(C)c1ccc(NC(=O)NC2(CO)CC2)cc1	159816438	DUHMMOMVRIKXCN-UHFFFAOYSA-N	262.353	2.631	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)c1n[nH]c2c1CCC2	159835522	VLYVHXFEDWXRCO-LLVKDONJSA-N	287.388	2.767	70	20	CFID	
CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1	159664057	MYVZFYXINULQEH-HNNXBMFYSA-N	272.392	2.740	70	20	CFID	
CC1CCN(CCCNC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1	159943382	KAWJWKHPHZKLOS-HZPDHXFCSA-N	295.471	2.796	70	20	CFID	
CCN(CC)[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159754526	LTDGHOLMGLKRCR-NSHDSACASA-N	282.457	2.756	70	20	CFID	
CCOC(=O)N1CCC(Nc2ccc(F)c(OC)c2)CC1	159954455	WNHBXXGDBZEGLH-UHFFFAOYSA-N	296.342	2.867	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1cccc(-c2nccn2C)c1	159385365	LBYCUSVZMYFNSX-LBPRGKRZSA-N	287.363	2.841	70	20	CFID	
CCOc1ccccc1NC(=O)N[C@H]1CC[C@H](O)CC1	159997862	BRWPFWCUIALJTP-TXEJJXNPSA-N	278.352	2.510	70	20	CFID	
CC(C)(C)c1nsc(N2CCOC3(CCCC3)C2)n1	159998251	JIVZWIOBGAZIQZ-UHFFFAOYSA-N	281.425	2.985	70	20	CFID	
CC[C@H](C)NC(=O)CCNCc1cc(F)cc(Cl)c1	160905227	NZZFNNYPEBUBCX-JTQLQIEISA-N	286.778	2.874	70	20	CFID	
CC[C@@H](Cc1ccc(Cl)cc1Cl)NCCN	218291195	JKOBLQCUFCOUKO-NSHDSACASA-N	261.196	2.863	70	20	CFID	
CC[C@H](COC)NC[C@@H](CC)Oc1ccccc1F	160334975	WFGJNLSADLUECE-CHWSQXEVSA-N	269.360	2.998	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccco1	161028954	SHHQCDOYHVCWPQ-GFCCVEGCSA-N	263.337	2.891	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCCOC2CCCC2)C1	161173158	PZHMPDSKWNXNHE-QWHCGFSZSA-N	253.386	2.888	70	20	CFID	
Cc1ccc(OCCCC(=O)N2CCC(C)(O)CC2)cc1	161238440	QKSUAHFUDMHNGY-UHFFFAOYSA-N	291.391	2.527	70	20	CFID	
C[C@H]1[C@@H](C)Sc2ccccc2N1CC(=O)N(C)C1CC1	161261270	UXAXFFUUENEMSG-NWDGAFQWSA-N	290.432	2.997	70	20	CFID	
CCCc1cc(C(=O)NCC2(CCOCC)CCC2)[nH]n1	161318492	NRNRVVCANWOIDA-UHFFFAOYSA-N	293.411	2.689	70	20	CFID	
CN(C[C@@H]1CCCC[C@@H]1O)c1nc(C(C)(C)C)ns1	160295330	KUQVQYUISSESHL-QWRGUYRKSA-N	283.441	2.823	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)CC2	160456354	CIIWJYHUSVXHPK-LKFCYVNXSA-N	292.333	2.530	70	20	CFID	
CC(C)(O)CN[C@H]1CCc2ccc(OC(F)(F)F)cc21	160658379	VURTYACCKSGQTB-LBPRGKRZSA-N	289.297	2.933	70	20	CFID	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccnc1	160814578	YFFOFZZJQDTDQQ-JQWIXIFHSA-N	291.376	2.777	70	20	CFID	
O=C(Cc1ccc(O)cc1Cl)N1C[C@@H]2CCC[C@H]2C1	159420064	POJZCCSNOMUQBX-RYUDHWBXSA-N	279.767	2.847	70	20	CFID	
COCCOc1ccccc1N[C@H](C)CCn1cccn1	159431336	PCMGYIWMFOGNRC-CQSZACIVSA-N	289.379	2.799	70	20	CFID	
COc1ccc(N(C)C(=O)C[C@@H]2CCCCO2)cc1F	159665252	LQOGJCWHNDXUMA-LBPRGKRZSA-N	281.327	2.756	70	20	CFID	
C[C@H]1CC[C@@H](NC(=O)NCCn2cccn2)c2ccccc21	159692667	PNCBBULQUPEFBL-XJKSGUPXSA-N	298.390	2.821	70	20	CFID	
Cc1cccc(C(=O)NCCCOCC(C)C)c1F	159710282	GTOLNLJOLOHDTM-UHFFFAOYSA-N	267.344	2.927	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1cccc2ccccc12	159795321	ZSNUBNGUKYQIKW-UHFFFAOYSA-N	299.374	2.830	70	20	CFID	
COc1cc(CNCc2cccc3cc[nH]c23)ccn1	218099624	ZBDGEOYZDAMKBQ-UHFFFAOYSA-N	267.332	2.861	70	20	CFID	
C[C@@H](Cn1cccn1)NCc1cccc2cc[nH]c12	218102583	QZQOMBWDUISCRO-LBPRGKRZSA-N	254.337	2.543	70	20	CFID	
CCCCc1ccc(CC(=O)N(CC)CCCO)cc1	160495630	AITVFCXJQJMSIA-UHFFFAOYSA-N	277.408	2.803	70	20	CFID	
CC1(C)CN(CCCN2CCCCC2)CCS1	161483277	QYLRUQDCTHSGIN-UHFFFAOYSA-N	256.459	2.690	70	20	CFID	
COC[C@H](C)N(C)c1ncc(Cl)cc1Br	159756154	KKPBXSHFSQKTHV-ZETCQYMHSA-N	293.592	2.969	70	20	CFID	
CCc1nc(C)c([C@@H](C)N(C)CCn2ccnc2)s1	159848707	UNQRAAKSMLUGFD-GFCCVEGCSA-N	278.425	2.903	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1CCCCC1	769660625	SISQFVMLJIXSMU-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCNC(=O)C(C)(C)C	161035394	NOGOPEOUEAIOCU-UONOGXRCSA-N	296.455	2.966	70	20	CFID	
COC[C@@H](NC(=O)Nc1cc(C)cc(F)c1)C1CC1	161189958	JIEWFWDHEPLUSA-CYBMUJFWSA-N	266.316	2.681	70	20	CFID	
C[C@@H]1CN(C)CC[C@@H]1NCC1(c2ccc(F)cc2)CC1	161360674	QNTZHAHNBGIYIH-CJNGLKHVSA-N	276.399	2.787	70	20	CFID	
O=C(NC1CC(c2ccccc2)C1)[C@H]1CCn2ccnc2C1	161370879	RKCDGVSANNSMAJ-FHERZECASA-N	295.386	2.508	70	20	CFID	
CS[C@H](C)CC(=O)NCc1nc(-c2cccs2)no1	161463373	JRYPSWRVAQSDAX-MRVPVSSYSA-N	297.405	2.556	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(Cl)n1	160188849	UBMNADBGQFVPAX-LLVKDONJSA-N	294.782	2.957	70	20	CFID	
CCCN(CCN(CC)CC)C(=O)NC1CCCC1	160539876	XYLXWVGRYHEBFK-UHFFFAOYSA-N	269.433	2.692	70	20	CFID	
CCOCCC1(C(=O)N[C@H](C)c2ccccn2)CCC1	160588377	OPYNJCNKGGVHCT-CYBMUJFWSA-N	276.380	2.856	70	20	CFID	
CCN(C(=O)c1cccc(-c2ncn[nH]2)c1)C1CCCC1	160788825	WQPQYDIPKIFNHJ-UHFFFAOYSA-N	284.363	2.876	70	20	CFID	
CCCC1(CNC(=O)Nc2ccc(C)c(C(N)=O)c2)CC1	159722800	VYTSMPHOGAJGKY-UHFFFAOYSA-N	289.379	2.796	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@H](C)C[C@H](C)O)c1C	159783880	OZUCBNUGNXHMSZ-NEPJUHHUSA-N	296.415	2.520	70	20	CFID	
Cc1c(CCC(=O)NC[C@H]2CCCC[C@@H]2C)cnn1C	159983414	NZLLAVSVOFPQOI-GXTWGEPZSA-N	277.412	2.604	70	20	CFID	
CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCOC(C)(C)C2)C1	160530403	HFDOBPONRZMDLP-STQMWFEESA-N	298.427	2.543	70	20	CFID	
Cc1cc(C(=O)NCCCn2ccc3ccccc32)ncn1	161253742	YJTUBYCGGIVSPZ-UHFFFAOYSA-N	294.358	2.560	70	20	CFID	
CN(C)Cc1ccc(C(=O)NC[C@H]2CC=CCC2)cc1	161307769	NIBZOQTXBJNTFV-AWEZNQCLSA-N	272.392	2.834	70	20	CFID	
CNC(=O)c1cccc(NC(=O)c2cccc(C)c2F)c1	161414379	NZYSPWLZBSATTE-UHFFFAOYSA-N	286.306	2.746	70	20	CFID	
CCOc1ccc(OC(=O)C(C)(C)COC)cc1	160468359	DLBDUALTORJZAQ-UHFFFAOYSA-N	252.310	2.663	70	20	CFID	
COc1cccc([C@H](C)C(=O)N(C)Cc2cccn2C)c1	160707612	XGRUAQATZVJDSO-ZDUSSCGKSA-N	286.375	2.796	70	20	CFID	
C[C@H](NCCCCN1CCC[C@@H]1CO)c1cccc(F)c1	160741184	SZSGAMISKVPBHO-WMLDXEAASA-N	294.414	2.713	70	20	CFID	
CC(=O)c1cnc(NC(=O)[C@H]2CCCCCC[C@H]2N)s1	159507954	GUCMLASRIRMCHI-WDEREUQCSA-N	295.408	2.582	70	20	CFID	
COCC(C)(C)C(=O)NCCc1cccc(Cl)c1	159513981	XXWGHXZJBPTELS-UHFFFAOYSA-N	269.772	2.671	70	20	CFID	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NCC2(C3CC3)CC2)C1	159751019	ZOQWXVRNKGTVLZ-ZIAGYGMSSA-N	293.455	2.596	70	20	CFID	
CCCCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159974706	MVSNFIIQHQVLLH-UHFFFAOYSA-N	291.395	2.761	70	20	CFID	
CN(C)[C@H](CNCc1cc(F)cc(F)c1)c1ccco1	159581566	BOBDKNRTQOHCII-CQSZACIVSA-N	280.318	2.950	70	20	CFID	
Cc1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1	217274494	VQVBTBAUFWXNDG-UHFFFAOYSA-N	297.280	2.640	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cccc2c1OCCCO2	217397117	YIOXKFSUCFHYBY-AWEZNQCLSA-N	292.423	2.668	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CC=CCC1	185108976	OUWOUSNZVPKQST-SNVBAGLBSA-N	283.324	2.640	70	20	CFID	
Cc1cccc(C(=O)NCCCOC(C)C)c1F	161397476	SVIKTHBGSZQEIS-UHFFFAOYSA-N	253.317	2.679	70	20	CFID	
CC[C@H]1CCC[C@@H](OCCS(=O)(=O)Cl)C1	112430552	VSBPTTQHAHAKFH-VHSXEESVSA-N	254.779	2.540	70	20	CFID	
CC(C)CNC(=O)C(=O)Nc1ccccc1SC(C)C	161044058	NNWSCPABULLTPR-UHFFFAOYSA-N	294.420	2.898	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)CCc1cccc(Cl)c1	161059488	AHXOQFABDICMHT-AWEZNQCLSA-N	283.799	2.796	70	20	CFID	
CC1(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCC1	161290657	NVWYNZHLAYGKDV-CQSZACIVSA-N	287.407	2.897	70	20	CFID	
Cc1ccccc1CNC(=O)N[C@@H](CCO)C(C)(C)C	161305831	ACCIDMXBBUTXFD-AWEZNQCLSA-N	278.396	2.591	70	20	CFID	
Cc1cc(C)cc([C@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)c1	161481228	BHCFGPDCMYACBS-LSDHHAIUSA-N	297.402	2.940	70	20	CFID	
COc1ccc2sc(C(=O)NCC(C)(C)N)c(C)c2c1	160048246	QEMNZIGKIGXDTA-UHFFFAOYSA-N	292.404	2.685	70	20	CFID	
CCn1nccc1CNC1CCN(c2ccccc2)CC1	160110541	BPGTZDLWFUDTEP-UHFFFAOYSA-N	284.407	2.662	70	20	CFID	
CC(C)C[C@H](C)NC(=O)NCCOc1ncccc1Cl	160393128	QGEHUGYRLNEUDH-NSHDSACASA-N	299.802	2.848	70	20	CFID	
C[C@H](C1CC1)N(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CC1	160452204	GJYGZRAPPKUMLY-WPGHFRTFSA-N	292.423	2.917	70	20	CFID	
Cc1ccccc1C(=O)NC[C@H]1CCCN1CC(C)C	160569420	VLTGQUBMBFFIFZ-OAHLLOKOSA-N	274.408	2.845	70	20	CFID	
C[C@H](C(=O)N(C)Cc1cccn1C)c1cccc(F)c1	160733309	NEUJRERWZHRFHJ-LBPRGKRZSA-N	274.339	2.926	70	20	CFID	
Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)s1	160197390	HHLIIWSJYHEZCO-JTQLQIEISA-N	297.401	2.802	70	20	CFID	
CCSCC[C@H](C)NC(=O)[C@H]1CNc2ccccc21	160219572	NOXRIQOPPACDNJ-AAEUAGOBSA-N	278.421	2.844	70	20	CFID	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(N)=O	160282753	KSWLHZCHFUOMPH-SNVBAGLBSA-N	284.791	2.717	70	20	CFID	
Cn1cc(CNC(=O)C[C@H]2CCCCC2(C)C)cn1	160694965	OMLMDFNKKCEDHM-CYBMUJFWSA-N	263.385	2.643	70	20	CFID	
CCCN(CCC)C(=O)Cn1ccnc1[C@H](C)OCC	161473466	XBGAVTXKVLKCCH-ZDUSSCGKSA-N	281.400	2.629	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)N1CCc2ccc(F)cc2C1	161480661	OXVSWWPPBZTILL-MEDUHNTESA-N	289.350	2.716	70	20	CFID	
CCN(CC)[C@H](C)CNC(=O)c1cnc(C(C)C)s1	161509906	INHJSIXBYLUAFE-LLVKDONJSA-N	283.441	2.727	70	20	CFID	
CN[C@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1	160606419	FFFSEMKIRFJHTM-PWFBRDGFSA-N	299.201	2.827	70	20	CFID	
O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(F)ccc1O	160614275	HSWYAUPIOJIWSC-VNQPRFMTSA-N	283.302	2.599	70	20	CFID	
CC[C@@H](NC(=O)c1ccc(C)n1C)c1c(C)noc1C	160628438	BOFGQMSSDGTOEF-GFCCVEGCSA-N	275.352	2.819	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)Nc1cc(C)ccn1	160744194	KRQALTFDUBGYAA-UHFFFAOYSA-N	278.743	2.592	70	20	CFID	
CCc1cc(C(=O)N[C@@H]2CCCc3sccc32)[nH]n1	159866450	XVZOWJQAIOWLBF-LLVKDONJSA-N	275.377	2.841	70	20	CFID	
CCO[C@@H](C(=O)NCC1(N)CCCCC1)c1ccccc1	159473057	HYFIKXWCXMIAJM-OAHLLOKOSA-N	290.407	2.542	70	20	CFID	
O=C(COc1ccccc1F)NCC1(C2CC2)CC1	159689129	BTJWTKPWGWTUOZ-UHFFFAOYSA-N	263.312	2.511	70	20	CFID	
CCC[C@@H](C(=O)Nc1ccc(C(N)=O)cc1F)C(C)C	159733380	PEAMCSADYHGHNP-LLVKDONJSA-N	280.343	2.935	70	20	CFID	
CSCCCCC(=O)N[C@H](C)CN1CCCCC1	159755864	BKMVGXFXTDCXCW-CYBMUJFWSA-N	272.458	2.510	70	20	CFID	
C[C@H](c1ccco1)N(C)C(=O)c1cccc(-c2ncn[nH]2)c1	159780331	DKKLMBSULCJKHW-LLVKDONJSA-N	296.330	2.898	70	20	CFID	
CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H](CN)C1CC1	159776017	RYTRJPOHVVJBNV-XZDPQHSOSA-N	278.440	2.789	70	20	CFID	
CN(Cc1cc(-c2cccs2)on1)[C@H](CN)C1CC1	160111696	XFWWBXLOLNEUMZ-GFCCVEGCSA-N	277.393	2.572	70	20	CFID	
COCCN(Cc1ccccc1)Cc1ccn(C)c1	160444145	GKOSHJRKUHMDDG-UHFFFAOYSA-N	258.365	2.674	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1c[nH]nc1-c1ccccc1	217372064	FXOQNGGYNUQLBH-CQSZACIVSA-N	286.423	2.897	70	20	CFID	
CCOc1ccc(CNC(=O)N2CCCCC2)cc1	217300829	TUWSTNNZBJXGSE-UHFFFAOYSA-N	262.353	2.781	70	20	CFID	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccnc(Cl)c2F)C1	160736014	OTJOFHFAYNAFDX-RKDXNWHRSA-N	270.735	2.992	70	20	CFID	
CSCC[C@@H](N)C(=O)N[C@H](C)CCC1CCCCC1	160916120	IMIZHPGMFKFWRM-TZMCWYRMSA-N	286.485	2.932	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCC[C@H]2C)c1	161084151	AYWNRSXKCTXNIY-MRVPVSSYSA-N	268.338	2.551	70	20	CFID	
O=C(C[C@@H]1CCCCO1)N1CCc2c(F)cccc2C1	161102710	VNSIBYAJMHJACI-ZDUSSCGKSA-N	277.339	2.670	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccncc1O	161503904	GNQGLOXFTJSEOJ-VHSXEESVSA-N	274.345	2.899	70	20	CFID	
CC(C)CSCCCN[C@H](C(N)=O)c1ccc(F)cc1	160012578	OECSPLWSKIOVQQ-AWEZNQCLSA-N	298.427	2.721	70	20	CFID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCCS1	160175228	UXQYZFNFCARJSS-SKDRFNHKSA-N	297.424	2.590	70	20	CFID	
CS[C@H](C)CNC(=O)NCC1(CC(C)C)CC1	160185637	TUIDVNAAVFYPLG-LLVKDONJSA-N	258.431	2.863	70	20	CFID	
C[C@H](CO)CNC(=O)[C@H](C)Sc1ccccc1Cl	160427558	VDIPIAMJSAJRSS-UWVGGRQHSA-N	287.812	2.565	70	20	CFID	
CSCC[C@H](C)N(C)Cc1cnc2ccccn12	160508097	HDMPGXQJDMWHLS-LBPRGKRZSA-N	263.410	2.908	70	20	CFID	
Cc1ccccc1CN(C)Cc1cc(C(N)=O)cs1	160528195	YGEJSTAKCIUSPL-UHFFFAOYSA-N	274.389	2.787	70	20	CFID	
C[C@@H](NC(=O)c1cnc2c(c1)ncn2C)C1CCCCC1	160597097	XBCODBPCPKSDPW-LLVKDONJSA-N	286.379	2.667	70	20	CFID	
Cc1cccc([C@@H](C)CNC(=O)[C@@H](N)CC(C)C)c1	160738173	KCMHFOKCLFCNNJ-ZFWWWQNUSA-N	262.397	2.588	70	20	CFID	
C[C@H](NC[C@H](C)N1CCc2ccccc2C1)c1cnccn1	159806786	CGSUFVRILURWSX-GJZGRUSLSA-N	296.418	2.574	70	20	CFID	
CC(C)(C)c1nsc(NCCn2cccc2)n1	159849574	HGFPUZVGZPFJFA-UHFFFAOYSA-N	250.371	2.749	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2CCCS2)cc1F	159668807	PLIWEHHDUDPIQI-GFCCVEGCSA-N	269.341	2.693	70	20	CFID	
CCCn1nccc1CNc1cccc(NC(C)=O)c1	159964923	OJGCTNMHZJMQMJ-UHFFFAOYSA-N	272.352	2.864	70	20	CFID	
Cc1ccc(C(=O)CCN2CCC[C@@H]([C@@H](C)O)C2)cc1	160934197	HNVIHCQVDGLBDD-GDBMZVCRSA-N	275.392	2.661	70	20	CFID	
CC[C@H](C)N(C)CCNCc1c[nH]nc1-c1ccccc1	217372129	FXOQNGGYNUQLBH-AWEZNQCLSA-N	286.423	2.897	70	20	CFID	
CC[C@H](CCO)NC(=O)CCc1ccc(C)c(Cl)c1	160069169	QFGIKAWLWMDMLO-CYBMUJFWSA-N	283.799	2.858	70	20	CFID	
CC[C@H](C)[C@@H](O)CNC(=O)c1cc(C)c(F)c(C)c1	160040215	XMEWNJFIGVZQRH-ZANVPECISA-N	267.344	2.579	70	20	CFID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCC12CCC2	864241833	NCSWBZNUGASOGI-UHFFFAOYSA-N	297.351	2.504	70	20	CFID	
COCC[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	161146290	ATMWVINNXLKSHG-YVEFUNNKSA-N	291.391	2.924	70	20	CFID	
CN1CCC(N[C@@H]2CCCOc3ccc(F)cc32)CC1	161444082	KIAIWHLRHOPAOC-OAHLLOKOSA-N	278.371	2.723	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1nc2ccccc2n1C	160128825	RYOTZKFLRWTUQX-BZNIZROVSA-N	271.364	2.626	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1ccc(OCCN(C)C)cc1	160219360	OXFRDQXGYOEBRJ-LBPRGKRZSA-N	296.436	2.707	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C1(c2ccccc2)CCC1	160246667	QVGRKFJWXOUZLJ-ZDUSSCGKSA-N	289.375	2.566	70	20	CFID	
CCCC1(CNC(=O)CCc2c(C)n[nH]c2C)CC1	160504822	HFVRRLSDMNGBJY-UHFFFAOYSA-N	263.385	2.656	70	20	CFID	
CCOC(=O)c1csc(N2C[C@@H]3CCC[C@H]3C2)n1	160578011	IDSUABIKBUZFSJ-UWVGGRQHSA-N	266.366	2.556	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CSc1ccc(C)cc1	160614965	IADRFQHQCBQILF-GFCCVEGCSA-N	295.404	2.545	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1noc2c1CCCC2	159803625	NXOIGNNJBSCVAC-ZYHUDNBSSA-N	262.353	2.862	70	20	CFID	
CCC(CC)(CC)CNC(=O)N1CCC(NC(C)=O)CC1	159816233	QGDNGLBJMPIDBZ-UHFFFAOYSA-N	297.443	2.513	70	20	CFID	
CCCCn1ncc(NC(=O)NC(C)(C)C)c1C	159847988	IEBNMPNDIQJVDA-UHFFFAOYSA-N	252.362	2.912	70	20	CFID	
CCCCCOCC(=O)N[C@H]1CCOC2(CCCC2)C1	159987751	RBIBOUSQKYFHGR-AWEZNQCLSA-N	283.412	2.801	70	20	CFID	
CN(Cc1ccc(F)c(F)c1)C[C@@H]1CCC[C@@H]1O	159539239	YSBVRDIJWNOGIF-FZMZJTMJSA-N	255.308	2.558	70	20	CFID	
C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)NC(C)(C)C	159714278	FZGFBHMPXJGROS-GMXVVIOVSA-N	278.396	2.796	70	20	CFID	
CCCCOCCCNC(=O)c1ccc2c(c1)NCC2	160317571	SCRTYJHBXHEMPI-UHFFFAOYSA-N	276.380	2.591	70	20	CFID	
CC[C@H](C)N(C)CCNc1ncnc2sccc12	217367520	QGXFNIYPCJCZQW-JTQLQIEISA-N	264.398	2.834	70	20	CFID	
Cc1ccc(S[C@@H](C)C(=O)N[C@H](CO)CC(C)C)cc1	161006772	UIVZEWMACLFDPG-KBPBESRZSA-N	295.448	2.999	70	20	CFID	
CC(C)NCCC(=O)NC(C)(C)c1cccc(F)c1	161160993	DRDMHWWSEQQPLQ-UHFFFAOYSA-N	266.360	2.565	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)C[C@H](C)Cc1cccc(F)c1	161357601	RZDWMMNSNAGIDA-CJNGLKHVSA-N	292.398	2.605	70	20	CFID	
O=C(N[C@H]1C=CCCC1)N1CCC(C2CCOCC2)CC1	160270735	RQMQORWTDUOAAA-INIZCTEOSA-N	292.423	2.943	70	20	CFID	
C[C@@H]1CC[C@H](CCC(=O)N(C)c2ccc3c(c2)OCO3)O1	160373628	BHSIBGCARJBAAF-DGCLKSJQSA-N	291.347	2.726	70	20	CFID	
CCOCc1ccc(NC(=O)N[C@H](COC)C2CC2)cc1	160685833	ZJCSYIZTNQHITB-OAHLLOKOSA-N	292.379	2.770	70	20	CFID	
CCOc1ncccc1CNC(=O)c1ccc(C(C)C)nc1	160901170	ZCHDYRZAAIFXOP-UHFFFAOYSA-N	299.374	2.929	70	20	CFID	
CC(C)NCCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C	160904209	XWMDIWXIRZEXJQ-ZBFHGGJFSA-N	274.408	2.779	70	20	CFID	
C[C@@H]1CCC[C@@H](OCC(=O)N(C)Cc2cccn2C)C1	160904938	RUMWSNWJBYJDQM-UKRRQHHQSA-N	278.396	2.579	70	20	CFID	
C[C@@H](CN[C@H](C)c1cnn(C)c1)N1CCc2ccccc2C1	159809237	DWCYNWDWOZWLKH-LSDHHAIUSA-N	298.434	2.518	70	20	CFID	
CC1(NC(=O)NCCOc2cccc(Cl)c2)CCC1	159422386	HRVVHJJILHGTML-UHFFFAOYSA-N	282.771	2.961	70	20	CFID	
Cc1ccc(C[C@H]2CCCN2CCn2ccnc2)cc1	159826562	MQPPJDMRSNXIBQ-QGZVFWFLSA-N	269.392	2.899	70	20	CFID	
Cc1cccc(CCNCc2ccc(-n3cncn3)cc2)c1	159904861	UPDQWKWSKYMERX-UHFFFAOYSA-N	292.386	2.908	70	20	CFID	
CCCCNC(=O)[C@@H](C)Nc1ccn(CCC(C)C)n1	159956558	RXNWKCVEHTWNFE-CYBMUJFWSA-N	280.416	2.646	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)N1CCC(C)CC1	159371035	YWNHVOWDRBHSOC-UHFFFAOYSA-N	290.407	2.780	70	20	CFID	
C[C@H](N)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	159976073	RFGQPQHDPHKXPE-LURJTMIESA-N	296.676	2.567	70	20	CFID	
CN1CCN(C(=O)C2=CCCC2)[C@@H](c2ccccc2)C1	159785534	HNWIYLJZXRJNDY-MRXNPFEDSA-N	270.376	2.612	70	20	CFID	
CC[C@H](C)[C@](C)(O)CNC(=O)Nc1ccnc(C)c1Cl	159990966	SGWXJRYGTUQGLH-LKFCYVNXSA-N	299.802	2.962	70	20	CFID	
CCOc1ccc(-c2cc(S(=O)(=O)Cl)on2)cc1	521401128	UPXAKFQXHGKZKG-UHFFFAOYSA-N	287.724	2.668	70	20	CFID	
COc1ccc([C@H](C)N[C@H]2CCN3CCCC[C@@H]23)cc1	217682534	GQYPIUBPCBWKER-JQFCIGGWSA-N	274.408	2.973	70	20	CFID	
CCCn1nccc1CNc1cccc(CN(C)C)c1	160027999	YVTITIYYCDBUGF-UHFFFAOYSA-N	272.396	2.967	70	20	CFID	
CCN(CCCO)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C	160456665	OPXRJKUPNIFKSC-GFCCVEGCSA-N	299.798	2.647	70	20	CFID	
CC1(C)C[C@@H](Nc2cnc3ccccc3n2)CCO1	160675664	SNZIQRRGZMUNPO-NSHDSACASA-N	257.337	2.999	70	20	CFID	
C[C@H](NC(=O)C[C@@H](C)[C@@H]1CCCNC1)c1cccs1	160729531	JSXKVPDLOFPKIC-FRRDWIJNSA-N	280.437	2.951	70	20	CFID	
CC[C@H]1CCCC[C@H]1OCCCS(=O)(=O)Cl	112155141	IUXZOFOCTGNHEE-WDEREUQCSA-N	268.806	2.931	70	20	CFID	
Cc1ccc(NC(=O)NCCc2ccc(F)cc2)cn1	217533595	NOHHCMJNCUMRFK-UHFFFAOYSA-N	273.311	2.893	70	20	CFID	
Cc1nc(CN(C)Cc2cccc(N(C)C)c2)oc1C	159836154	LIBLGQJBEMQOEJ-UHFFFAOYSA-N	273.380	2.989	70	20	CFID	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CCNCC2)C1	161045790	GVALUMOKBICBFY-BLLLJJGKSA-N	290.382	2.735	70	20	CFID	
Cc1cccc(OCCCC(=O)N2CCC(C)(O)CC2)c1	161277746	RUTPEVALKFHDIN-UHFFFAOYSA-N	291.391	2.527	70	20	CFID	
Cc1nc(CC(C)C)c(C(=O)N[C@H]2CCC[C@@H](N)C2)s1	161411915	FWSKQTUIMURQPB-NEPJUHHUSA-N	295.452	2.650	70	20	CFID	
COCCC1(C(=O)NCCc2csc(C(C)C)n2)CC1	161415556	PCVMMDRMARRJCW-UHFFFAOYSA-N	296.436	2.742	70	20	CFID	
CCC1(C(=O)NS(=O)(=O)c2ccsc2)CCCC1	160071015	TYVBTYCDWLGZDD-UHFFFAOYSA-N	287.406	2.523	70	20	CFID	
O=C(c1[nH]nc2ccccc12)N1CC=C(C(F)(F)F)CC1	160577331	JOPODFJBWITJKO-UHFFFAOYSA-N	295.264	2.898	70	20	CFID	
COc1ccc([C@H](C)N(C)C(=O)[C@H]2CCCCO2)cc1	160744414	NMFXVSNYNGFCTM-SWLSCSKDSA-N	277.364	2.784	70	20	CFID	
CC(C)CC[C@@H](C)NC(=O)NC[C@H](O)c1ccsc1	160866551	OPGCSDDMMHYGLO-YPMHNXCESA-N	284.425	2.905	70	20	CFID	
Cc1ccc(NCC(C)(C)C)cc1NS(C)(=O)=O	159833159	AAXCYENDJSWYPC-UHFFFAOYSA-N	270.398	2.825	70	20	CFID	
CCCCS(=O)(=O)NC[C@@H](C)c1ccc(C)cc1	159702952	RIHQVUFAMCYYIW-CYBMUJFWSA-N	269.410	2.818	70	20	CFID	
C[C@@H](CCO)NC(=O)CCC(C)(C)c1ccccc1	159711255	FOZJPVUKMWROAB-ZDUSSCGKSA-N	263.381	2.632	70	20	CFID	
O=C(NC(c1cccs1)c1cccs1)[C@@H]1CCNC1	159928478	ACILUNGRDXZRLP-SNVBAGLBSA-N	292.429	2.625	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cccnc1OC(C)C	159928673	HTWMSORVICUIQV-SNVBAGLBSA-N	268.382	2.949	70	20	CFID	
CCCCOCC(=O)N(C)c1ccc(OC)c(F)c1	159551262	PMURGVYHPXYBTN-UHFFFAOYSA-N	269.316	2.614	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](CO)CC(C)C)c1C	159961981	WAOISBVLBORZDW-CYBMUJFWSA-N	296.415	2.520	70	20	CFID	
CCSCC[C@@H](C)NC(=O)[C@](C)(N)c1ccccc1	160209666	KEROTBBKYBRURU-IUODEOHRSA-N	280.437	2.508	70	20	CFID	
CCN(CCCO)C(=O)c1csc(-c2cccs2)n1	160526702	BIQSUTSPOPMKFT-UHFFFAOYSA-N	296.417	2.716	70	20	CFID	
CCCCn1ncc(C(=O)N[C@@H](C)c2cccnc2)c1C	161057493	VBDLARSQPUNGJL-LBPRGKRZSA-N	286.379	2.878	70	20	CFID	
C[C@@H]1Sc2ccccc2N(Cc2ncnn2C)[C@H]1C	161247642	KTXADETYHCYFCF-QWRGUYRKSA-N	274.393	2.704	70	20	CFID	
Cc1nc(C2(NCc3cccc(O)c3)CCCC2)no1	161369298	GBCKBPRIOBBABH-UHFFFAOYSA-N	273.336	2.643	70	20	CFID	
Cn1cccc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	161455858	DJJORXQLKBSDFD-CYBMUJFWSA-N	276.380	2.637	70	20	CFID	
CCn1cc([C@H](C)NC2CCN(C3CCCC3)CC2)cn1	160488030	FPVYSLVNHKKHET-AWEZNQCLSA-N	290.455	2.961	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)CCCOc1ccccc1F	160549559	SWRWYWZYBCWTPJ-AWEZNQCLSA-N	297.370	2.508	70	20	CFID	
CCCCCN(CCCCC)Cc1nncn1C	160797518	PHUCQBLMAIHWFJ-UHFFFAOYSA-N	252.406	2.998	70	20	CFID	
C[C@]1(O)CCCN(C(=O)Nc2cccc3[nH]ccc23)C1	160823931	OXNCEIHHSWVYFI-HNNXBMFYSA-N	273.336	2.547	70	20	CFID	
COC(C)(C)C[C@@H](C)NC(=O)c1cncc(OC(C)C)c1	160885907	FUJFCHWBPMXSPH-GFCCVEGCSA-N	294.395	2.802	70	20	CFID	
CNC[C@H](C)C(=O)Nc1ccc(COC2CCCC2)cc1	159602019	VRIQYXDJHTUJTK-ZDUSSCGKSA-N	290.407	2.940	70	20	CFID	
CC1CCC(NC(=O)NCCCC(=O)OC(C)C)CC1	159474636	PZJWPEJSELZJIU-UHFFFAOYSA-N	284.400	2.596	70	20	CFID	
C[C@]1(NC(=O)Nc2ccc(OC(F)F)cc2)CCOC1	159490677	ZDDVEAUCTVRFRT-ZDUSSCGKSA-N	286.278	2.589	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)[nH]n1	159494497	ZSBUITVAFBBEHS-HIFRSBDPSA-N	299.374	2.616	70	20	CFID	
Cc1ncoc1C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O	159539245	VBMBIPZATMAUOH-MJBXVCDLSA-N	292.379	2.529	70	20	CFID	
C[C@@H](CNC(=O)c1cccc2[nH]cnc12)Oc1ccccc1	159540227	ZQHPFVFBJSIZDZ-LBPRGKRZSA-N	295.342	2.760	70	20	CFID	
Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CCO)C(C)C	159769561	SIKGGPMWUSBQAI-ZFWWWQNUSA-N	278.396	2.762	70	20	CFID	
C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCCO1	159997769	LJXSMFODZWVQIL-DOMZBBRYSA-N	259.349	2.923	70	20	CFID	
CCCN(C(=O)c1cccc(S(=O)(=O)F)c1)C(C)C	1338958875	MPTKZDVTEXCDDY-UHFFFAOYSA-N	287.356	2.605	70	20	CFID	
Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1C(N)=O	161025836	UJVSMOOPNQFUJB-ZYHUDNBSSA-N	289.379	2.604	70	20	CFID	
COCCC1(CNC(=O)NCCCSC)CCCC1	161042632	XMWBSVIYBYNTCA-UHFFFAOYSA-N	288.457	2.636	70	20	CFID	
CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CCO	161046862	FSXMDVRPNASUCD-HOCLYGCPSA-N	277.408	2.636	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ccccc1OC	161064364	HHPYMNFOMVETHF-IBGZPJMESA-N	279.361	2.862	70	20	CFID	
CCC1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1	161106069	JXDGGSDWRQTXGO-HNNXBMFYSA-N	293.455	2.740	70	20	CFID	
CCC[C@@H](C(=O)N[C@H]1CCc2ccccc21)N(C)C	161346316	SOAOSLCAZKTZQQ-GJZGRUSLSA-N	260.381	2.520	70	20	CFID	
Cc1cccc([C@H](NC(=O)[C@H]2CCCO2)c2ccccn2)c1	160002358	YVUAXWAWLQUIPE-SJORKVTESA-N	296.370	2.775	70	20	CFID	
CC(C)CSCCCN[C@H](C(N)=O)c1ccccc1	160021845	AOBXXKIOPVITEY-AWEZNQCLSA-N	280.437	2.582	70	20	CFID	
CCn1cc(C(=O)N[C@H]2CCCc3sccc32)cn1	160087479	BWSPMLINFPSLBD-LBPRGKRZSA-N	275.377	2.772	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)N[C@@H](C)CN2CCCCC2)C1	160366376	RDYRHDOSNIIEDN-SOUVJXGZSA-N	266.429	2.803	70	20	CFID	
CCC(N)(CC)CNC(=O)CCCc1ccc(OC)cc1	160414387	GHZQTAOEAQYZBK-UHFFFAOYSA-N	292.423	2.652	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1	160514593	NLEOVNVUEWQTFJ-OAHLLOKOSA-N	260.381	2.537	70	20	CFID	
CC(C)N(C(=O)C[C@@H](C)C1CCNCC1)C1CCC1	160561694	BTFSWYSNSKPUSL-CYBMUJFWSA-N	266.429	2.802	70	20	CFID	
COCCC1(CNC(=O)N[C@H](C)CC(C)C)CC1	160757000	LKGHFNNFTAEFAY-GFCCVEGCSA-N	256.390	2.537	70	20	CFID	
C[C@H]1OCCN(C(=O)NCC(C)(C)c2ccccc2)[C@@H]1C	159879725	OPQYKSSOKOUSMC-ZIAGYGMSSA-N	290.407	2.783	70	20	CFID	
Fc1cccc(CN(CCn2ccnc2)C2CC2)c1	159762573	OJIQIFLQZNBOEO-UHFFFAOYSA-N	259.328	2.687	70	20	CFID	
CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCCCO1	159981696	VIOAQQCWNOVXNR-CYBMUJFWSA-N	282.771	2.914	70	20	CFID	
CN(C(=O)c1csc2ccccc12)[C@@H](CN)C1CC1	159822380	HJBXWJCDLFDPEU-ZDUSSCGKSA-N	274.389	2.711	70	20	CFID	
CCC(CC)NC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160295159	BOFXCMMJTIREAJ-JTQLQIEISA-N	282.359	2.940	70	20	CFID	
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(C)c1Cl	160407458	IRMODYPAWRJWDX-GFCCVEGCSA-N	295.766	2.816	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N[C@H]1CCCSC1	160833038	WVVWHZIEZBUMNN-VIFPVBQESA-N	270.785	2.669	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1ccc(O)c(Cl)c1	160164851	YQAGFIGBBHTUDH-UHFFFAOYSA-N	291.734	2.724	70	20	CFID	
CC(C)c1csc(CNC(=O)Cc2ccccc2O)n1	160578480	POGBBMBRQLSDOU-UHFFFAOYSA-N	290.388	2.831	70	20	CFID	
CC[C@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1	160738869	RRHQBVMUSFUEMP-ZFWWWQNUSA-N	260.381	2.738	70	20	CFID	
CCC(C)(CC)C(=O)NCCc1cccc(C(=O)OC)c1	159414987	UZQAHXNKMZTDFW-UHFFFAOYSA-N	291.391	2.958	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@@H](CCO)C2)c1Cl	159817273	AMHZPXWOJJNKLZ-NSHDSACASA-N	297.786	2.670	70	20	CFID	
CN(CCCOCCc1ccccc1)C[C@H]1CCC[C@@H]1O	159483327	GQKUQWFCAIAMLW-MSOLQXFVSA-N	291.435	2.729	70	20	CFID	
Cc1nn(C)c2sc(C(=O)NCC3(C4CC4)CC3)cc12	159685886	FKGFZWNKESNKJJ-UHFFFAOYSA-N	289.404	2.863	70	20	CFID	
CCCCSCCC(=O)N1CCOC(C)(C)C1	159743951	SYLUCDMZELTHQY-UHFFFAOYSA-N	259.415	2.547	70	20	CFID	
C[C@H]1CCCN(C(=O)N2CCc3ccccc3C2)C1	160296132	JQAIXKTXTWIQKU-ZDUSSCGKSA-N	258.365	2.897	70	20	CFID	
CCCCOCCCN[C@H]1C[C@@H](N)c2ccccc21	160228391	GIGORQREQHMUKR-CVEARBPZSA-N	262.397	2.928	70	20	CFID	
Cc1ccc(C(=O)CCN2CCOC3(CCC3)C2)cc1	161312270	VVVXOUUAZUUCJC-UHFFFAOYSA-N	273.376	2.823	70	20	CFID	
CCNC(=O)C(C)(C)CNc1nc(C(F)(F)F)cs1	161350107	IBHIZODNTAKSJT-UHFFFAOYSA-N	295.330	2.736	70	20	CFID	
CC[C@@H](NC(=O)c1cc(C)ncn1)c1ccc(OC)cc1	161380657	OOZNPEOURVRGMK-CQSZACIVSA-N	285.347	2.675	70	20	CFID	
Cc1ccc(NC(=O)N(C)CCOc2ccccc2)cn1	161413820	OQPBEZUMISZKJF-UHFFFAOYSA-N	285.347	2.933	70	20	CFID	
CC[C@H]1CCCC[C@H]1NC1CCC(NC(C)=O)CC1	161421883	LDEYWDGHBRYSOG-SLTXQBBLSA-N	266.429	2.992	70	20	CFID	
O=C(Cn1nc(C2CC2)nc1C1CC1)Nc1ccccc1	161477021	WMBAVGGSKWGKOS-UHFFFAOYSA-N	282.347	2.672	70	20	CFID	
Cc1cc(C)c2c(c1)CCCN2C(=O)[C@@H]1CCCO1	160006538	MUOJKHATAXZHBB-AWEZNQCLSA-N	259.349	2.762	70	20	CFID	
CC[C@H](N)C(=O)NCC(C)(C)CCCc1ccccc1	160122390	FEHSVFXRZHKOBB-HNNXBMFYSA-N	276.424	2.889	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C1CC1)[C@H](C)C(C)C	160214187	UCADPEYQAYPGON-CYBMUJFWSA-N	298.427	2.937	70	20	CFID	
CC(C)CCC(=O)NC[C@H]1CCCN1CC(C)C	160418876	WNQOZUMKVACZFC-CQSZACIVSA-N	254.418	2.659	70	20	CFID	
CCCN1CCC(NC(=O)C2(CCOCC)CCC2)CC1	160813115	HIXLZOINWQFIDU-UHFFFAOYSA-N	296.455	2.574	70	20	CFID	
Cc1ccccc1NC(=O)NCCCC(=O)OC(C)C	160931565	OQJARVDWEWBIQE-UHFFFAOYSA-N	278.352	2.848	70	20	CFID	
C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccco1	160947872	VWKXPCKAMKADOB-LBPRGKRZSA-N	293.388	2.675	70	20	CFID	
COc1cc([C@H](C)NCC(=O)NC(C)C)ccc1SC	160979103	JTPOUVWETHRDGO-NSHDSACASA-N	296.436	2.592	70	20	CFID	
CC(C)CC[C@H](C)NC(=O)NOCc1cccnc1	160987733	CHDHBSBEPIFERU-LBPRGKRZSA-N	265.357	2.637	70	20	CFID	
Cc1cc(C)c(CN2CCC(CC(N)=O)CC2)cc1C	159714421	CISNPQSKEDCUOD-UHFFFAOYSA-N	274.408	2.699	70	20	CFID	
C[C@H](NC(=O)[C@@H]1CCC[C@@H](N)C1)C1CCCCCC1	160635414	ZQXQEPQJMSSAJD-NWANDNLSSA-N	266.429	2.979	70	20	CFID	
O=C(NCC[C@@H]1CCNC1)c1cc2ccc(F)cc2s1	161203276	XLWIWOZPZPWYGC-JTQLQIEISA-N	292.379	2.770	70	20	CFID	
Cc1ccc(OS(=O)(=O)C[C@@H]2CCCCO2)cc1C	217072720	VAIWCTWTQVTKBG-AWEZNQCLSA-N	284.377	2.581	70	20	CFID	
Cc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1C	1345437813	VYAKUBIVJMFTGA-UHFFFAOYSA-N	296.323	2.542	70	20	CFID	
CCOCCC1(CNC(=O)[C@@H](CC)OCC)CCC1	160543123	RLCKLKVBUVIERA-CYBMUJFWSA-N	271.401	2.515	70	20	CFID	
CCCCN(C)C(=O)CSc1ccnc(C(C)C)n1	160695818	AZISEOYZHJZJHU-UHFFFAOYSA-N	281.425	2.951	70	20	CFID	
O=C(NCc1nccs1)[C@@H]1C[C@H]1c1cccc(F)c1F	160739908	NHFHSYANAVSNOM-VHSXEESVSA-N	294.326	2.841	70	20	CFID	
CC[C@H](NCC(=O)N(CC)CC)c1ccc(F)cc1F	160828756	UTIMPWPIBKNDLW-AWEZNQCLSA-N	284.350	2.874	70	20	CFID	
CC[C@@H](COC)N[C@H](CCCO)c1ccccc1	160883740	MLAJPVOYFWJPJU-LSDHHAIUSA-N	251.370	2.515	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)Nc1ccnc(C)c1Cl	159530872	PZUXZGVNXFLPTK-QMMMGPOBSA-N	299.758	2.507	70	20	CFID	
CC(C)(N)CNC(=O)C(C)(C)Cc1cccc(Cl)c1	159973856	HTLSPIOVPKLCLD-UHFFFAOYSA-N	282.815	2.762	70	20	CFID	
COc1ccc(N[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1F	217950151	KTXBHTYRQIVOPO-COPLHBTASA-N	266.360	2.975	70	20	CFID	
CN(C)c1ccc(CN[C@@H]2CCCc3occc32)cn1	159979459	IIHXWUOKTXUMQX-CQSZACIVSA-N	271.364	2.908	70	20	CFID	
Cc1c(CN[C@H]2CCc3cc(F)ccc32)cnn1C	161216884	ZNSCQACWPFYHFQ-HNNXBMFYSA-N	259.328	2.645	70	20	CFID	
Cc1cc(C)c(CNCc2cnn(C)c2C)c(C)c1	161307500	IPMDPPNKTHQTBV-UHFFFAOYSA-N	257.381	2.944	70	20	CFID	
C[C@H]1CN(C[C@@H](O)c2cc3ccccc3o2)[C@@H](C)CO1	216918490	DALQTOVKWBGTAV-SGMGOOAPSA-N	275.348	2.575	70	20	CFID	
CC(C)COc1cccc(C(=O)N[C@@H]2CCC[C@@H]2CO)c1	217994595	IBVCEUDRMZWRAS-GDBMZVCRSA-N	291.391	2.612	70	20	CFID	
CNC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1Cl	159556909	GTNBIFCBCNOJMP-GFCCVEGCSA-N	287.190	2.704	70	20	CFID	
O=C(NCCCC(F)(F)F)N1CCCCCC1	160728663	OHRJAEUHXQMACG-UHFFFAOYSA-N	252.280	2.915	70	20	CFID	
CN(Cc1ccc(N(C)C)nc1)Cc1ccccc1F	160732248	DBYMDNAGMCBQBJ-UHFFFAOYSA-N	273.355	2.919	70	20	CFID	
CCCCCNC(=O)[C@@H](C)N(CC)Cc1ccccn1	161057649	XTJNADAHXRQYET-CQSZACIVSA-N	277.412	2.598	70	20	CFID	
CCC(CC)NC(=O)[C@H](C)N(CC)Cc1ccccn1	161160824	NXFGJFKZFLMNGI-ZDUSSCGKSA-N	277.412	2.597	70	20	CFID	
O=C(/C=C\c1ccco1)Nc1cccc(S(=O)(=O)F)c1	769662641	PZKKKHVFTXFXIA-SREVYHEPSA-N	295.291	2.590	70	20	CFID	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)c1	1339472761	SREWVARBQBDXQV-UHFFFAOYSA-N	296.323	2.542	70	20	CFID	
CC(C)Oc1ccc(S(=O)(=O)F)cc1Cl	105430704	CMTSYQWVHQDGHI-UHFFFAOYSA-N	252.694	2.785	70	20	CFID	
CCCN(CCO)Cc1cnc(-c2ccc(C)o2)s1	161231822	MKCOMFSJVXCEJY-UHFFFAOYSA-N	280.393	2.916	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccccc1N(C)C)[C@H]1CCCO1	160402231	HWOBZTMVQNZYQO-IUODEOHRSA-N	291.395	2.832	70	20	CFID	
CC[C@@H](NC(=O)[C@@H]1CC[C@H](N)C1)c1cc(F)ccc1F	160657191	LOTDFYVYKMSTRE-OLUVUFQESA-N	282.334	2.660	70	20	CFID	
CCCC1(CNC(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)CC1	160696943	JPPJAHCJPUGPOS-CHWSQXEVSA-N	281.396	2.662	70	20	CFID	
COCCCCC(=O)NCCc1csc(C(C)(C)C)n1	160763817	CLIKAAQVKSXVAX-UHFFFAOYSA-N	298.452	2.916	70	20	CFID	
Cn1c(CNc2ncccn2)nc2cc(Cl)ccc21	160770097	SDVMYEPKYAUGKP-UHFFFAOYSA-N	273.727	2.629	70	20	CFID	
CCCCn1ncc(C(=O)N2CCC[C@H](C)C2)c1C	160925432	GAJOCTJIPPGDGI-LBPRGKRZSA-N	263.385	2.864	70	20	CFID	
Cc1nc(CC(=O)NCC2(C3CC3)CC2)c(C)s1	159714566	HMDQHIPFZXYSDS-UHFFFAOYSA-N	264.394	2.609	70	20	CFID	
CCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F	159430778	RWIKQGSMQWUCNM-GHMZBOCLSA-N	284.350	2.920	70	20	CFID	
C[C@H](NCc1cc(F)cc(F)c1)c1nnc2ccccn12	159649611	YMTDTKFEYHAIBE-JTQLQIEISA-N	288.301	2.858	70	20	CFID	
Cc1ccc(C[C@@H](C)NS(=O)(=O)CCC(C)C)s1	159662159	CTTNABFKNPLUFD-LLVKDONJSA-N	289.466	2.953	70	20	CFID	
CCCCCn1cc(Br)c(OC)cc1=O	159881720	DDMXBTGQDVMBNU-UHFFFAOYSA-N	274.158	2.810	70	20	CFID	
CCc1nc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)n[nH]1	159369946	VIUOPMIENGURBF-AWEZNQCLSA-N	284.407	2.993	70	20	CFID	
O=C(Cc1cccs1)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	159952410	VWEQOXXKAFPIBZ-UXLLHSPISA-N	283.396	2.993	70	20	CFID	
CCCn1nccc1CNCCCN(C)c1ccccc1	159958350	ZVUDDIXUKOEBJC-UHFFFAOYSA-N	286.423	2.909	70	20	CFID	
C[C@@H](CNCc1cccc2cc[nH]c12)CN1CCCC1	218117750	DFZFYTVNBBDOCD-AWEZNQCLSA-N	271.408	2.989	70	20	CFID	
CCOC(=O)Nc1ccc(N[C@@H](CC)C(=O)OC)cc1	159506448	XDAIUTMRVJBKHR-LBPRGKRZSA-N	280.324	2.619	70	20	CFID	
CCCCNC(=O)N[C@H]1CCc2c(OC)cccc21	160279454	JODLHJMOTOTTPG-ZDUSSCGKSA-N	262.353	2.782	70	20	CFID	
CC1(C)C[C@H](Nc2nccc(C(F)(F)F)n2)CCO1	160669925	IPROAOGLNUYWFL-MRVPVSSYSA-N	275.274	2.865	70	20	CFID	
Fc1ccccc1[C@H]1CN(CCOCC2CC2)CCO1	160366998	LKIXVCLHSXEPBO-MRXNPFEDSA-N	279.355	2.626	70	20	CFID	
COC[C@@H]1CCCN(c2nc(C(C)(C)C)ns2)C1	159461675	ZKQJSTXAGKWPIS-SNVBAGLBSA-N	269.414	2.698	70	20	CFID	
CC(C)Cc1noc(CC2CN(C(=O)OC(C)(C)C)C2)n1	161046252	FLWXPGRMXUAGOQ-UHFFFAOYSA-N	295.383	2.678	70	20	CFID	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NC1CC=CC1	161116345	WPNOSBSJEWVAFE-HNNXBMFYSA-N	288.347	2.694	70	20	CFID	
O=C(Nc1cc(F)c(F)c(F)c1)NC1CC=CC1	161210533	GKOPXEGXUZYFPL-UHFFFAOYSA-N	256.227	2.944	70	20	CFID	
CN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	160244310	FIUKUXANKKLNSR-RBSFLKMASA-N	278.440	2.803	70	20	CFID	
CCCN(CC(=O)NC)C(=O)C[C@@H]1CCCCC1(C)C	160295498	JOVOITBMBXEFPX-ZDUSSCGKSA-N	282.428	2.578	70	20	CFID	
COCC(C)(C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1	160456410	HAUOHCXKIAGULF-UHFFFAOYSA-N	290.315	2.679	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)Nc1ccn(CCC(C)C)n1	160993692	IWLDNLLRCHMCAF-CHWSQXEVSA-N	294.399	2.618	70	20	CFID	
CN(CCOc1ccccc1Cl)C[C@@H]1CCC[C@@H]1O	159487407	PPUCRZWAUXTTBM-JSGCOSHPSA-N	283.799	2.812	70	20	CFID	
CCN(CC)CCCNC(=O)NCCC1CCCCC1	217305154	NKVKPTYSRAXYNG-UHFFFAOYSA-N	283.460	2.988	70	20	CFID	
CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	776367695	CDNXEYOCILDWHB-VHSXEESVSA-N	287.356	2.966	70	20	CFID	
CC(C)c1ccc2c(c1)CCCN2CCS(=O)(=O)F	883954523	QCBQNJPFVCSCRD-UHFFFAOYSA-N	285.384	2.862	70	20	CFID	
CCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)F)c1	1121094664	JILPZECAJIIFPH-UHFFFAOYSA-N	287.356	2.511	70	20	CFID	
O=C(c1cccc(S(=O)(=O)F)c1)N1[C@H]2CCC[C@H]1CC2	1338390399	RFFWBCKLDHHMFU-RYUDHWBXSA-N	297.351	2.502	70	20	CFID	
CCOCCCNC(=O)CCc1ccc(Cl)c(OC)c1	161011730	QIWBSQVKVQTTLV-UHFFFAOYSA-N	299.798	2.824	70	20	CFID	
CCCC[C@@H](COC)N[C@H](CCO)c1ccccc1	161046216	JEVNINMDNOVJNF-JKSUJKDBSA-N	265.397	2.905	70	20	CFID	
CCOCCC1(CNC(=O)[C@@H](C)OCC2CC2)CCC1	161069759	SWUVZUNLWGLUSU-CYBMUJFWSA-N	283.412	2.515	70	20	CFID	
Cc1ncc(/C=C/C(=O)N2[C@H](C)CC[C@H]2C)s1	161502115	PLAPGMIQNDHSED-UHHSMLKOSA-N	250.367	2.864	70	20	CFID	
CC(C)C[C@H](C)NC(=O)c1cccc(-c2ncn[nH]2)c1	160003020	KDRAOBJPEODBCS-NSHDSACASA-N	272.352	2.636	70	20	CFID	
CCn1cc([C@@H](C)NC[C@@](C)(O)c2ccsc2)cn1	160024914	ZYDONWLHXUXNNI-BXUZGUMPSA-N	279.409	2.523	70	20	CFID	
C[C@@H](NCCN1CCC(N(C)C)CC1)c1ccc(F)cc1	160259888	POPQRRCNAOBLQU-CQSZACIVSA-N	293.430	2.502	70	20	CFID	
CC(C)(F)C(=O)N1CCC[C@@H](Nc2ccccc2)C1	160306893	MYFWOQCXONLWEE-CYBMUJFWSA-N	264.344	2.838	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc3c(c1)CCC3)CC2	160383006	YKLMBOJYXHFYOI-YVEFUNNKSA-N	296.418	2.741	70	20	CFID	
C[C@H](N(C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1(C)CC1	160620294	CRCNZPKUWDNPOR-YUTCNCBUSA-N	280.412	2.774	70	20	CFID	
C[C@@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccc(F)cc1	160656480	DZIQUAZSSKBIBR-VBNZEHGJSA-N	290.382	2.672	70	20	CFID	
CC(C)Oc1ccccc1CC(=O)N[C@@H](CCO)C(C)C	160737848	HKFJVMRGEBGJSW-HNNXBMFYSA-N	293.407	2.540	70	20	CFID	
CS[C@H](CO)[C@H](C)NC(=O)N[C@H](C)CCCC(C)C	160856326	DMDHMMZWOLMUQX-FRRDWIJNSA-N	290.473	2.613	70	20	CFID	
CC(C)CCO[C@@H]1CCN(C(=O)CCCn2cccc2)C1	159830197	DHQSVOHOLQOHTN-MRXNPFEDSA-N	292.423	2.932	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)C[C@@H]1CCCCO1	159493207	PMEXYMMTLJSAQF-INIZCTEOSA-N	291.391	2.621	70	20	CFID	
CCCCOCCCNC(=O)c1cc(N)ccc1C	160150821	YESPQIUIRCJLEK-UHFFFAOYSA-N	264.369	2.514	70	20	CFID	
CC(C)CC1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CCCC1	160626016	KZPAFGVPJOYKKL-GASCZTMLSA-N	278.440	2.946	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@H]1CCCC[C@@H]1C	160756298	WCHGHBCJHXZRRT-KBPBESRZSA-N	275.458	2.710	70	20	CFID	
CC(C)S(=O)(=O)CCCN(C)[C@H](C)c1cccs1	160879733	ZCLOLEBAKBGSBQ-GFCCVEGCSA-N	289.466	2.954	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc(F)cc1	460093926	QDZKHFLGRKUQJN-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
C=CCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	865209114	HSSWLVHLODQSOI-NSHDSACASA-N	299.367	2.819	70	20	CFID	
C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1121186324	MJFYTTJUQXMMJP-GFCCVEGCSA-N	297.351	2.526	70	20	CFID	
CC(C)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1	161133119	DGHSCGCWALJATG-RISCZKNCSA-N	298.814	2.597	70	20	CFID	
C[C@H]1Sc2ccccc2N(Cc2nncn2C)[C@@H]1C	161157195	JBODBEJWRDUMDA-GHMZBOCLSA-N	274.393	2.704	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCCCC2	161179373	YXSFAJOTXUTJJU-MGPQQGTHSA-N	296.455	2.604	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(N)=O)s1	161267166	RUVPOYNMJJTNDD-WDEREUQCSA-N	294.420	2.888	70	20	CFID	
COCc1cccc(CNC(=O)N2CCC3(CCC3)C2)c1	160202454	PCGGSBLOQKMDKY-UHFFFAOYSA-N	288.391	2.919	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCCC2CC2)n1	160417079	RFGAQHQFRGMGHT-UHFFFAOYSA-N	264.373	2.851	70	20	CFID	
C[C@H](NC[C@@H](C1CCCCC1)N(C)C)C1CCOCC1	160424936	CYQPIGQAAMNVPD-YOEHRIQHSA-N	282.472	2.902	70	20	CFID	
COC(=O)c1ccc(F)c(NC(=O)N[C@@H](C)C2CCC2)c1	160919696	PYTXTUPXFVKYMU-VIFPVBQESA-N	294.326	2.922	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)N1CCCCC1	159420614	LHMWBEGCOJQWSK-UHFFFAOYSA-N	276.380	2.534	70	20	CFID	
COc1ccc2nc(C)cc(C(=O)NCC3CC3)c2c1	159644209	LQTIFYIVEKCOOQ-UHFFFAOYSA-N	270.332	2.692	70	20	CFID	
C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2)c2ccccc21	159472819	NXQQWYKRSXMZQD-YGRLFVJLSA-N	255.321	2.778	70	20	CFID	
CCOCCN(CC)C(=O)/C=C/c1ccc(CC)o1	159876002	NMUBOLBNMHYUJD-MDZDMXLPSA-N	265.353	2.740	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)C(C)C	159596506	QJDQYFWSHDUCDD-KGLIPLIRSA-N	269.433	2.547	70	20	CFID	
CCCCOCCCN[C@H]1C[C@H](N)c2ccccc21	160228114	GIGORQREQHMUKR-HOTGVXAUSA-N	262.397	2.928	70	20	CFID	
CCN(Cc1cnn(C)c1)Cc1ncc(C(C)(C)C)o1	161122175	XIGUZWBLJPQKHG-UHFFFAOYSA-N	276.384	2.728	70	20	CFID	
C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1C	864239663	OAPGEOLWIMJYDK-GHMZBOCLSA-N	299.367	2.605	70	20	CFID	
Cc1ccc(Cl)c2c1N(CCS(=O)(=O)F)CCC2	883954423	MUDVWZBUQBATAC-UHFFFAOYSA-N	291.775	2.700	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2ccccc2OC2CCC2)C1	161012880	GBKYYHARQYGWKC-OLZOCXBDSA-N	288.391	2.618	70	20	CFID	
O=C(NCC1(c2ccccc2)CC1)NOCc1cccnc1	161037185	VWQTZXKFBMPNOL-UHFFFAOYSA-N	297.358	2.544	70	20	CFID	
CCCCC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161367636	GABYMRXNALHKAL-LBPRGKRZSA-N	284.400	2.692	70	20	CFID	
CC(C)CC[C@H](NC(=O)[C@@H]1CCCNC1)C(C)(C)C	160072435	QPLYHBOLTODAFA-KGLIPLIRSA-N	268.445	2.953	70	20	CFID	
CS[C@@H](C)CNC(=O)Nc1ccccc1-n1cccn1	160160734	QXOJCOLEEHZMQN-NSHDSACASA-N	290.392	2.745	70	20	CFID	
C[C@H](CO)CNC(=O)[C@@H](C)Sc1ccccc1Cl	160427301	VDIPIAMJSAJRSS-VHSXEESVSA-N	287.812	2.565	70	20	CFID	
CCOCCNC(=O)CCc1c[nH]c2c(C)cccc12	160907067	OMIWETQACCBWCX-UHFFFAOYSA-N	274.364	2.562	70	20	CFID	
C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCO1	159451526	SBXQGUDGTRKSBA-HIFRSBDPSA-N	261.365	2.693	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)cc1	159669092	LMOBTPDCGFHSRO-KBMXLJTQSA-N	290.407	2.858	70	20	CFID	
C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1	159386608	IJHOBHKXTZMPJI-ZFWWWQNUSA-N	287.407	2.523	70	20	CFID	
COc1cccc(C(=O)NCC2(C3CC3)CC2)c1OC	159776686	IQWSLAZLWIVLLU-UHFFFAOYSA-N	275.348	2.624	70	20	CFID	
CCCC1(CNC(=O)NCCCn2cccn2)CCC1	159986747	TWQVRGSCWWICPM-UHFFFAOYSA-N	278.400	2.543	70	20	CFID	
COC(=O)c1ccc(NC[C@H]2CCC[C@@H](C)C2)nn1	217931326	KLGYRWBAONYUBP-MNOVXSKESA-N	263.341	2.501	70	20	CFID	
C[C@H](C[C@@H]1CCCCCN1)NCC1(N(C)C)CCCC1	160688128	VNGHBVVHLOBLPP-CVEARBPZSA-N	281.488	2.761	70	20	CFID	
C[C@@H]1CC[C@H](OCCCS(=O)(=O)Cl)C[C@H]1C	251646787	FKDFUPJFZSKARJ-MXWKQRLJSA-N	268.806	2.786	70	20	CFID	
CCC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)F)cc1	865206679	QNFFEQRWFGBRCZ-NSHDSACASA-N	287.356	2.653	70	20	CFID	
CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	59113141	HLKRGNQEALOBAO-UHFFFAOYSA-N	289.784	2.989	70	20	CFID	in-vitro
CCN(Cc1ccccn1)[C@@H](C)C(=O)N(C)c1ccccc1	161120475	AXRZBTSMNJGZKD-HNNXBMFYSA-N	297.402	2.955	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1	161224696	UDBIJYLRTMLBJJ-KBPBESRZSA-N	252.402	2.733	70	20	CFID	
CN(CCCN1CCCCC1)[C@@H]1CCCc2c1cnn2C	161448076	KUSFHIPDUSDHDV-MRXNPFEDSA-N	290.455	2.605	70	20	CFID	
COC1(C(=O)N(C)c2ccc(C(C)C)cc2)CCNCC1	161460444	ZWXZIPINTCEBQS-UHFFFAOYSA-N	290.407	2.541	70	20	CFID	
Cc1cnc(NC[C@@](C)(O)c2ccccc2Cl)nc1	160165562	WVNHFWXPCBJDBS-CQSZACIVSA-N	277.755	2.758	70	20	CFID	
Cc1cc([C@@H](C)NC(=O)N2CCC[C@](C)(O)C2)c(C)s1	160331791	QBPDCSPZMGDCON-ABAIWWIYSA-N	296.436	2.982	70	20	CFID	
C[C@H](C(=O)NCc1ccco1)c1c(F)cccc1F	160435142	IPTVAHBGHXFMIO-VIFPVBQESA-N	265.259	2.978	70	20	CFID	
CCCc1nnc(NC(=O)C[C@@H](C)SC)s1	160755481	IYQGZEWTDPDXTG-SSDOTTSWSA-N	259.400	2.571	70	20	CFID	
Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1cccnc1)CO2	160779534	FXCWGPLXLFULGO-WFASDCNBSA-N	297.358	2.884	70	20	CFID	
CCN(C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CCCC1	160820158	MKZCKFUUCLKPAA-AWEZNQCLSA-N	293.455	2.977	70	20	CFID	
CC(C)c1cc(-c2nc(C3CCOCC3)no2)no1	160870384	BQKNPMHIFGZXMW-UHFFFAOYSA-N	263.297	2.742	70	20	CFID	
O=C(C[C@H]1C=CCC1)N[C@@H]1CCOC2(CCCC2)C1	159422056	YHCYQRYCUSOWPM-UONOGXRCSA-N	263.381	2.951	70	20	CFID	
Cc1cc(C)cc([C@H](C)NCCCN2CCCC2=O)c1	159464769	JCVFKVFXJFHTNC-HNNXBMFYSA-N	274.408	2.967	70	20	CFID	
Cc1noc(C)c1[C@@H](C)NC(=O)c1cccc2[nH]cnc12	159542841	RNUHUAVQPSZOQU-MRVPVSSYSA-N	284.319	2.659	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnn(C(C)(C)C)c1	159596227	CDSSGUZSUJPDJW-YPMHNXCESA-N	263.385	2.947	70	20	CFID	
CCOC(=O)CN(C(=O)c1cccc(C)c1Cl)C1CC1	160406122	ZNDHSYUFVAOYMM-UHFFFAOYSA-N	295.766	2.816	70	20	CFID	
CC(C)C(=O)NCCCN[C@H](C)c1cccc(F)c1	159979420	XXEVAOYAQXELIZ-GFCCVEGCSA-N	266.360	2.639	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2ccccc2Cl)ncn1	161220959	TWFUGWUJSZHSSE-UHFFFAOYSA-N	275.739	2.711	70	20	CFID	
COCCC1(CNC(=O)N(C)[C@H](C)CCSC)CC1	161098639	IWZGPGOEMDWPLB-GFCCVEGCSA-N	288.457	2.586	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCC(=O)OC(C)C	160078679	MIRZQPFQDVLFCI-RYUDHWBXSA-N	295.404	2.618	70	20	CFID	
CCCOc1ccc(OCCN(C)[C@@H](CN)C2CC2)cc1	160080454	RFIFUWIYYUQKIP-KRWDZBQOSA-N	292.423	2.523	70	20	CFID	
CC1(C(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1	160222380	WWGHHCFASQQESF-UHFFFAOYSA-N	257.333	2.808	70	20	CFID	
CCO[C@@H](C)C(=O)N(C)c1ccc(OC)c(Cl)c1	160234125	UAUKAJPHYLLRTN-VIFPVBQESA-N	271.744	2.736	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccnc(F)c1	160322906	BBNPATZOYUOWKI-CYBMUJFWSA-N	292.354	2.832	70	20	CFID	
COCCCC(=O)O[C@H](c1ccccn1)C(F)(F)F	160341818	GAVPJVDLILHBLV-LLVKDONJSA-N	277.242	2.655	70	20	CFID	
CCSCCN(CC)Cc1ccc(C(=O)N(C)C)cc1	160468463	UCFDBCKFVHTORR-UHFFFAOYSA-N	294.464	2.963	70	20	CFID	
CCn1ccnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1=O	160575376	ZSCNDRTYSXPDQS-HUUCEWRRSA-N	299.374	2.595	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N[C@@H](C)C2CC2)n1	160655432	WUSHTRRYJDJPAW-NSHDSACASA-N	264.373	2.849	70	20	CFID	
C[C@@H](C(=O)NCCc1cscn1)c1ccsc1	159478355	VWDGMSLDUDIIRI-SECBINFHSA-N	266.391	2.667	70	20	CFID	
CCCCOc1ccc(C(=O)N(C)[C@@H](CN)C2CC2)cc1	159894692	LNCDTWOTZKIMON-INIZCTEOSA-N	290.407	2.675	70	20	CFID	
CC(C)(C)OC(=O)NCCNCc1cc(F)cc(F)c1	218088627	WUQJFOMPPJGATQ-UHFFFAOYSA-N	286.322	2.579	70	20	CFID	
COc1cc(Cl)ccc1C(=O)NCC1(CO)CCCC1	160277868	XKWPDRJCNYIKNA-UHFFFAOYSA-N	297.782	2.631	70	20	CFID	
CCOC(=O)CCCN1CCC[C@H]1c1cccc(C)n1	159842851	SRJPWMWQYZRYGX-HNNXBMFYSA-N	276.380	2.870	70	20	CFID	
C[C@@H]1CN(C(=O)c2ccc(N)cc2)[C@H](c2ccccc2)CO1	161086731	TVNNRTGMVXVUTB-DYVFJYSZSA-N	296.370	2.871	70	20	CFID	
CNC(=O)C(C)(C)CNc1cc(C)nc2ccc(F)cc12	161088030	AHSHEDRRCZKABQ-UHFFFAOYSA-N	289.354	2.866	70	20	CFID	
CN(C)CC[C@@H](NC(=O)NC1(C)CCC1)C(C)(C)C	161321559	BTWUJAYRLPYFIE-GFCCVEGCSA-N	269.433	2.595	70	20	CFID	
CC(C)(C(=O)NCCC(=O)N1CCCCC1)C1CCCC1	160115103	JSYXXTWEWLFDCR-UHFFFAOYSA-N	294.439	2.722	70	20	CFID	
CC(C)NCCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1	160386732	JKEMHKGMZBWCQI-HNNXBMFYSA-N	292.398	2.605	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)[C@H]3CC=CCC3)[nH]2)o1	160399270	OKGOUYOEVBFTJW-JTQLQIEISA-N	272.308	2.668	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@@H](C)COc1cccc(C)c1	160573149	ICOJVRLEFXHBLU-KBPBESRZSA-N	279.380	2.694	70	20	CFID	
CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@H](NC)C1	160583920	NWQSOVONLPQHMJ-GJZGRUSLSA-N	266.429	2.803	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)[C@@H](C)CCc1cccc(F)c1	160721558	MUBMMTRJPUZBKQ-XJKSGUPXSA-N	295.398	2.918	70	20	CFID	
CC(C)NC(=O)CN[C@@H]1CCSc2c(Cl)cccc21	160991865	YKPWXBYWKLAUJO-GFCCVEGCSA-N	298.839	2.991	70	20	CFID	
CCO[C@@H]1C[C@@H](N[C@@H]2CCOC(C)(C)C2)C12CCC2	159948039	OVSXZWSOEKNDTA-MGPQQGTHSA-N	267.413	2.881	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)c1ccc2c(c1)CCCC2	160571641	GRZGCFQEOAUSHZ-INIZCTEOSA-N	275.392	2.702	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1ccc(-n2ccnc2)cc1	217374104	FUBFZYGBADIELY-OAHLLOKOSA-N	286.423	2.692	70	20	CFID	
CCCCn1ncc(NC(=O)NCCCOCC)c1C	159910334	APFDJQVBSMOMGU-UHFFFAOYSA-N	282.388	2.540	70	20	CFID	
CCCC(CCC)S(=O)(=O)CCCCCO	161209755	CDLGEKUXJSLKTL-UHFFFAOYSA-N	250.404	2.533	70	20	CFID	
CCN(CC)[C@@H](CNC(=O)C[C@H](C)SC)c1ccco1	161387879	QAZGGRDPMLKXGH-STQMWFEESA-N	298.452	2.920	70	20	CFID	
C[C@H](CC(=O)N1[C@H](C)CC[C@H]1C)NC(=O)C1CCCCC1	161487846	CCUHAAGEMIXEMK-MGPQQGTHSA-N	294.439	2.861	70	20	CFID	
Cc1nccn1CCCN(C)c1nc(C(C)(C)C)ns1	160046013	UIOUBEACCZPMFE-UHFFFAOYSA-N	293.440	2.867	70	20	CFID	
Cn1cc(CCC(=O)N[C@@H]2CCCc3sccc32)cn1	160114184	LGYKEMKCOZHQEK-CYBMUJFWSA-N	289.404	2.608	70	20	CFID	
Cc1noc(C)c1CCSCCOC[C@H]1CCCO1	160147102	ZVGARMUDFIFAGQ-CYBMUJFWSA-N	285.409	2.763	70	20	CFID	
CCC(CC)N(CCOC)C(=O)C[C@H](C)SC	160162939	JMXRIZAFXFWFKK-NSHDSACASA-N	261.431	2.792	70	20	CFID	
Cc1cc(C(=O)Nc2cccc(COC(C)C)c2)ncn1	160189815	ZFSYUWJDVKFLJX-UHFFFAOYSA-N	285.347	2.962	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)Nc2cccc3c2C(=O)NC3)C1	159626935	APLGECYUIHDANQ-GHMZBOCLSA-N	272.348	2.695	70	20	CFID	
Cc1cnc(CN2CCO[C@@]3(CCc4ccccc43)C2)o1	159630375	HUOLGJOOZXOCSJ-KRWDZBQOSA-N	284.359	2.657	70	20	CFID	
CC(=O)N1CCC(CN[C@H](C)c2ccccc2C)CC1	159458471	IVPFFEXGOSIBHK-CQSZACIVSA-N	274.408	2.904	70	20	CFID	
C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C)C1)c1cccnc1	159903070	ZVWQIICQTZDNSF-UPJWGTAASA-N	261.369	2.830	70	20	CFID	
CC(C)CCn1ccc(N[C@H](C)C(=O)N(C)C(C)C)n1	159928853	FJNFKKXETQXCQJ-CYBMUJFWSA-N	280.416	2.596	70	20	CFID	
O=C(NC1(CO)CCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	218178366	RCWWIVXPZKBAET-MGPQQGTHSA-N	265.397	2.624	70	20	CFID	
Nc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCCS1	159362942	FTGWLTZZHQWTKP-ZIAGYGMSSA-N	276.405	2.658	70	20	CFID	
CC(C)Oc1cccc(CN(C)[C@H](CN)C2CC2)c1	159697509	VANVWQONBJQARC-MRXNPFEDSA-N	262.397	2.643	70	20	CFID	
CCCn1nccc1CNc1cccc(CCCO)c1	160199862	HWQLIDDLCJFFBX-UHFFFAOYSA-N	273.380	2.830	70	20	CFID	
CCc1cc(O)nc(CN(CCC(C)C)C2CC2)n1	160757495	GHCBQLZKYATYQM-UHFFFAOYSA-N	263.385	2.755	70	20	CFID	
C[C@@H](NCc1cccc2cc[nH]c12)C(=O)N1CCCCC1	218126159	WEPINXUKEJCBQI-CYBMUJFWSA-N	285.391	2.659	70	20	CFID	
C[C@H](N[C@@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)OCO2	217685430	WZKSRLHCMITLKN-CFVMTHIKSA-N	288.391	2.693	70	20	CFID	
C=CCN(C(=O)c1ccc(S(=O)(=O)F)cc1C)C(C)C	1337995442	VXPIKYRTLIVYGH-UHFFFAOYSA-N	299.367	2.690	70	20	CFID	
C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1337868981	TWDGLAHNRPWQBK-UHFFFAOYSA-N	299.367	2.691	70	20	CFID	
CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1516700797	BDHNEIFXIWFBLZ-CMPLNLGQSA-N	299.367	2.748	70	20	CFID	
C[C@@H](CN[C@@H]1CCCc2cccnc21)N(C)C1CC1	217596107	RZYUUSKRARDKOV-SWLSCSKDSA-N	259.397	2.531	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(-n3cccn3)cc2)CC1	161176077	DADFZNAGJDMBFP-UHFFFAOYSA-N	298.390	2.732	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)N1CCCCCC1	161199029	ZPFMGDBCILRRAQ-HNNXBMFYSA-N	289.423	2.695	70	20	CFID	
CCONC(=O)N1CCC(Oc2ccccc2Cl)CC1	161203944	BDNBHIZBXLHLNP-UHFFFAOYSA-N	298.770	2.844	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(C)cc1OC	161256932	AQMJQLYACBXPDL-UHFFFAOYSA-N	294.395	2.924	70	20	CFID	
CC[C@@H](NCCN1CCC(N(C)C)CC1)c1ccccc1	160181082	MRHDDVRWCHLRPX-GOSISDBHSA-N	289.467	2.753	70	20	CFID	
CC[C@@H](NC(=O)CCCCOC)c1c(C)noc1C	160459833	MKMZLOZEZPTKDR-GFCCVEGCSA-N	268.357	2.675	70	20	CFID	
CC1=C(C(=O)N[C@H]2[C@H]3CCc4ccccc4[C@@H]32)CCCO1	160724484	NAZNXVJPTDPEHP-ULQDDVLXSA-N	283.371	2.915	70	20	CFID	
CC[C@@H](NS(=O)(=O)CC(C)C)c1ccc(F)cc1F	159614009	KYFHXIWBDROPTA-CYBMUJFWSA-N	291.363	2.991	70	20	CFID	
CCCC[C@@H](COC)Nc1ccc(C(=O)OC)c(C)n1	159882727	PLGURZKPFIDYLJ-LBPRGKRZSA-N	280.368	2.794	70	20	CFID	
COc1ccc(N(C)C(=O)c2cc(C)on2)cc1Cl	159939555	LKPBFKHDTLIZET-UHFFFAOYSA-N	280.711	2.922	70	20	CFID	
C[C@@H]1CN(C(=O)[C@@H]2CCCO2)c2cc(Cl)ccc2O1	159598322	SJLYYCICJBBRFA-RNCFNFMXSA-N	281.739	2.633	70	20	CFID	
CO[C@@]1(CNCC[C@H](C)c2ccccc2)CCOC1	160079392	DXNOXQKWOSYIBC-GOEBONIOSA-N	263.381	2.575	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1ccc(-n2cccn2)cc1	217388176	YDHLGMKRIRYGAO-OAHLLOKOSA-N	286.423	2.692	70	20	CFID	
O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCOCC1	159666712	JTZWFKODYUYEGK-UHFFFAOYSA-N	293.672	2.831	70	20	CFID	
CCc1occc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460090864	IUZPKRWBOQGZSD-UHFFFAOYSA-N	297.307	2.753	70	20	CFID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1[C@H]2CCC[C@H]1CC2	864242325	BQBDJVZWIUBHJQ-RYUDHWBXSA-N	297.351	2.502	70	20	CFID	
CC[C@@H](c1ccc(OC)c(OC)c1)S(=O)(=O)Cl	309801708	SEHPIJVQJYIPME-NSHDSACASA-N	278.757	2.724	70	20	CFID	
COc1ccc([C@H](C)CC(=O)N[C@H]2CCC[C@H](N)C2)cc1	161023182	FNSIVWUVDSIBCG-SNPRPXQTSA-N	290.407	2.575	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCOC[C@@H]1CCCO1	161056749	YVCDAADHSYPKOD-OWCLPIDISA-N	297.439	2.999	70	20	CFID	
COc1ccc2c(c1)CN(C(=O)C[C@@H](C)SC)CC2	161072823	RZVVVHRPBSMQSU-LLVKDONJSA-N	279.405	2.722	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H](C)CSC)o1	160206085	JBOOUFXCWJJDFM-JARNTUPDSA-N	253.367	2.723	70	20	CFID	
CN(CC(=O)OC(C)(C)C)c1nc(C(C)(C)C)ns1	160277247	QZAXGULTPKVTGW-UHFFFAOYSA-N	285.413	2.614	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2	160308440	RGFDIBVFIHAVOR-SFCYXTAJSA-N	293.407	2.661	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@@H]1CCc2ccccc21	160314359	MWDGUDZTURMCGA-CQSZACIVSA-N	269.348	2.881	70	20	CFID	
O=C(Nc1ccncc1)c1csc([C@@H]2CCCO2)n1	160347681	CVKULOJSHDLQHG-NSHDSACASA-N	275.333	2.642	70	20	CFID	
CCOC[C@@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1	160404475	QNWYBGQPKPNDRE-GFCCVEGCSA-N	297.345	2.782	70	20	CFID	
CCCSCC(=O)N(C)c1ccc2c(c1)OCO2	160435268	ROPNVJUJQCBJAG-UHFFFAOYSA-N	267.350	2.521	70	20	CFID	
CO[C@@H](CNC(=O)C[C@@H](C)c1ccncc1)C(C)(C)C	160952075	GNSHTPHOZZNKCL-OCCSQVGLSA-N	278.396	2.753	70	20	CFID	
CCC[C@@H](C(=O)Nc1nc2ccc(F)cn2n1)C(C)C	159801416	ZKLQBKGGALEBCA-LLVKDONJSA-N	278.331	2.879	70	20	CFID	
CCC[C@H]1CN(C(=O)N[C@@H]2CCc3ccccc32)CCO1	159418334	ZLMZONWSRYIVLA-GOEBONIOSA-N	288.391	2.884	70	20	CFID	
C[C@H](NCc1nnc2n1CCCCC2)c1ccccc1	159633307	KCGJJHOOFMRJGW-ZDUSSCGKSA-N	270.380	2.855	70	20	CFID	
CCC[C@H](O)CNC(=O)[C@@H](C)Cc1ccccc1Cl	159391669	DZYOBRGFPIRQOS-AAEUAGOBSA-N	283.799	2.796	70	20	CFID	
NC(=O)c1cccc(CN2CC[C@@H]3CCCC[C@@H]32)c1	159689930	DBCMACJLLWFGOI-ZFWWWQNUSA-N	258.365	2.550	70	20	CFID	
O=C(c1cc2ccc(F)cc2s1)N1CCC(CO)CC1	161190726	PCEMWBZUHRRRJO-UHFFFAOYSA-N	293.363	2.885	70	20	CFID	
CC(C)(C)OC(=O)CSCc1nnsc1Cl	160983675	BQRZHKUABCZNJI-UHFFFAOYSA-N	280.802	2.766	70	20	CFID	
C[C@H](N(C)C(=O)c1ccc(S(=O)(=O)F)cc1)C1(C)CC1	864242821	RYYABIOXPIHDAO-JTQLQIEISA-N	299.367	2.605	70	20	CFID	
CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1516700817	BDHNEIFXIWFBLZ-ZYHUDNBSSA-N	299.367	2.748	70	20	CFID	
CCOc1cccc(CNCCN(C)[C@@H](C)CC)c1	217389025	MZEKFWKNHPHOKX-AWEZNQCLSA-N	264.413	2.905	70	20	CFID	
O=C(Nc1ccc(C(F)(F)F)nc1)NC1CCC1	161045647	BUQJOJNYTPTPKE-UHFFFAOYSA-N	259.231	2.774	70	20	CFID	
CSC[C@H](CCO)N[C@H](CC(C)C)c1ccccn1	160174488	FNIWMZPUYDTAGX-DZGCQCFKSA-N	282.453	2.872	70	20	CFID	
C1CCN(C[C@@H]2CCCN2c2nc(C3CC3)ns2)CC1	160429824	FODQFMYNSXIKAC-ZDUSSCGKSA-N	292.452	2.870	70	20	CFID	
O[C@@H]1CCCC[C@H]1CNC1CCN(C2CCCCC2)CC1	160452267	ZEOKALWADUDHBO-MAUKXSAKSA-N	294.483	2.924	70	20	CFID	
CCOCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160494203	YVGVRZRTAOAPOZ-NSHDSACASA-N	277.242	2.655	70	20	CFID	
COc1ccccc1OC[C@H](C)CNC(=O)NC(C)(C)C	160575508	FUJUPWUGDWQYLU-GFCCVEGCSA-N	294.395	2.808	70	20	CFID	
CCCCOCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160679332	WZNXFXFEXGGIAH-CQSZACIVSA-N	283.412	2.801	70	20	CFID	
CN(CCC1CC1)C(=O)NC[C@@H](c1cccs1)N(C)C	160906592	BSDAQLQUOOLCDW-ZDUSSCGKSA-N	295.452	2.792	70	20	CFID	
COCc1noc([C@H]2C[C@H]2c2sccc2C)n1	160968289	WTCKXCBAVBPODN-BDAKNGLRSA-N	250.323	2.857	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CCCC(=O)N(CC)CC	159806578	KGBOOYIYPQIEMA-ZIAGYGMSSA-N	282.428	2.720	70	20	CFID	
Cc1cc(NC(=O)c2csc3c2CCCC3)c[nH]c1=O	159613788	KDWKYVFVYQPOML-UHFFFAOYSA-N	288.372	2.876	70	20	CFID	
CC(C)[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1	159812973	NOQQKEZABVNVPM-OCCSQVGLSA-N	280.799	2.639	70	20	CFID	
C/C=C(\C=C\C(=O)NC[C@@]1(O)CCc2ccccc21)CC	159437625	UXFFIZNQOVSOKO-ACAMNVCWSA-N	285.387	2.849	70	20	CFID	
CCCCS(=O)(=O)N[C@H](C)Cc1ccc(C)s1	159673188	XIJFTSNLDLEJKR-SNVBAGLBSA-N	275.439	2.707	70	20	CFID	
COCCC(=O)N1C[C@@H](C)CSc2ccccc21	159693735	XKVXDJQAIQRDNV-LLVKDONJSA-N	265.378	2.798	70	20	CFID	
CCN(CC)C(=O)[C@@H](C)Nc1ccn(CCC(C)C)n1	159951456	CRBAWGQJNLRGMH-CYBMUJFWSA-N	280.416	2.598	70	20	CFID	
O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1cn[nH]c1	159771841	GDXDZWYQUHEFNF-UHFFFAOYSA-N	274.711	2.726	70	20	CFID	
COc1ccc(N(C)C(=O)c2cccnc2C)cc1F	159397560	RUYQOXRWUMXISF-UHFFFAOYSA-N	274.295	2.814	70	20	CFID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1cncs1	161048866	KTZRRMJAVHPDAS-SRVKXCTJSA-N	253.415	2.667	70	20	CFID	
Cc1c(CNC(=O)NC(CC(C)C)CC(C)C)cnn1C	161048193	LOBCCLCUOREBMY-UHFFFAOYSA-N	294.443	2.989	70	20	CFID	
CCN(C)C(=O)Cc1cccc(OC(F)(F)F)c1	161165459	PIHZBGLKYXVHRZ-UHFFFAOYSA-N	261.243	2.606	70	20	CFID	
Cc1nccn1C[C@H](C)CNC(=O)[C@@H]1CCC[C@H](C)C1	161175652	WOWLGPZNNFSWLN-GZBFAFLISA-N	277.412	2.770	70	20	CFID	
COC(CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1)OC	161271274	LRHPOJPLFVQBHN-SMDDNHRTSA-N	267.344	2.828	70	20	CFID	
C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)C1CC1	161487571	MSQGNRWTZAKCDJ-VXGBXAGGSA-N	296.411	2.500	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@H]1CCC[C@@H](C)C1	160065425	FFXQKJDYBNVBQP-KGLIPLIRSA-N	298.427	2.938	70	20	CFID	
CC(C)C(=O)N1CCC(NC(=O)[C@H]2CCC[C@@H](C)C2)CC1	160066341	RXNJOXKLLQIAKX-KGLIPLIRSA-N	294.439	2.576	70	20	CFID	
CC(C)(C)NC(=O)c1cccc(NCC2=CCCOC2)c1	160221324	CCMKURSZBUDQPL-UHFFFAOYSA-N	288.391	2.974	70	20	CFID	
CO[C@]1(C)C[C@@H](NCc2ccccc2NC(C)=O)C1(C)C	160511647	CODOOPPEMDYLKN-NVXWUHKLSA-N	290.407	2.938	70	20	CFID	
Cc1nc(C)c(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)o1	160547390	UQOFFXSNBPTOQC-CYBMUJFWSA-N	292.379	2.903	70	20	CFID	
Cn1cc(CNC(=O)C[C@@H]2CCCCC2(C)C)cn1	160695084	OMLMDFNKKCEDHM-ZDUSSCGKSA-N	263.385	2.643	70	20	CFID	
CC[C@@H](NCC(=O)N(CC)CC)c1ccc(F)cc1F	160828889	UTIMPWPIBKNDLW-CQSZACIVSA-N	284.350	2.874	70	20	CFID	
C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCCCO1	160986583	LAGHSUXBUVRIFZ-BXUZGUMPSA-N	265.328	2.914	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CN(C)C(=O)c1cccs1	159603336	DZQDBULEVOSYPA-VXGBXAGGSA-N	294.420	2.515	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)Nc2cccc3c2C(=O)NC3)C1	159627069	APLGECYUIHDANQ-WDEREUQCSA-N	272.348	2.695	70	20	CFID	
CCCOc1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159633953	WSIRZKRQZFIIQV-UHFFFAOYSA-N	286.331	2.724	70	20	CFID	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCn1ccnc1	159837875	NPVJFFULTYRVHH-UKRRQHHQSA-N	273.355	2.900	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2CCCS2)cc1F	159668690	PLIWEHHDUDPIQI-LBPRGKRZSA-N	269.341	2.693	70	20	CFID	
CNC[C@H](C)C(=O)Nc1cc(C2CCCCCC2)[nH]n1	159478879	IRNWNWRYIRCKRQ-NSHDSACASA-N	278.400	2.642	70	20	CFID	
Cc1ccc(NCc2ccco2)cc1NS(C)(=O)=O	159745701	YHPLNJIXQPKOBM-UHFFFAOYSA-N	280.349	2.572	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(CNCC2CC2)n1	159945087	SKVPASCXFVYIKS-OAHLLOKOSA-N	287.363	2.695	70	20	CFID	
Cc1cc(NC(=O)c2cc(F)cc3cccnc23)nn1C	159552059	SMZLGPLPKSQNNB-UHFFFAOYSA-N	284.294	2.668	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)NC(C)C)cc1	159580398	FAEXBMNUKYDRDK-UHFFFAOYSA-N	278.352	2.712	70	20	CFID	
CCCn1nccc1CNC[C@H](C(CC)CC)N(C)C	159990738	MMMYFJNTHLQHHN-MRXNPFEDSA-N	280.460	2.749	70	20	CFID	
O=C(C[C@@H]1C=CCC1)Nc1cccc(S(=O)(=O)F)c1	460093504	OCWQOWHVMORKKS-SNVBAGLBSA-N	283.324	2.640	70	20	CFID	
CC[C@@H](N[C@H](CCO)c1ccccc1)[C@H]1CCOC1	161068000	VIOZBXJLDJHQIX-ARFHVFGLSA-N	263.381	2.515	70	20	CFID	
Cc1cc(C)c2ncc(C(=O)N3CCCC3)c(O)c2c1	161143358	OOVHMPIMMPPRNW-UHFFFAOYSA-N	270.332	2.793	70	20	CFID	
CCCN(CCO)Cc1cccc(-c2cccnc2)c1	161211726	FJTOVKXNCYYRAO-UHFFFAOYSA-N	270.376	2.953	70	20	CFID	
COCCC1(C(=O)Nc2ccc(OC)c(N)c2)CCCC1	161355369	KUJWCRPVTRQSEU-UHFFFAOYSA-N	292.379	2.813	70	20	CFID	
O=C(NCCSc1ccccc1)NO[C@H]1CCCCO1	161419177	VJAYNACRAICPOH-ZDUSSCGKSA-N	296.392	2.536	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)N2CCN(C3CCCC3)CC2)C1	160009512	YUMXGHGATNMQQY-HUUCEWRRSA-N	278.440	2.900	70	20	CFID	
CC[C@H](NC(=O)C1(CCOC)CC1)c1c(C)noc1C	160214509	AEIBJASPQFMVQS-LBPRGKRZSA-N	280.368	2.675	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CO)CC1	160610934	CIRAMJTUBUJVIA-GFCCVEGCSA-N	295.810	2.750	70	20	CFID	
COc1c(F)ccc(F)c1C(=O)N(C)Cc1cccn1C	160833558	JSKDXZRZGLTNNK-UHFFFAOYSA-N	294.301	2.584	70	20	CFID	
CCC[C@@H]1CN(C(=O)NCCc2cccc(C)c2)CCO1	160834309	NGJSUSLKYOQGNI-MRXNPFEDSA-N	290.407	2.748	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H](C)C1CCOCC1	159457125	CWKKGTWXWRQGKK-WDEREUQCSA-N	294.395	2.716	70	20	CFID	
C[C@H](CCO)NC(=O)CCC(C)(C)c1ccccc1	159711372	FOZJPVUKMWROAB-CYBMUJFWSA-N	263.381	2.632	70	20	CFID	
CCC[C@H]1SCCN1C(=O)CCCn1cccc1	159558917	UULYVVDSEABGNL-CQSZACIVSA-N	266.410	2.970	70	20	CFID	
CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160242127	VMNOLZWOBBXOGD-QWRGUYRKSA-N	282.359	2.940	70	20	CFID	
CCN(CCCO)C(=O)C1(c2ccccc2)CCCC1	160466419	CFJYWUBBZBNCNA-UHFFFAOYSA-N	275.392	2.729	70	20	CFID	
C[C@H](NC(=O)C1CCC(F)(F)CC1)C(=O)OC(C)(C)C	161003978	PNADLEDIWDJSMO-VIFPVBQESA-N	291.338	2.658	70	20	CFID	
CN[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1	161200114	BJXVOYYNVOQQBZ-LBPRGKRZSA-N	292.379	2.864	70	20	CFID	
CC1(COc2cccc(Br)c2)COC1	218259373	UBDDNRCKURLJBM-UHFFFAOYSA-N	257.127	2.864	70	20	CFID	
CCCOc1ccc(CNCc2ccnn2CC)cc1	160026662	HUOAPKSVVVPULF-UHFFFAOYSA-N	273.380	2.982	70	20	CFID	
CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCOC(C)(C)C2)C1	160530289	HFDOBPONRZMDLP-OLZOCXBDSA-N	298.427	2.543	70	20	CFID	
C[C@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093526	PGEVYRNKIBXCLZ-VHSXEESVSA-N	285.340	2.720	70	20	CFID	
C[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)C1CC1	160229447	AKYPVLJFPZQWAW-AAEUAGOBSA-N	251.370	2.641	70	20	CFID	
COc1ccc(NC(=O)C[C@H](C)C(C)C)cc1N	161388851	YRUODZHFOAYYIF-JTQLQIEISA-N	250.342	2.898	70	20	CFID	
CC(=O)Nc1ccc(NC2CCC(NC(C)=O)CC2)cc1	161117084	FJNRETTVSAQJCB-UHFFFAOYSA-N	289.379	2.504	70	20	CFID	
CC(C)n1cc([C@@H](C)N[C@H]2CCC[C@H](N(C)C)C2)cn1	161123030	KMJQNSCDHJOALR-KBMXLJTQSA-N	278.444	2.987	70	20	CFID	
C[C@H](CC(=O)NCCOCc1ccccc1)c1ccncc1	161222982	DZNMPTYJZHJWJX-OAHLLOKOSA-N	298.386	2.908	70	20	CFID	
CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCC[C@H](N)C1	161226420	DKFGQECWYHXQOJ-LZWOXQAQSA-N	290.407	2.539	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCC(=O)OC(C)C	160078820	MIRZQPFQDVLFCI-VXGBXAGGSA-N	295.404	2.618	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cccnc1-n1ccnc1C	160166495	AHCDUFXMEUAIBM-JTQLQIEISA-N	290.392	2.656	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccncc1Cl	160179760	ULWYRCPPIXJWOY-NSHDSACASA-N	294.782	2.957	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2CCCCO2)n(-c2ccccc2C)n1	160416995	OBYXDKJMFYJFBL-HNNXBMFYSA-N	299.374	2.997	70	20	CFID	
CN1CCC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1	160678891	DHUSONYMSBPGGT-AWEZNQCLSA-N	266.429	2.755	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)cc1F	159626554	GTDOVYMQWCLAHA-BONVTDFDSA-N	298.333	2.582	70	20	CFID	
COCCSCc1noc(C2CCCCC2)n1	159849304	KLMLYUGJNMTZST-UHFFFAOYSA-N	256.371	2.997	70	20	CFID	
CCn1c(S[C@H](C)C(C)=O)nc2ccc(F)cc2c1=O	159863304	VJRQFVIEETXDGT-SECBINFHSA-N	294.351	2.625	70	20	CFID	
C[C@@H]1CN(C(=O)NCc2cn3ccccc3n2)CC[C@H]1C	159888203	SAZDEBAZYWVMPI-CHWSQXEVSA-N	286.379	2.522	70	20	CFID	
CCc1c(C(=O)N[C@@H](C)C2CC2)cnn1CC(C)C	159703946	OJGFMUYZWWWEMD-NSHDSACASA-N	263.385	2.630	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ncn(-c2ccccc2)n1	159749199	DJKCEOZDFFKCPG-JSGCOSHPSA-N	284.363	2.576	70	20	CFID	
Cc1cccc(C(C)C)c1NC(=O)NC1(CO)CC1	159951708	UENRPNJKOGQKME-UHFFFAOYSA-N	262.353	2.765	70	20	CFID	
C[C@@H](c1ncc(-c2ccccc2)o1)N(C)C[C@@H](C)O	159372031	FNZZRHVIFCORFC-NEPJUHHUSA-N	260.337	2.715	70	20	CFID	
Cc1cccc(N(C)C(=O)c2cnc3c(c2)ncn3C)c1	159779979	BGBHUJXWGHISIF-UHFFFAOYSA-N	280.331	2.553	70	20	CFID	
COc1cc(NC(=O)c2cc(F)ccc2F)ccn1	218294105	KRNCVRONXFTKNT-UHFFFAOYSA-N	264.231	2.621	70	20	CFID	
CCCCOCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1	160225400	MDTUTWZBAHPCJO-XHSDSOJGSA-N	268.445	2.704	70	20	CFID	
Cc1noc(C)c1C(=O)NC[C@@H]1CCCN1c1ccccc1	217835167	IVSFUFGFVRSQJT-HNNXBMFYSA-N	299.374	2.690	70	20	CFID	
CCO[C@H]1C[C@H](NCc2nn(C)c3ccccc23)C1(C)C	217879904	CKQVJJGGWWUJBC-HOTGVXAUSA-N	287.407	2.867	70	20	CFID	
COc1ccccc1CN(Cc1cccs1)C(N)=O	160160542	HGNXSPQEFPJIOC-UHFFFAOYSA-N	276.361	2.838	70	20	CFID	
CCC1(CO)CCN(c2nc(C(C)(C)C)ns2)CC1	160161681	DLUOQEUIOPTPQW-UHFFFAOYSA-N	283.441	2.825	70	20	CFID	
CCCC[C@@H](NC(N)=O)C(=O)NCC(C)(C)C1CCCC1	161128618	RKTGUPKBOYUYOZ-CYBMUJFWSA-N	297.443	2.546	70	20	CFID	
CC[C@@H](C)OCC(=O)NCc1ccccc1OC(C)C	160028917	OQXMMHNGNNSDDK-CYBMUJFWSA-N	279.380	2.905	70	20	CFID	
C[C@H](NC(=O)Nc1ccsc1)[C@@H](O)Cc1ccccc1	160077769	QKISVMKURDQJIF-FZMZJTMJSA-N	290.388	2.862	70	20	CFID	
Cc1ccc(OCC(=O)NCCc2cccc(O)c2)cc1C	160147892	SUZUWRVMJJZPGZ-UHFFFAOYSA-N	299.370	2.747	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1nc(C(C)=O)cs1	160189669	WUBXHHUPRZSZBX-QPUJVOFHSA-N	252.339	2.720	70	20	CFID	
CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccn(C)c1	160243187	SWGLVRIXJNOYFF-ZDUSSCGKSA-N	275.739	2.875	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](Cc1ccccc1)C1CC1)CC2	160321125	PEOHRQBMPNMTSC-IRXDYDNUSA-N	296.418	2.512	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cccc2c1CCC2	160472333	NDTPUZORHYTFST-UHFFFAOYSA-N	268.360	2.786	70	20	CFID	
CNC(=O)c1cccc(NC(=O)N[C@@H](C)C2CCC2)c1C	160491316	ITSAXSKOJUSKMG-NSHDSACASA-N	289.379	2.665	70	20	CFID	
Cc1nnc([C@@H](C)ONC(=O)CCCc2ccccc2)o1	160784981	OYABYFOSVBYNSR-LLVKDONJSA-N	289.335	2.510	70	20	CFID	
Cc1ncccc1NC(=O)C[C@H](C)c1ccncc1	160957385	GLOAJKWCKMDCFV-NSHDSACASA-N	255.321	2.917	70	20	CFID	
CC(C)Oc1ccccc1NC(=O)N[C@]1(C)CCOC1	160974806	XECNWHDHVJWUJE-OAHLLOKOSA-N	278.352	2.774	70	20	CFID	
CCOC(=O)CCCN(C)c1ccccc1OCC	159418727	YTHZKIJXJKGZJM-UHFFFAOYSA-N	265.353	2.865	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1	159857871	WYDLMOAISLPJNV-SOUVJXGZSA-N	281.444	2.548	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(F)c(F)c1	159694652	MCGOTTFLDUNGGN-UHFFFAOYSA-N	251.276	2.885	70	20	CFID	
Cc1ncccc1NC(=O)C[C@@H]1CSCCS1	159574580	KZGUXFYMRRCDSX-SNVBAGLBSA-N	268.407	2.567	70	20	CFID	
CC(C)C(=O)NCCCN[C@@H]1CCc2ccc(F)cc21	159976246	RRFMWIUQNUHCMA-OAHLLOKOSA-N	278.371	2.565	70	20	CFID	
Cc1cc(C)c(C(=O)NCC2(CO)CCCC2)c(C)c1	160292349	YBQXZRMKXAKMOR-UHFFFAOYSA-N	275.392	2.894	70	20	CFID	
Cc1cccc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c1F	161476969	PZLNJHHRYOIKSG-QWHCGFSZSA-N	263.312	2.528	70	20	CFID	
CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	809281766	XVGAGPGPKHZVHW-NXEZZACHSA-N	287.356	2.966	70	20	CFID	
C[C@H](SCc1nncn1C)c1ccc(F)cc1	161041028	NDOSJLPKOBAVEU-VIFPVBQESA-N	251.330	2.949	70	20	CFID	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCNC1	161246814	XWJQFLWSUAWEDV-YUELXQCFSA-N	290.382	2.530	70	20	CFID	
CCC(CC)(CN)C(=O)NCc1nc(C(C)C)cs1	161301202	IXDJYELSIIZLIO-UHFFFAOYSA-N	283.441	2.648	70	20	CFID	
CCCC(O)(CCC)CC(=O)NCc1csc(C)n1	160086295	WNLRDGMLVBOUDP-UHFFFAOYSA-N	284.425	2.789	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)C[C@H](C)O	160093819	WMNYCUDJYIIQRI-QMMMGPOBSA-N	280.755	2.583	70	20	CFID	
CS[C@H](C)CNC(=O)Nc1ccccc1-n1cccn1	160160884	QXOJCOLEEHZMQN-LLVKDONJSA-N	290.392	2.745	70	20	CFID	
Cc1cccc([C@H]2CCCN2CC(=O)N2CCCCC2)n1	160193654	UHINUCQWWBDIHN-MRXNPFEDSA-N	287.407	2.539	70	20	CFID	
COc1cc(C(C)=O)ccc1SCCn1ccnc1	160202430	FCGJDVWJRRBWIK-UHFFFAOYSA-N	276.361	2.887	70	20	CFID	
CC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1c(C)noc1C	160518549	KALMLJGNQSTSOP-UPJWGTAASA-N	262.353	2.905	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1	160810560	YCQBMCVKOYFROK-SJLPKXTDSA-N	297.402	2.967	70	20	CFID	
C[C@@]1(NC(=O)Nc2cccc(OC(F)F)c2)CCOC1	160839122	HPEYRUSSRHAJKP-CYBMUJFWSA-N	286.278	2.589	70	20	CFID	
CC(C(=O)NC[C@]1(O)CCc2ccccc21)=C1CCCC1	159425912	BDFHJDIWIMNRJS-GOSISDBHSA-N	285.387	2.827	70	20	CFID	
CCOc1ccccc1OC(=O)[C@H]1CCCCO1	159640334	ZJARMKZNMLXRTB-CYBMUJFWSA-N	250.294	2.560	70	20	CFID	
CCc1[nH]nc(NC(=O)c2ccn(C3CCCC3)n2)c1C	159741212	HVQAHXRIQXKFET-UHFFFAOYSA-N	287.367	2.844	70	20	CFID	
CCCn1nccc1CNC[C@@H](c1ccccc1)N(C)C	159972838	ZGJGHFNJLYWCGI-KRWDZBQOSA-N	286.423	2.686	70	20	CFID	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	218249198	QGDRFSKMSNCXGD-GHMZBOCLSA-N	297.424	2.803	70	20	CFID	
CCn1cc(CNc2cccc(-c3nnco3)c2)cn1	159614068	JHMSVGIDHSATOV-UHFFFAOYSA-N	269.308	2.565	70	20	CFID	
CCOCCCN1CCC(OC2CCCC2)CC1	159978499	MQQWXBXUVLYOCD-UHFFFAOYSA-N	255.402	2.837	70	20	CFID	
Cc1cccc([C@@H](C)NC[C@@H](O)COCC(C)C)c1	160225996	RCSTXPNXPMEGDC-GDBMZVCRSA-N	265.397	2.679	70	20	CFID	
COc1ccc(NC2CCC(NC(C)=O)CC2)c(C)c1	161134843	FHDLSBBPTDDKJP-UHFFFAOYSA-N	276.380	2.863	70	20	CFID	
CCCn1ccc2ccc(NC(=O)C(C)(C)N)cc21	161281278	TWDHPPKPTHZNDX-UHFFFAOYSA-N	259.353	2.727	70	20	CFID	
CCCn1nccc1CNc1ccc(C(=O)N(C)C)cc1	160017363	PDVSXPRORZFMKG-UHFFFAOYSA-N	286.379	2.607	70	20	CFID	
CC[C@H](C)N(C)CCNC1CCN(c2ccccc2)CC1	160114637	TVHJJQNZKVVJAB-INIZCTEOSA-N	289.467	2.975	70	20	CFID	
C[C@@H]1C[C@@H](NC[C@@H](C2CCCCC2)N(C)C)CCN1C	160392177	DFZNPADUUZNZCQ-PVAVHDDUSA-N	281.488	2.569	70	20	CFID	
CCCCSCCC(=O)N[C@@H](C)CN1CCCCC1	159751429	KSPJZCRIVFBPIO-AWEZNQCLSA-N	286.485	2.900	70	20	CFID	
Cc1cccc([C@H](NC(=O)[C@H](C)N(C)C)c2ccccn2)c1	159799298	PTYKDYNDCCEQBK-YOEHRIQHSA-N	297.402	2.546	70	20	CFID	
COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@@H]1CCOC1)CC2	159563647	XUSMWTUEUQXMME-JGGQBBKZSA-N	275.392	2.567	70	20	CFID	
O=C(CCC(F)(F)F)Nc1ccc(S(=O)(=O)F)cc1	123073342	WPZKBJCIHQLSGJ-UHFFFAOYSA-N	299.245	2.626	70	20	CFID	
CN(CCCN1CCCCC1)CCC(F)(F)F	161314585	UXSPVOSKXHNHQZ-UHFFFAOYSA-N	252.324	2.747	70	20	CFID	
CC1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCCCC1	1354032275	SZVGUKBXYFDZIU-UHFFFAOYSA-N	299.367	2.797	70	20	CFID	
COc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1N	161022580	GJOPZPWDEKBFMD-AAEUAGOBSA-N	292.379	2.811	70	20	CFID	
Cc1cnccc1CCNC(=O)N[C@@H](C)c1cccc(O)c1	161197693	HVHJZAHYJTVQAC-ZDUSSCGKSA-N	299.374	2.699	70	20	CFID	
CCC(CC)(CN)C(=O)N(CCC(F)(F)F)CC1CC1	161258209	ZAGMAXWTNHFXQU-UHFFFAOYSA-N	294.361	2.943	70	20	CFID	
CN(OCc1ccccc1)C(=O)N[C@@H]1CCOC(C)(C)C1	161281598	KGFOKZFSLXVZEC-CQSZACIVSA-N	292.379	2.717	70	20	CFID	
c1coc(-c2cc(CSCCN3CCOCC3)no2)c1	160014305	OQPYUTNJINGBMQ-UHFFFAOYSA-N	294.376	2.500	70	20	CFID	
Cc1nn(C)c2ncc(NC(=O)N[C@H](C)CC(C)C)cc12	160094704	HDZVXVSZBBHRED-SNVBAGLBSA-N	289.383	2.833	70	20	CFID	
CN(CC(=O)N(C)c1ccc2c(c1)OCO2)c1ccccc1	160334777	SXKCWAYXCFEVML-UHFFFAOYSA-N	298.342	2.515	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCc2ccn(C)c2)o1	160735227	CEJOKUOESBVQKD-VOTSOKGWSA-N	258.321	2.510	70	20	CFID	
CCCC1(CNC(=O)c2cccnc2N2CCCC2)CC1	160759919	GYBZHGQMHGNANH-UHFFFAOYSA-N	287.407	2.992	70	20	CFID	
COCCC1(C(=O)Nc2ccccc2O)CCCC1	160953136	BFMQGDSHYKXYQS-UHFFFAOYSA-N	263.337	2.928	70	20	CFID	
CCC[C@@H]1CN(C(=O)C(C)(CC)CC)CCN1CCOC	159407290	FJYABNMHUXVZNK-OAHLLOKOSA-N	298.471	2.772	70	20	CFID	
CC1(C)C[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1	159761308	UGPSKNACSHAILW-AWEZNQCLSA-N	269.348	2.916	70	20	CFID	
CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1c(F)cccc1F	159726546	FDVRCHFKPCRMTN-QWRGUYRKSA-N	284.350	2.776	70	20	CFID	
Cc1cccc(CSCC(=O)N[C@H]2CCC[C@@H](N)C2)c1	160932134	RXLILQDWEGFLBU-CABCVRRESA-N	292.448	2.614	70	20	CFID	
CC(C)N1C[C@H](NC(=O)NC(C)(C)CC(C)(C)C)CC1=O	217288606	XHXLYMJIKTVNLW-GFCCVEGCSA-N	297.443	2.510	70	20	CFID	
CSCC[C@@H](N)C(=O)N1CCCC2(CCCCC2)C1	159859515	VKFVASJERNJAMB-CYBMUJFWSA-N	284.469	2.640	70	20	CFID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC1CCCC1	160533091	KPDIDGMTQBDGOJ-STQMWFEESA-N	254.418	2.802	70	20	CFID	
CC(C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460097052	YTMRARXKCPSMKH-VIFPVBQESA-N	273.329	2.575	70	20	CFID	
C#CCCCCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	460088792	DEAQZJMQWOCBCO-UHFFFAOYSA-N	297.351	2.867	70	20	CFID	
C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H](c2ccsc2)O1	160001191	QVTZMFGZDLDLNU-MWLCHTKSSA-N	271.357	2.785	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(OC)cc1F	218104193	HEQWAEBPXSLKAS-VHSXEESVSA-N	253.317	2.999	70	20	CFID	
Cc1cccc(-c2cc(S(=O)(=O)Cl)on2)c1	521400390	KJLXXJRTPJMMFG-UHFFFAOYSA-N	257.698	2.578	70	20	CFID	
C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCC[C@H](N)C1	161011993	JDNPMIHJNVQIRZ-MELADBBJSA-N	282.428	2.500	70	20	CFID	
O=C([C@@H]1CCCCO1)N(Cc1cccc(F)c1)C1CC1	161022309	PUVGYHKPQLPTCD-HNNXBMFYSA-N	277.339	2.886	70	20	CFID	
CC(C)CNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	161046172	PUSGBOCCPGMGLW-QLFBSQMISA-N	258.365	2.670	70	20	CFID	
CCSCc1cccc(NC(=O)C(C)(C)N)c1	161480102	SNQDLENRHFNYHO-UHFFFAOYSA-N	252.383	2.616	70	20	CFID	
CCCn1nccc1CNc1ccc(OCC)c(CO)c1	160105458	WZYVATOTEPFPIW-UHFFFAOYSA-N	289.379	2.796	70	20	CFID	
O=C(C[C@H]1CCCN1)Nc1ccccc1OCC1CC1	160527460	CMJHKPJRNWTTKM-CYBMUJFWSA-N	274.364	2.556	70	20	CFID	
Cc1cccc([C@H](C)NCC(=O)NCC(F)(F)F)c1C	160536482	KQEBZLZFXUCZBL-NSHDSACASA-N	288.313	2.633	70	20	CFID	
CNC[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C	160722394	SXFYJTIDWSUZOH-CZUORRHYSA-N	274.408	2.822	70	20	CFID	
CC(C)(CO)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1	160915864	RBOGNDVVSVAFFM-CQSZACIVSA-N	293.407	2.678	70	20	CFID	
COc1cc(F)c(NC(=O)NOCC(C)C)cc1F	160965918	BGXVTCPPXYZPBH-UHFFFAOYSA-N	274.267	2.683	70	20	CFID	
CCC[C@H]1CN(C(=O)NCc2cccc(F)c2)CCO1	159682798	QFABHLFAXHVQGQ-AWEZNQCLSA-N	280.343	2.536	70	20	CFID	
Cc1cccc([C@H]2CCCN2CCC(=O)OC(C)C)n1	159706115	SYPWYWMZFCYCGC-OAHLLOKOSA-N	276.380	2.869	70	20	CFID	
CCC[C@H](NCC(C)(C)O)c1ccc(OC)cc1	160595782	KULZSVKNMHBZAW-AWEZNQCLSA-N	251.370	2.897	70	20	CFID	
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@H](C)CC(N)=O	161363505	WHXBZOLHGYQJBW-RKDXNWHRSA-N	283.441	2.664	70	20	CFID	
CCCNC(=O)NCCCOc1c(C)cccc1C	217298059	GSOYGVXDBPPCMK-UHFFFAOYSA-N	264.369	2.782	70	20	CFID	
CCC(CC)c1cc(CNC(=O)c2ccc(CN)o2)on1	161110706	QSLZEURCOQFICQ-UHFFFAOYSA-N	291.351	2.560	70	20	CFID	
CC(C)[C@@H](C)NCCCc1nnc2n1CCCCC2	161145266	ZITUECHTFLXCAJ-CYBMUJFWSA-N	264.417	2.571	70	20	CFID	
CCc1ccc(-c2ccc(CN3CCC[C@H]3C(N)=O)o2)cc1	160335877	WQWWDBBFXIUQHT-INIZCTEOSA-N	298.386	2.959	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160390679	OZWMYDKHKCYKRO-LSDHHAIUSA-N	280.412	2.776	70	20	CFID	
C[C@@H](NC[C@@H](C1CCCCC1)N(C)C)C1CCOCC1	160425062	CYQPIGQAAMNVPD-PBHICJAKSA-N	282.472	2.902	70	20	CFID	
CCN(Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1	160530996	UXVIWXIWJOZSMU-INIZCTEOSA-N	295.448	2.621	70	20	CFID	
CC(C)COCCN[C@@H](C)c1ccc([S@@](C)=O)cc1	160704248	ARKIENYFKGLQCJ-DJJJIMSYSA-N	283.437	2.747	70	20	CFID	
CCN1CCCC[C@@H]1C(=O)NCCCSCC(C)C	160771213	UFXYQHOYPONWQK-CQSZACIVSA-N	286.485	2.756	70	20	CFID	
COC(C)(C)C[C@@H](C)NC(=O)C[C@@H](C)c1ccncc1	160846261	MOLFVCMEAKMLGP-CHWSQXEVSA-N	278.396	2.895	70	20	CFID	
COc1ccc(C(=O)NCC2(C3CC3)CC2)c(C)c1	159765035	GMWGZBMOORVJDM-UHFFFAOYSA-N	259.349	2.924	70	20	CFID	
CN(CCCc1ccccc1)C(=O)[C@H]1CCn2ccnc2C1	159987364	CVQCEEZXCMVOSF-INIZCTEOSA-N	297.402	2.537	70	20	CFID	
O=C([C@H]1CCCNC1)N1CCCC2(CCCCC2)C1	159859107	ZHBSGVYTHJUJHA-AWEZNQCLSA-N	264.413	2.559	70	20	CFID	
Cc1nc2ccccc2nc1NCC1(CO)CCCC1	160200913	VSMMOURPEHVJHV-UHFFFAOYSA-N	271.364	2.903	70	20	CFID	
CSCC[C@H](C)N(C)C(=O)c1ccc2c(c1)CNCC2	161251553	UWLMMIPJTWMLFL-LBPRGKRZSA-N	292.448	2.546	70	20	CFID	
CC(C)c1nccc(N[C@H](CO)CC(C)(C)C)n1	161404898	RQNXWWSGGFMICL-NSHDSACASA-N	251.374	2.809	70	20	CFID	
CC(C)(C)C[C@@H](CO)Nc1cnc2ccccc2n1	161405976	AIFQHDNPWNIIDM-NSHDSACASA-N	259.353	2.839	70	20	CFID	
CCc1ncnc(NCCOCCC(C)C)c1F	217992948	RAVORMBELPGITH-UHFFFAOYSA-N	255.337	2.653	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@@H](C)[C@@H]1C	1337989639	HWMGKIZOJKXKHK-KOLCDFICSA-N	299.367	2.524	70	20	CFID	
C[C@H](CCc1ccco1)N[C@H]1CCN2CCCC[C@@H]12	217697163	GKBDPIIKYNCNDR-KBMXLJTQSA-N	262.397	2.817	70	20	CFID	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C1CCCC1	161474582	XUDCCANLLDSGRW-RYUDHWBXSA-N	282.428	2.622	70	20	CFID	
Cc1noc(C)c1CCS(=O)(=O)c1cccc(Cl)c1	160008633	VDEMYSHJXCAWCV-UHFFFAOYSA-N	299.779	2.961	70	20	CFID	
Cc1cnccc1CCNC(=O)NC[C@@H]1CC=CCC1	160116037	VCXIMHTYUCRMDX-CQSZACIVSA-N	273.380	2.588	70	20	CFID	
COC[C@@H](NCCN(C)Cc1ccc(F)cc1)C(C)C	160135176	LKXPCLFNMYWZHX-MRXNPFEDSA-N	282.403	2.518	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)N[C@H]2COc3ccccc3C2)C1	160517803	XVXFTOZLBAJCOV-BPLDGKMQSA-N	273.376	2.933	70	20	CFID	
CC1(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCCCC1	160594672	JDNURWNKJKFEAR-KGLIPLIRSA-N	280.412	2.966	70	20	CFID	
C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCN(CC2CC2)C1	160664956	GFEJOBGQNPVTCM-XJKSGUPXSA-N	299.418	2.632	70	20	CFID	
CCn1cc([C@@H](C)NCc2ccc(CN(C)C)cc2)cn1	160852033	DARIWUUBTVDLBL-CQSZACIVSA-N	286.423	2.815	70	20	CFID	
CONC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl	159854068	JUGMONSJXOUURR-UHFFFAOYSA-N	284.743	2.616	70	20	CFID	
COC[C@@H]1CCCN(c2ccnc(Cc3ccccc3)n2)C1	159518850	KTHHMZXKRIYMQX-MRXNPFEDSA-N	297.402	2.930	70	20	CFID	
Cc1cc(NC(=O)c2cc(-c3ccccc3)no2)c[nH]c1=O	159535555	KKQWFUMDMQLXKV-UHFFFAOYSA-N	295.298	2.591	70	20	CFID	
CCCCO[C@@H]1C[C@H](N[C@@H]2CCN(C)C[C@@H]2C)C1(C)C	159780546	YFWMFXKAMJQLPS-XUWVNRHRSA-N	282.472	2.900	70	20	CFID	
CCCCn1ncc(NC(=O)NCC[C@H](O)C(C)C)c1C	159787012	WVMCZCJVGLQWMR-AWEZNQCLSA-N	296.415	2.520	70	20	CFID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccs1	159789782	HDVSJZVEOMFBHJ-GFCCVEGCSA-N	296.417	2.915	70	20	CFID	
CSC[C@@](C)(O)CNCc1ccccc1OC(C)C	217847291	HSIZSDCIUOROHI-HNNXBMFYSA-N	283.437	2.677	70	20	CFID	
COCc1cccc(N[C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1	217985170	JNSDSQBYPIUHND-HEHGZKQESA-N	262.397	2.974	70	20	CFID	
CC(C)(C)CNc1ccc2nnc(C(F)(F)F)n2n1	218123630	MFUQJMMITLFVOT-UHFFFAOYSA-N	273.262	2.601	70	20	CFID	
CN(Cc1ccc(OC(F)(F)F)cc1)[C@H](CN)C1CC1	159709177	HQNWWMLJQNYZEY-CYBMUJFWSA-N	288.313	2.754	70	20	CFID	
CCc1ccc2nc(CCCCl)[nH]c(=O)c2c1	57772140	LNQOWRQKUPOCGB-UHFFFAOYSA-N	250.729	2.657	70	20	CFID	
CCOCCCC(=O)N1CCC[C@@H]1c1ccc(COC)o1	161255995	KVZKLYWWPBOASM-CQSZACIVSA-N	295.379	2.906	70	20	CFID	
CC(C)c1ccsc1C(=O)N[C@@H]1CCC[C@@H](N)C1	161291527	CMJSVXMVESCXLW-GHMZBOCLSA-N	266.410	2.871	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccn(C)n1	160073590	CXJJZPRQFGHVOC-UWVGGRQHSA-N	261.350	2.532	70	20	CFID	
CC[C@H](C)N(C)CCN[C@H](COC)Cc1ccccc1	160107660	UZMBQZSYZSAOMR-RDJZCZTQSA-N	278.440	2.564	70	20	CFID	
O=C(Cn1ccc2ccccc21)NCCc1cccc(O)c1	160232455	SAQOBNAOXIDPKM-UHFFFAOYSA-N	294.354	2.706	70	20	CFID	
Cc1cccc([C@@H]2CCCN2CCOC[C@@H]2CCCO2)n1	160240026	ULPWJKREONYUKF-RDJZCZTQSA-N	290.407	2.723	70	20	CFID	
CC[C@H](NC(=O)c1cscn1)c1c(C)noc1C	160252440	NQBBGZLXILZWIQ-VIFPVBQESA-N	265.338	2.629	70	20	CFID	
CCN(CC)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160326431	JQCQWUOLYPFHEH-CQSZACIVSA-N	278.352	2.728	70	20	CFID	
CCC(N)(CC)CNC(=O)C(C)(C)Cc1ccccc1	160463349	PNZUXPWWBFTXDL-UHFFFAOYSA-N	276.424	2.889	70	20	CFID	
CC(C)NC(=O)CN[C@H]1CC2(CCC2)Oc2ccccc21	160972784	XHKLWIYFVJXLEK-AWEZNQCLSA-N	288.391	2.547	70	20	CFID	
Cc1nc(C)c(CNC(=O)NC2C[C@H](C)O[C@@H](C)C2)s1	159430427	JFFQNTJROYUQDN-IUCAKERBSA-N	297.424	2.515	70	20	CFID	
CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCCO2)cc1	159959080	QUUBFMJLPPCEKS-IUODEOHRSA-N	261.365	2.995	70	20	CFID	
CN1CCC(CCNC(=O)NCC2(C3CC3)CCC2)CC1	159770688	ACRUUGBIKLMOFC-UHFFFAOYSA-N	293.455	2.598	70	20	CFID	
O=C(Nc1ccc(F)c(F)c1F)N[C@H]1CC[C@H](O)CC1	159882172	QOBULDIZWUTONK-OCAPTIKFSA-N	288.269	2.529	70	20	CFID	
CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160241856	VMNOLZWOBBXOGD-WDEREUQCSA-N	282.359	2.940	70	20	CFID	
Cc1ccc(C)c(OCCCN2CCC(C)(O)CC2)c1	161196068	TXMIWPGKBIMJDO-UHFFFAOYSA-N	277.408	2.919	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CCCS1	160996936	NMXLJXDLDWRJOJ-CABZTGNLSA-N	283.418	2.721	70	20	CFID	
CC[C@H](C)N(C)CCNCc1ccc(OC)c(F)c1	217396336	FZIXGLKLCFIGTO-LBPRGKRZSA-N	268.376	2.654	70	20	CFID	
C[C@@H]1CCCCN1C(=O)NCCc1cccc(F)c1	217440752	VHYSMELYNDGTBC-GFCCVEGCSA-N	264.344	2.952	70	20	CFID	
Cc1nnc(NC[C@](C)(O)c2ccccc2Cl)s1	160151778	PBKDBGUURJIEAY-LBPRGKRZSA-N	283.784	2.820	70	20	CFID	
CC(C)[C@@H]1CCCC[C@H]1NCCN1CCC(N(C)C)CC1	160202821	YCOMNHSKFDELTQ-ZWKOTPCHSA-N	295.515	2.817	70	20	CFID	
CC[C@H](COC)NCc1ccc(N2CCCCCC2)nc1	160553160	WQFUTHYAKOWEBG-MRXNPFEDSA-N	291.439	2.977	70	20	CFID	
COc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)n1	160663572	IRGGNMBUMBYTRL-UHFFFAOYSA-N	292.360	2.508	70	20	CFID	
CCOc1ccccc1OCC(=O)NCC1(C2CC2)CC1	159697214	SJWIMRMNAIMNSK-UHFFFAOYSA-N	289.375	2.771	70	20	CFID	
CC(C)(CN)C(=O)N1CC2(CCCC2)c2ccccc21	159368130	LIJZXHFUIQHUAU-UHFFFAOYSA-N	272.392	2.830	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N(C)[C@@H](CC)c1ccncc1	159776550	ZKUPPIZLFWAWTI-JSGCOSHPSA-N	284.425	2.840	70	20	CFID	
CCSCC[C@@H](C)NC[C@@H](O)COc1cccc(C)c1	160140002	QRBJPPJTHHBHJW-HUUCEWRRSA-N	297.464	2.856	70	20	CFID	
Cc1sc(-c2ccco2)nc1C(=O)NC(C)(C)CCO	161502443	PKDOOVFKEZQKLF-UHFFFAOYSA-N	294.376	2.602	70	20	CFID	
Cc1ccc(C(=O)CCN2CCOC[C@@H]2C2CC2)cc1	161272086	LIFZPJSPXHFDHA-MRXNPFEDSA-N	273.376	2.679	70	20	CFID	
COC(=O)N(C)c1ccc(NC(=O)C[C@@H](C)SC)cc1	161027669	PBJXWCXDYJCECH-SNVBAGLBSA-N	296.392	2.969	70	20	CFID	
COc1ccc(COCCCN[C@@H](C)[C@H]2CCOC2)cc1	161068931	JFMRVVNNKHUJKG-HOCLYGCPSA-N	293.407	2.617	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)Cc1ccc(O)cc1Cl	160405313	JDOQDRHGMDFJHQ-AOOOYVTPSA-N	267.756	2.988	70	20	CFID	
CS[C@@H](C)CC(=O)NC1CCN(C(C)(C)C)CC1	160506684	WLWXRHWGQHXESL-NSHDSACASA-N	272.458	2.507	70	20	CFID	
CCCC1(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)CC1	160516966	PTMIGYUCZLQDCA-ZDUSSCGKSA-N	294.439	2.768	70	20	CFID	
CCC(N)(CC)CNC(=O)c1sc(CC(C)C)nc1C	160518357	INPSRIPSHCZWCR-UHFFFAOYSA-N	297.468	2.897	70	20	CFID	
CC(C)Oc1ccccc1C(=O)N[C@@H](CCO)C(C)C	160730648	RHLGVYPOROVMRC-AWEZNQCLSA-N	279.380	2.611	70	20	CFID	
CC[C@H](N)C(=O)N(CCc1ccc(Cl)cc1)CC1CC1	160881593	JKLRBMBXLDBCMY-HNNXBMFYSA-N	294.826	2.858	70	20	CFID	
COC[C@@H](N[C@H](CCCO)c1ccccc1)C1CC1	160916676	SBGSJQOSERMLAM-HZPDHXFCSA-N	263.381	2.515	70	20	CFID	
CC(C)[C@@H](O)CNC(=O)CCC(C)(C)c1ccccc1	159408322	MQOQBAXDUQTVJS-HNNXBMFYSA-N	277.408	2.878	70	20	CFID	
COc1cc(C(=O)Nc2nc(SC)ns2)ccc1F	159603560	IWKVSVIDEDLDKF-UHFFFAOYSA-N	299.352	2.660	70	20	CFID	
CCCCCN(c1ccc(C(C)=O)cc1)S(C)(=O)=O	159675256	YRRVOULJWSLITJ-UHFFFAOYSA-N	283.393	2.845	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2cccc(F)c2)[nH]n1	159954121	RDTDHQLOWRXZOF-UHFFFAOYSA-N	297.355	2.692	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@@H]2CCCCO2)c1C	159977485	MGCXPXWZKIYVJK-ZDUSSCGKSA-N	294.399	2.682	70	20	CFID	
COc1ccc(OC)c(N[C@@H](C)CCn2cccn2)c1	159391357	PVNYCKWZXOVILU-LBPRGKRZSA-N	275.352	2.791	70	20	CFID	
CC(C)(C)NC(=O)N[C@H]1CCCc2cc(N)ccc21	159441189	TZGYHGIARNWBKT-ZDUSSCGKSA-N	261.369	2.744	70	20	CFID	
O=C(CCSc1ccccc1)N1C[C@@H]2CCC[C@H](C1)N2	159858526	CEKYTHPDXDDDIB-OKILXGFUSA-N	290.432	2.522	70	20	CFID	
CC(C)NCCC(=O)N1CCCC2(CCCCC2)C1	159858844	XEWKXERUUHGXCT-UHFFFAOYSA-N	266.429	2.947	70	20	CFID	
Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(C)c1F	160489679	FOHFQIGZLAXCSU-VXGBXAGGSA-N	265.328	2.692	70	20	CFID	
O=C(NCCn1cccn1)c1occc1-c1ccc(F)cc1	161023241	HBRXGLPITSJKIZ-UHFFFAOYSA-N	299.305	2.712	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1	160172871	GUCFFJWPFQHZHP-HIFRSBDPSA-N	298.390	2.710	70	20	CFID	
CCO[C@H](CC)C(=O)N[C@@H](CC)c1c(C)noc1C	160458859	UKMCGHVCHCLFOF-NWDGAFQWSA-N	268.357	2.674	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccoc1	160787998	LEBKKZZHRFPZBO-SECBINFHSA-N	263.318	2.732	70	20	CFID	
C[C@@H]1C[C@H](NC[C@@H]2CCc3ccccc32)CCN1C	160960973	IDLBDDNBOBRTMP-VNQPRFMTSA-N	258.409	2.789	70	20	CFID	
CCOC(=O)CCc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1	159618002	MFWCRVCWAPRLAI-FZMZJTMJSA-N	290.363	2.712	70	20	CFID	
CCCc1nnc(NC(=O)[C@@H]2C[C@]2(C)CC)s1	159837941	GFQFMPYPZZKUBE-UFBFGSQYSA-N	253.371	2.865	70	20	CFID	
CCOc1cccc(CN[C@@H](COC)c2ccco2)n1	159479554	FQEVHOGKDSHMLG-ZDUSSCGKSA-N	276.336	2.551	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cccc(-n2ccnc2)c1	159974368	SRSLMUVHKWHIFS-LLVKDONJSA-N	275.377	2.952	70	20	CFID	
CC(C)[C@@H](CNCc1ccn(C)n1)c1ccccc1	218093972	OYMYPXOTZLGYPK-MRXNPFEDSA-N	257.381	2.950	70	20	CFID	
CCCn1nccc1CNCCOC1CCCCC1	160147795	TXMYITVNWNMKQS-UHFFFAOYSA-N	265.401	2.732	70	20	CFID	
CCc1nc(CN[C@@H](c2ccccc2)C2CC2)n[nH]1	160541183	KJRUCSTVQQYGBP-HNNXBMFYSA-N	256.353	2.608	70	20	CFID	
O=S(=O)(Cl)CCCCCCOC1CCC1	112155535	LZYZVXDUMKKCDD-UHFFFAOYSA-N	254.779	2.685	70	20	CFID	
CC[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@H](N)C1	161036441	PCYXRCCGDWSGPZ-ILXRZTDVSA-N	266.429	2.979	70	20	CFID	
COCCCNC(=O)Nc1c(F)cccc1Cl	217313066	NIIOCWPJFBYHBS-UHFFFAOYSA-N	260.696	2.637	70	20	CFID	
CN(Cc1cscn1)C(=O)N1CCCCCC1	160466155	KKZKGVLHUZMIJD-UHFFFAOYSA-N	253.371	2.571	70	20	CFID	
CC(C)(COCC1CCCC1)CS(=O)(=O)Cl	117276879	BPXIUPBMOIRTGU-UHFFFAOYSA-N	268.806	2.788	70	20	CFID	
CC1(C)CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160338754	ITYVYEALUXWWBO-UHFFFAOYSA-N	290.289	2.709	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1ccc2cc[nH]c2c1	217749168	BTQXNTMWCCMKBA-CYBMUJFWSA-N	259.397	2.988	70	20	CFID	
CCN(CCNCc1ccc2cc[nH]c2c1)C1CC1	217415829	ITYBNHRDMYGIIG-UHFFFAOYSA-N	257.381	2.742	70	20	CFID	
C[C@H](SCc1nncn1C)c1ccccc1F	161043135	AXRIODYPLLUPFV-VIFPVBQESA-N	251.330	2.949	70	20	CFID	
CCOc1cc(CNC(=O)NC2(C)CCC2)ccc1OC	161245379	IHMVTKWDPFDOGS-UHFFFAOYSA-N	292.379	2.836	70	20	CFID	
O=C(c1ccc(OCc2nccs2)cc1)N1CCCC1	161321933	KPNVABMFWCALHN-UHFFFAOYSA-N	288.372	2.958	70	20	CFID	
O[C@H](C1CCN(Cc2ccccc2F)CC1)C(F)(F)F	161467564	SGENGXIYVVBXGY-CYBMUJFWSA-N	291.288	2.961	70	20	CFID	
Cc1cc(C(=O)N2CCOc3ncccc32)cc(C)c1F	160149410	DLWBYHUZAWHTTE-UHFFFAOYSA-N	286.306	2.877	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C1CC1)[C@@H](C)C(C)C	160214342	UCADPEYQAYPGON-ZDUSSCGKSA-N	298.427	2.937	70	20	CFID	
C1C[C@@H](Nc2nc(C3CC3)ns2)C[C@@H](C2CC2)O1	160387297	ZZCUSLXFWYRBAC-MNOVXSKESA-N	265.382	2.785	70	20	CFID	
CCCC(=O)N1CCCC[C@@H]1C(=O)NCC1(CCC)CC1	160690579	FPEZRBXTCXYQAO-CQSZACIVSA-N	294.439	2.864	70	20	CFID	
CCC(=O)c1cccc(NC(=O)[C@H]2CCc3cn[nH]c3C2)c1	160736902	QSAQKOHKKAGOOE-LBPRGKRZSA-N	297.358	2.746	70	20	CFID	
Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CSCN1	159691121	PFFNCQNJYZALJK-GJZGRUSLSA-N	292.448	2.861	70	20	CFID	
CC(C)Cc1ccc(CCCC(=O)NC[C@H](C)CO)cc1	159566997	ZNJZVWBLVQQALH-HNNXBMFYSA-N	291.435	2.952	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)NCCc1ccncc1C	159969709	YTMMLHBUSLTJED-WCQYABFASA-N	263.385	2.666	70	20	CFID	
COc1ccc(C[C@@H](C)C(=O)N2CCOCC2(C)C)cc1	159581729	XKIOHVOWQHVBBH-CYBMUJFWSA-N	291.391	2.511	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1ccccc1	159681657	SIIASHMNTZUTGG-HOTGVXAUSA-N	272.392	2.567	70	20	CFID	
CC(C)CO[C@@H]1C[C@@H](NCC2(CO)CCCC2)C1(C)C	160106722	CMVOORDXYHSJQC-HUUCEWRRSA-N	283.456	2.968	70	20	CFID	
COc1cccc([C@@H](O)CN[C@@H](C)c2ccco2)c1	160783581	DUZDQQYBPNTQDK-FZMZJTMJSA-N	261.321	2.672	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1	160965590	GLMOJXBMIVIZEL-NEPJUHHUSA-N	286.297	2.705	70	20	CFID	
C[C@@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)c1ccco1	809281173	IZQOOUWGIKHMQT-SECBINFHSA-N	297.307	2.680	70	20	CFID	
C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)F)cc1	864242082	UUUYPFLITUQILB-ZYHUDNBSSA-N	299.367	2.511	70	20	CFID	
CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238334	ZXZFWQSJRIDESI-GXTWGEPZSA-N	299.367	2.966	70	20	CFID	
CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238871	RKIJKMBFZVGTDM-ZWNOBZJWSA-N	299.367	2.966	70	20	CFID	
CC(C)[C@@H]1CCc2ccccc2N1CCS(=O)(=O)F	883954696	WNFFMHITPJRGJJ-ZDUSSCGKSA-N	285.384	2.763	70	20	CFID	
Cc1cccc(C)c1NCc1nnc2n1CCCC2	217318901	IUMMBSPSVQWUGH-UHFFFAOYSA-N	256.353	2.843	70	20	CFID	
CCCCn1ncc(C(=O)NCCCOCC(C)C)c1C	161336467	KILZWYKDIAZDNT-UHFFFAOYSA-N	295.427	2.784	70	20	CFID	
CN(C)c1ccc(NC(=O)NCC2(C3CC3)CCC2)cn1	160077996	AKYXEVWNHASATA-UHFFFAOYSA-N	288.395	2.849	70	20	CFID	
CC[C@H](NC(=O)[C@@H]1CCCCO1)c1ccc(OC)cc1	160105248	LPVWDYFOSAFLFG-GJZGRUSLSA-N	277.364	2.832	70	20	CFID	
C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc2cc(F)ccc2o1	160426129	HUGDUHCZGZGNIQ-MFKMUULPSA-N	277.343	2.743	70	20	CFID	
CCCC1(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1	160624188	PKDLJFBIIDLSMH-NSHDSACASA-N	284.400	2.596	70	20	CFID	
CCCCN(C)CC1CCN(C[C@@](C)(O)CC)CC1	160630877	ABJLLWLPDAINJI-INIZCTEOSA-N	270.461	2.591	70	20	CFID	
C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)cc1F	159626682	GTDOVYMQWCLAHA-BMIGLBTASA-N	298.333	2.582	70	20	CFID	
Cc1nc(CC(=O)N[C@H]2CCOC3(CCCC3)C2)cs1	159667280	BCRSJMTYQKFFSM-LBPRGKRZSA-N	294.420	2.602	70	20	CFID	
O=C(CNCC1CC1)N1CC2(CCCC2)c2ccccc21	159368834	GHCGZNQKZHVLJF-UHFFFAOYSA-N	284.403	2.845	70	20	CFID	
Cc1nccc(NC(=O)N[C@H](CO)CC(C)(C)C)c1Cl	159388088	CVNINKQTQLRRDL-JTQLQIEISA-N	299.802	2.962	70	20	CFID	
Cc1nc(C)c(C(=O)NCCNC2CCCCCC2)s1	218317838	NODXKKGCDWVZTA-UHFFFAOYSA-N	295.452	2.802	70	20	CFID	
CC(C)N1CC[C@H](N[C@H](C)c2cccc(F)c2F)C1=O	159443241	DJFISYJOFBCHET-MFKMUULPSA-N	282.334	2.625	70	20	CFID	
CN(Cc1ccc(F)c(F)c1)C[C@H]1CCC[C@@H]1O	159539376	YSBVRDIJWNOGIF-RISCZKNCSA-N	255.308	2.558	70	20	CFID	
C[C@@H]1CN(Cc2csc(C3CC3)n2)[C@H](C)CO1	161376917	RUIWAXOWYXTGFU-NXEZZACHSA-N	252.383	2.630	70	20	CFID	
CCC(CC)c1cc(CNC(=O)[C@@H]2CCC[C@@H](N)C2)on1	161109824	YGTRAYGMXZEGPU-CHWSQXEVSA-N	293.411	2.712	70	20	CFID	
CCOc1ccc(C(C)=O)cc1CN1CCC(C)(O)CC1	161209210	HEJYKEJFRRYVSX-UHFFFAOYSA-N	291.391	2.635	70	20	CFID	
Cc1cccc(CS(=O)(=O)NCC2(C3CC3)CC2)c1	160143575	YQPJLIGVDJWNOU-UHFFFAOYSA-N	279.405	2.605	70	20	CFID	
Cc1nccn1-c1ccc([C@@H](C)NCC(C)(C)O)cc1	160621797	YFSYMZXKGZDVJS-GFCCVEGCSA-N	273.380	2.602	70	20	CFID	
Cc1nc(-c2cccnc2)sc1[C@@H](C)NCC(C)(C)O	160626347	LTDIJBAJGFIUFL-SNVBAGLBSA-N	291.420	2.935	70	20	CFID	
CC[C@H](C)OCC(=O)NCC(C)(C)N1C[C@@H](C)C[C@@H](C)C1	160655615	MOLDSCQZIJJQHK-ZNMIVQPWSA-N	298.471	2.674	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCC(C)CC2)c1	160703363	KVKUQLYNVVYWNG-UHFFFAOYSA-N	282.365	2.799	70	20	CFID	
O=C(NCc1cccc(Cl)c1)[C@@H]1CCCCO1	159481207	GMEDRBVTTHTUJD-LBPRGKRZSA-N	253.729	2.525	70	20	CFID	
C[C@]1(NC(=O)Nc2cc(Cl)ccc2F)CCOC1	159689188	CSAWOGPOJDLEDS-LBPRGKRZSA-N	272.707	2.780	70	20	CFID	
COCc1ccccc1NC(=O)N1CCC[C@H]1C[C@H](C)O	159882095	LDEDJMNEPMCFGI-JSGCOSHPSA-N	292.379	2.600	70	20	CFID	
COCc1cc(N2CCCCC2)nc(C(C)(C)C)n1	159727281	XUZGRNVUEPUWKU-UHFFFAOYSA-N	263.385	2.911	70	20	CFID	
CNC(=O)c1ccc(C)c(NCc2ccc(C)nc2)c1	159567160	WZDHGPOGRIXEFG-UHFFFAOYSA-N	269.348	2.670	70	20	CFID	
OCC1(CNc2nnc(C(F)(F)F)s2)CCCCC1	160179461	XFTSDIVKLLLSED-UHFFFAOYSA-N	295.330	2.912	70	20	CFID	
CCN(CCCO)C(=O)C1(c2ccc(Cl)cc2)CC1	160498506	CPHIXCLINNDSDX-UHFFFAOYSA-N	281.783	2.603	70	20	CFID	
C[C@H](CC(=O)NCCCC(C)(C)C)[C@@H]1CCCNC1	160538246	JBKAQMIXBQYJAQ-ZIAGYGMSSA-N	268.445	2.955	70	20	CFID	
Cc1csc2nc(CSCCCF)cc(=O)n12	161094047	JOLZQTVPHZCPNB-UHFFFAOYSA-N	272.370	2.657	70	20	CFID	
CC(=O)NC1CCC(NCCc2cc(F)cc(F)c2)CC1	161412853	WZPOGFQMOYMFEY-UHFFFAOYSA-N	296.361	2.544	70	20	CFID	
O=C(NOCc1cccnc1)C1(c2ccccc2)CCC1	160739657	XOUNXTPAMGMBNA-UHFFFAOYSA-N	282.343	2.751	70	20	CFID	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccnc1	160814810	YFFOFZZJQDTDQQ-CMPLNLGQSA-N	291.376	2.777	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(-n2cccn2)nc1	160876779	WRVUTEZUXFKILA-SWLSCSKDSA-N	270.336	2.642	70	20	CFID	
CO[C@]1(C)C[C@@H](N(C)Cc2cnc3ccccn23)C1(C)C	160899177	GRVSLKZOXLOPRS-RHSMWYFYSA-N	287.407	2.970	70	20	CFID	
CCC1(CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1	160940465	WYCZAFCYHSWNDL-UHFFFAOYSA-N	299.378	2.794	70	20	CFID	
Cc1nccc(NC(=O)N2CCOC[C@@H]2C2CC2)c1Cl	159857435	XJYHYHMDUYEDAK-GFCCVEGCSA-N	295.770	2.686	70	20	CFID	
Cc1cc(NC(=O)[C@@H](C)Cc2ccccc2)c[nH]c1=O	159562212	RCJUFBVZNVMYFR-NSHDSACASA-N	270.332	2.501	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1CC=CCC1	159569790	RIPBIHYKOCINBA-KBPBESRZSA-N	263.381	2.951	70	20	CFID	
COC(=O)c1ccc(NC(=O)NCC2(C3CC3)CC2)cc1	159977492	YPRNPKIGCILTET-UHFFFAOYSA-N	288.347	2.785	70	20	CFID	
Cc1cccc([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1	159837811	APAYRXPDPBPQEB-GHMZBOCLSA-N	288.313	2.713	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H](C)c1ccc2c(c1)OCO2	160145091	XVEBPNNPAYLMJB-STQMWFEESA-N	278.396	2.796	70	20	CFID	
CC(C)(C)C(=O)Nc1ccc(-c2cnccn2)cn1	216653740	WEEMECAIOYXDKU-UHFFFAOYSA-N	256.309	2.523	70	20	CFID	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)s1	185110175	ANTQROFMILSDKW-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC(C)N(C)CCNc1ccncc1Br	159841247	KYBVNABPQPIJAL-UHFFFAOYSA-N	272.190	2.596	70	20	CFID	
COc1ccc(C(=O)N[C@@H](C)c2cccnc2)c(F)c1	218441533	GIYZXKZAUNNSNV-JTQLQIEISA-N	274.295	2.720	70	20	CFID	
Cn1cccc1CNC1CCN(C(=O)OC(C)(C)C)CC1	217799340	VKXYNHPKQDLABW-UHFFFAOYSA-N	293.411	2.514	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@H]1c1cccs1	160014380	GBFMYPAALYNOQL-RYUDHWBXSA-N	265.378	2.981	70	20	CFID	
NC[C@H]1CCCN1C(=O)/C=C/c1cc(Cl)ccc1Cl	160240913	CUKVPFSGLLIYGC-MJRJWQSSSA-N	299.201	2.956	70	20	CFID	
Cn1cc(NC(=O)NCC(C)(C)C2CCCC2)cn1	160364066	ICDLRJDZIYNFQE-UHFFFAOYSA-N	264.373	2.758	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3cc(C)oc3C)[nH]2)o1	160379061	IWPJKKVNWAQRJJ-UHFFFAOYSA-N	286.291	2.835	70	20	CFID	
COC[C@@H]1CCCN(Cc2c(C)nc3ccccn23)C1	160394507	AJLRPFAGACNAQJ-CQSZACIVSA-N	273.380	2.501	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)OC1CCCCCC1	160533205	DUNJZBRRFNIKOJ-CHWSQXEVSA-N	299.411	2.572	70	20	CFID	
CC[C@@H](O)CCNC(=O)N[C@H](C)CCCC(C)C	160651658	HKHUDJYPIVZCTQ-CHWSQXEVSA-N	258.406	2.661	70	20	CFID	
C[C@H]1CN(C(=O)Nc2cccn(C)c2=O)[C@@H]1c1ccccc1	160761660	XXQCHRLYKRGMLH-WFASDCNBSA-N	297.358	2.610	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(C(C)C)cc1	159862514	XWSBAPWDVKRWBP-UHFFFAOYSA-N	291.395	2.800	70	20	CFID	
CC(C)OC1CCC(NC(=O)[C@H](C)OCC2CC2)CC1	159553776	HQGPKILWKNPJEZ-GRTSSRMGSA-N	283.412	2.654	70	20	CFID	
Nc1ccc2c(c1)CCC[C@@H]2NC(=O)C1[C@H]2CCC[C@H]12	159377773	JIWHGLLYQUCYAS-KKUMJFAQSA-N	270.376	2.809	70	20	CFID	
O=C(Nc1ccccc1Cl)N1CCc2ncncc2C1	218068589	AAFFKPDBDRWKFE-UHFFFAOYSA-N	288.738	2.720	70	20	CFID	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccn1C	217804836	MWUNARRGSIMZKK-UHFFFAOYSA-N	280.331	2.976	70	20	CFID	
CCN(C)CCNc1ncc(Cl)cc1Br	159589632	GTUFYVGFCWZDFX-UHFFFAOYSA-N	292.608	2.861	70	20	CFID	
CN(Cc1cccnc1)Cc1cccc(N(C)C)c1	159788642	HWFQHLHCYNTQRV-UHFFFAOYSA-N	255.365	2.780	70	20	CFID	
COc1cccc(COC(=O)c2cc(F)cc(N)c2F)c1	217926269	QGXUWTWPBCAXJF-UHFFFAOYSA-N	293.269	2.913	70	20	CFID	
Brc1cncc(CNC[C@H]2CCCS2)c1	160589213	GHOSFXCHXRUZDF-LLVKDONJSA-N	287.226	2.829	70	20	CFID	
COc1c(C)cnc(CN(C)Cc2cc(C)on2)c1C	160967644	QKRGNCRZRNVHGH-UHFFFAOYSA-N	275.352	2.635	70	20	CFID	
C[C@@H](CN[C@H](C)c1cnn(C)c1)COCc1ccccc1	161299532	FZBSKHREYHZCCD-LSDHHAIUSA-N	287.407	2.924	70	20	CFID	
C[C@@H](CC(=O)N(C)Cc1nccs1)c1ccncc1	160970935	WFGOJIFEDFLXKD-NSHDSACASA-N	275.377	2.690	70	20	CFID	
CCCc1noc(CS[C@H](C)C(=O)OC(C)(C)C)n1	161319056	RHWOYTAWJJMENI-SECBINFHSA-N	286.397	2.986	70	20	CFID	
COc1ccc(CNC(=O)N2[C@@H](C)CC[C@H]2C)cc1	161424932	GMGKUSLYDOLHLW-TXEJJXNPSA-N	262.353	2.778	70	20	CFID	
Cc1ccsc1CCCC(=O)NCCC(=O)OC(C)C	160078412	ZJOWYKVNDBMHQL-UHFFFAOYSA-N	297.420	2.837	70	20	CFID	
CCCC1(CNC(=O)NCCCCOC)CCC1	160379951	TTZKDEJXLWUXSH-UHFFFAOYSA-N	256.390	2.683	70	20	CFID	
COc1ccc(C(=O)NC[C@H]2CCCN2CC(C)C)cc1	160488412	FMMUPJKYTSTKSB-OAHLLOKOSA-N	290.407	2.545	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)c1ccccc1F	160582082	LHJFDMAVMNTIGH-RYUDHWBXSA-N	295.354	2.777	70	20	CFID	
CCCC1(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1	160621082	IFWIEJIOPGAHDA-CYBMUJFWSA-N	286.375	2.809	70	20	CFID	
CCN(C(=O)NCCOCc1cccc(OC)c1)C(C)C	160624875	GDFYYRYTCYTOGD-UHFFFAOYSA-N	294.395	2.652	70	20	CFID	
Cc1n[nH]cc1CN(C)Cc1ccc(OC(F)F)cc1	160632930	PGILNPJVPNVGEO-UHFFFAOYSA-N	281.306	2.952	70	20	CFID	
CCOCCC1(C(=O)NC2CCN(C(C)C)CC2)CCC1	160689451	BGNWVZCLQNHYSZ-UHFFFAOYSA-N	296.455	2.572	70	20	CFID	
CC(C)CSCCCNC(=O)CCOC(C)C	160746004	CTCLNKYTWSTEDY-UHFFFAOYSA-N	261.431	2.697	70	20	CFID	
Cc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1C	159416598	BOTUONHPWPNJNG-UHFFFAOYSA-N	286.375	2.645	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(F)cc1F	159774805	MARNWBBSOQSNEW-UHFFFAOYSA-N	251.276	2.885	70	20	CFID	
CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCCO1	159981583	VIOAQQCWNOVXNR-ZDUSSCGKSA-N	282.771	2.914	70	20	CFID	
CCN(CCCO)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F	160501502	WJWGAOANLHFJRT-WDEREUQCSA-N	281.318	2.586	70	20	CFID	
O=C(Cl)c1cc(S(=O)(=O)Cl)ccc1Cl	113736700	ZJIVZMRMIPSRBK-UHFFFAOYSA-N	273.524	2.647	70	20	CFID	
CCCCCNC(=O)[C@H](C)N(CC)Cc1ccccn1	161057784	XTJNADAHXRQYET-AWEZNQCLSA-N	277.412	2.598	70	20	CFID	
O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)F)c1	460089365	FFCBNVRRIXIFCT-UHFFFAOYSA-N	299.348	2.588	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H](C)c1ccc2c(c1)OCCO2	160109196	ZTXNDKMHTPNASA-KBPBESRZSA-N	292.423	2.839	70	20	CFID	
COCCC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	160207923	GWUJRTDXRNQYTH-QGZVFWFLSA-N	284.359	2.632	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)C	160228626	MMVCXXRRUPRANX-NWDGAFQWSA-N	257.374	2.517	70	20	CFID	
CC[C@H](COC)NC[C@@H](C1CCCCC1)N(C)C	160418471	AESASXQHYYRRCG-CABCVRRESA-N	256.434	2.512	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1	160422032	NLIHUSYDWTVSRB-LLVKDONJSA-N	284.787	2.783	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1cccc(Cl)c1	160818846	WVVBINKDMMNLIU-LLVKDONJSA-N	297.782	2.731	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@H](C)c2nc(C)cs2)CCO1	160973783	IOENBCWLDBKXRC-VXGBXAGGSA-N	297.424	2.723	70	20	CFID	
Clc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1	159649268	XNIGWSPBNSIARK-UBHSHLNASA-N	278.783	2.782	70	20	CFID	
CC(C)c1nc(S(=O)(=O)N2CC[C@@H](C)C[C@@H](C)C2)c[nH]1	159677899	RJGUVAPQUSGLIP-VXGBXAGGSA-N	299.440	2.590	70	20	CFID	
CN(C)c1nccc(N[C@@H]2CCCc3cc(N)ccc32)n1	159484376	NOVVAYXEPQNYBS-CQSZACIVSA-N	283.379	2.614	70	20	CFID	
Cc1ncccc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159493909	UKWLQELRXRNNTF-ZDUSSCGKSA-N	274.364	2.612	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)NC1(C(N)=O)CCCCC1	159907221	UFAMVWXYDHCIBS-CYBMUJFWSA-N	294.439	2.897	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1C	159714122	XYNQNCWHSBBBKJ-SMDDNHRTSA-N	294.399	2.681	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccccc1OC	159719392	BHYDNZUHSOAENB-BBRMVZONSA-N	261.365	2.790	70	20	CFID	
Nc1nnc(SCc2ccc(Cl)cn2)n1C1CC1	159531699	PUINCNMHPJYEBP-UHFFFAOYSA-N	281.772	2.536	70	20	CFID	
COC[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)C1CC1	159778499	SQYHLKYIOZBVBV-AWEZNQCLSA-N	273.336	2.714	70	20	CFID	
COc1ccc(OC)c([C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c1	216904633	CKXMXCIWYKFKLX-DVOMOZLQSA-N	293.407	2.715	70	20	CFID	
O=C(c1cccc(-n2ccnn2)c1)N1CCCCCCC1	161291031	SNLLFDXNWCPSBL-UHFFFAOYSA-N	284.363	2.674	70	20	CFID	
COc1ccc(C(=O)N2[C@@H](C)CC[C@H]2C)cc1F	161443478	XNESVTHLZDSDNE-AOOOYVTPSA-N	251.301	2.847	70	20	CFID	
CCO[C@@H](C)c1nccn1Cc1csc(C)n1	161453067	XJILYJPXBKHEKU-VIFPVBQESA-N	251.355	2.794	70	20	CFID	
Cc1cccc(O[C@@H](C)C(=O)NCCc2cccc(O)c2)c1	160175884	QVPHBTNGEFVWMV-AWEZNQCLSA-N	299.370	2.827	70	20	CFID	
COc1cccc(CCC(=O)NCC2(C3CC3)CC2)c1	160199915	HQSKMXVWGGJLHG-UHFFFAOYSA-N	273.376	2.934	70	20	CFID	
O=S(=O)(NCC1(C2CC2)CC1)c1ccccc1Cl	160201121	WWMCRRPJKMPRKN-UHFFFAOYSA-N	285.796	2.809	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)C1CC1	160205102	BYIKVNDSNNVXNH-YGRLFVJLSA-N	259.349	2.845	70	20	CFID	
CC(C)(C(=O)NOCc1cccnc1)c1ccccc1	160813815	WHJBXPLRUXNYLG-UHFFFAOYSA-N	270.332	2.607	70	20	CFID	
C[C@H](CCC1CCCCC1)NC(=O)[C@@H]1CSCN1	160913555	FWWGWSUTEURFMA-YPMHNXCESA-N	270.442	2.514	70	20	CFID	
CCCOC(=O)[C@H](C)Nc1ccccc1O[C@@H]1CCOC1	159917133	KRNLRGMRUFMMOJ-QWHCGFSZSA-N	293.363	2.608	70	20	CFID	
O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCCCO1	159726378	YPWOLELTWHQNHE-LBPRGKRZSA-N	289.360	2.713	70	20	CFID	
C[C@@H](CN[C@H](C)c1cnn(C)c1)N1CCc2ccccc21	159920978	OZFNHOQQWRUWDT-UONOGXRCSA-N	284.407	2.522	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@H](CC)COC)c1	159934721	WVMDTZBYGYQSLC-CQSZACIVSA-N	278.396	2.940	70	20	CFID	
Cc1nccc(NC(=O)N(C)C[C@H]2CCOC2)c1Cl	159750862	XDEDXRFGUPNYOE-SNVBAGLBSA-N	283.759	2.544	70	20	CFID	
Cc1cc(NC(=O)C[C@H](C)CC(C)C)c[nH]c1=O	159792657	OYQRTRLYFFCLCG-SNVBAGLBSA-N	250.342	2.694	70	20	CFID	
FC(F)(F)OCCNCc1cccc2cccnc12	159426322	OVOVTQBZCJZETG-UHFFFAOYSA-N	270.254	2.861	70	20	CFID	
CCCn1c(CNC[C@H](O)CC(C)C)nc2ccccc21	218250763	QLYZDMHFKCFCAH-CQSZACIVSA-N	289.423	2.943	70	20	CFID	
CCCN(CCO)Cc1cc(OC)ccc1OC(F)F	161214535	QXQSYXZQXOUIAO-UHFFFAOYSA-N	289.322	2.501	70	20	CFID	
Cc1sc2ncn(Cc3nccs3)c(=O)c2c1C	161123793	GSMYMFAIIWHLLE-UHFFFAOYSA-N	277.374	2.580	70	20	CFID	
CCc1ncc(NC(=O)N(CC)C[C@@H](C)CC)cn1	161139497	FQYQQMSQCRPMTP-NSHDSACASA-N	264.373	2.939	70	20	CFID	
CCC[C@H](C)CC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2	161360410	LTCCZWMUXRZTRM-ICIURTGMSA-N	252.402	2.554	70	20	CFID	
CC1(O)CCN(C(=O)c2cc3ccccc3cc2O)CC1	161381403	HJACFVPYRFOPQF-UHFFFAOYSA-N	285.343	2.532	70	20	CFID	
C[C@@H]1CCN(C(=O)[C@@H](C)C2CCOCC2)C[C@@H](C)C1	161463994	IQBFWRZXCHRTSU-RDBSUJKOSA-N	267.413	2.944	70	20	CFID	
Cc1ncc(C(=O)N[C@H]2CCCc3sccc32)c(C)n1	160012409	QNZSQSBRCPUONP-ZDUSSCGKSA-N	287.388	2.962	70	20	CFID	
CC(C)[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	160038333	UXZYNTMMELYVCG-LLVKDONJSA-N	291.395	2.616	70	20	CFID	
Cc1cc(NC[C@@](C)(O)c2ccccc2Cl)ncn1	160150848	DTMNPENWYIJIEJ-CQSZACIVSA-N	277.755	2.758	70	20	CFID	
COc1cc(C)cc(CNC(=O)NC[C@@H]2CCCS2)c1	160174050	IYDNZBUQKCZZCZ-AWEZNQCLSA-N	294.420	2.698	70	20	CFID	
COCCC1(CNC(=O)N[C@H](C)CC2CC2)CCC1	160406812	AVYXEWCMACIJPR-GFCCVEGCSA-N	268.401	2.681	70	20	CFID	
CCOCCC1(C(=O)N2CCC(C)CC2)CCC1	160624965	FNMDQTACZCDLSM-UHFFFAOYSA-N	253.386	2.842	70	20	CFID	
CC1(C)CCC[C@H]1NC(=O)NCc1ncccc1F	159465837	UVPOBESPJJLMDA-GFCCVEGCSA-N	265.332	2.599	70	20	CFID	
CCO[C@H]1C[C@@H](NC(=O)CCCn2cccc2)C12CCC2	159680512	QFLDBAUWBUHZFS-CABCVRRESA-N	290.407	2.732	70	20	CFID	
CCCCCOc1ccc([C@@H](C)NCCO)cc1	159712453	OOXJVJQWQKESFG-CYBMUJFWSA-N	251.370	2.899	70	20	CFID	
O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCCN1	159712415	NUCKGCZHXGUACW-XHSDSOJGSA-N	272.392	2.581	70	20	CFID	
COc1cc(OC)nc(NCc2ccc(F)c(Cl)c2)n1	159786198	PAGCAEOHWJKMLQ-UHFFFAOYSA-N	297.717	2.898	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cccc(C)c1	159721130	MSZHATMEJBQXQB-UHFFFAOYSA-N	264.369	2.915	70	20	CFID	
CCN(CCCO)C(=O)CCSc1ccc(C)cc1	160538205	YGGCLGCIZBZWKM-UHFFFAOYSA-N	281.421	2.708	70	20	CFID	
COc1cc(F)c(C(=O)N2CCCCCC2)cc1OC	161108803	VRZQPYSGLNDJQU-UHFFFAOYSA-N	281.327	2.859	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cnn(C)c1	161320308	QLHJCGOEFANFLN-WDEREUQCSA-N	261.350	2.532	70	20	CFID	
C[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C[C@@H](C)C1	161462537	BUJHDZUGHRNFOH-KGLIPLIRSA-N	298.390	2.776	70	20	CFID	
C[C@H](C(=O)NCCCOC[C@@H]1CCCO1)c1cccs1	160037732	RLPUHFNFKPXHMO-STQMWFEESA-N	297.420	2.554	70	20	CFID	
CC(C)C[C@H]1CCCN1C(=O)NCCCC(=O)OC(C)C	160124143	KFWMXYWXNSHHKC-CQSZACIVSA-N	298.427	2.938	70	20	CFID	
CC(C)N(C)C(=O)[C@H](C)Sc1nncc2ccccc12	160227394	BBXSEEHTSBLRBW-NSHDSACASA-N	289.404	2.977	70	20	CFID	
COC[C@H](NC[C@@H](C1CCCCC1)N(C)C)C1CC1	160425997	GPHQPJHSMCMTJM-HOTGVXAUSA-N	268.445	2.512	70	20	CFID	
Cc1ccc(C)c(OCCCCC(=O)NC[C@@H](C)CO)c1	160486208	ZCHNWNQIUCZETO-CQSZACIVSA-N	293.407	2.597	70	20	CFID	
O=C(C[C@@H]1CCCCO1)N[C@H]1CCOC2(CCCCC2)C1	160744003	SQCJMUNREQZVCA-GJZGRUSLSA-N	295.423	2.944	70	20	CFID	
CCN1CCC[C@H](NCc2cccc3cc[nH]c23)C1	218128040	KNIMOQBQIASDNQ-HNNXBMFYSA-N	257.381	2.742	70	20	CFID	
COc1cc(NCc2ccc(CO)cc2)ccc1F	160282273	RCLQJAQVMYJNAM-UHFFFAOYSA-N	261.296	2.939	70	20	CFID	
O=C([C@H]1CCCCO1)N(Cc1ccccc1)C1CC1	160707507	GANJWIYGWHDGRA-OAHLLOKOSA-N	259.349	2.747	70	20	CFID	
CC1(C)C[C@H](NC(=S)NC2CCCCC2)CCO1	159589878	VLPMGQYJRMEXCH-GFCCVEGCSA-N	270.442	2.741	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)Cc1csnn1	161163055	VJIMYRXOUGPZKV-UHFFFAOYSA-N	283.784	2.702	70	20	CFID	
O=S(=O)(Cl)Cc1cc(C(F)(F)F)ccc1F	97950239	JTLDVCYTPJRJCN-UHFFFAOYSA-N	276.638	2.913	70	20	CFID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H](C)CCOC)C1	161022353	ILDMLWFCFJSSPS-LSDHHAIUSA-N	270.461	2.902	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)NC[C@@H]1CCOC1	161105054	IMKYSSFCVNYEDI-STQMWFEESA-N	253.386	2.746	70	20	CFID	
O=C(NC[C@H]1CCOC1)c1occc1-c1ccc(F)cc1	161110542	LSUDZRNSAGLVMR-LLVKDONJSA-N	289.306	2.852	70	20	CFID	
COc1ccc(CN(C(=O)c2cc(C)ncn2)C2CC2)cc1	161277862	GGDFGXJQIIOFDV-UHFFFAOYSA-N	297.358	2.598	70	20	CFID	
Cc1ccc(CCNC2CCC3(CC2)OCCO3)cc1	161502678	HYUVEMWPEMWWDW-UHFFFAOYSA-N	275.392	2.813	70	20	CFID	
CCc1ncsc1C(=O)N(C)c1ccc2c(c1)OCO2	160265373	ORDAUDQBOLFDNC-UHFFFAOYSA-N	290.344	2.711	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)[C@@H]3CC=CCC3)[nH]2)o1	160399431	OKGOUYOEVBFTJW-SNVBAGLBSA-N	272.308	2.668	70	20	CFID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC1	160977047	RAHPWYLRXSDMDN-GOEBONIOSA-N	295.471	2.937	70	20	CFID	
Cn1cnc2cc(C(=O)N3CCCc4ccccc43)cnc21	159633590	RXGWZVXQROGUIU-UHFFFAOYSA-N	292.342	2.561	70	20	CFID	
CC[C@H](COC)NC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C	159857052	URVNBDALMXAQTQ-WUHRBBMRSA-N	256.390	2.535	70	20	CFID	
Cc1nccc(NC(=O)N(C)CC2CCOCC2)c1Cl	159859023	ZKBPOAJPJUVXHN-UHFFFAOYSA-N	297.786	2.934	70	20	CFID	
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccccn1	159541348	CWZLBQHNRDGNDL-UHFFFAOYSA-N	278.743	2.844	70	20	CFID	
CC1(C)CCC(CC(=O)N2CCC[C@H](CC(N)=O)C2)CC1	159955938	PELUSNCZHFLEAP-CQSZACIVSA-N	294.439	2.707	70	20	CFID	
CC(C)N1CC[C@H](CNCc2cccc3c2NCCC3)C1	159389509	UCDMUSGBKCWFAS-OAHLLOKOSA-N	287.451	2.865	70	20	CFID	
CN1CCN(C(=O)C2=CCCC2)[C@H](c2ccccc2)C1	159785398	HNWIYLJZXRJNDY-INIZCTEOSA-N	270.376	2.612	70	20	CFID	
C[C@H](Nc1ccc(C(F)(F)F)nn1)C1CCOCC1	218070947	QPDWCWDNQVJAAL-QMMMGPOBSA-N	275.274	2.722	70	20	CFID	
CCSCC[C@@H](C)NC(=O)[C@H]1CNCc2ccccc21	160208847	WDXYFKKIUWLOSN-DOMZBBRYSA-N	292.448	2.521	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc(Cl)ccc1O	160594360	ZVCCUWVXEBJAJL-UHFFFAOYSA-N	278.739	2.656	70	20	CFID	
Cc1ccc(C)c(SCC(=O)N[C@@H]2CCC[C@@H](N)C2)c1	161418823	QVFCZCKYWXKUTL-ZIAGYGMSSA-N	292.448	2.782	70	20	CFID	
C[C@@H](N(C)C(=O)c1ccc(S(=O)(=O)F)cc1)C1(C)CC1	864242822	RYYABIOXPIHDAO-SNVBAGLBSA-N	299.367	2.605	70	20	CFID	
O=S(=O)(Cl)C[C@@H](F)c1cc(F)ccc1F	1537959129	XNYSCTZNLJLACS-MRVPVSSYSA-N	258.648	2.544	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@H](C)OC[C@@H]1C	161133786	GTKDOQQWEDYUDV-RVMXOQNASA-N	279.405	2.796	70	20	CFID	
COC[C@@H](NC(=O)C[C@@H](C)c1ccncc1)c1ccco1	161213489	BAFQFBRLKGEQQU-TZMCWYRMSA-N	288.347	2.672	70	20	CFID	
Cc1cc2cc(NC(=O)N3CCC[C@](C)(O)C3)ccc2[nH]1	161320079	JRPPPQUVZMDKJO-INIZCTEOSA-N	287.363	2.855	70	20	CFID	
Cc1ccc(C(=O)NC2CC2)cc1NCC1CCOCC1	160240134	LTZCUVGENZBGJR-UHFFFAOYSA-N	288.391	2.726	70	20	CFID	
C[C@@H](NCCOc1cccc(Cl)c1)c1cnccn1	160253207	VWJFDULFBTTYBZ-LLVKDONJSA-N	277.755	2.860	70	20	CFID	
CC/C=C(/C)C(=O)NCc1cccnc1OCC(F)F	160465936	PVAZMOSBXMDUNS-YHYXMXQVSA-N	284.306	2.698	70	20	CFID	
CSc1ccc(C(=O)N(C)Cc2cccn2C)o1	160488634	VNPSEBQYHIOIOM-UHFFFAOYSA-N	264.350	2.612	70	20	CFID	
O=C(NCC1(C2CC2)CC1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160589295	WXIJKMNRPDDQCB-HRCADAONSA-N	282.387	2.814	70	20	CFID	
C[C@@H]1CCC[C@H](CNC(=O)CNC(=O)CC2CCCC2)C1	160981598	AOCLKJIQNQFLBX-HIFRSBDPSA-N	294.439	2.625	70	20	CFID	
CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F	159436578	VKGLFPZOSJTHKG-GHMZBOCLSA-N	284.350	2.871	70	20	CFID	
CC(C)c1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)n[nH]1	159448742	AFKJBBOOKVMHGP-LBPRGKRZSA-N	291.395	2.755	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@@H](N)CC(C)C)cc1	159655583	RYIRGXQOUSHHCB-ZFWWWQNUSA-N	262.397	2.588	70	20	CFID	
C[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCC1	159674039	ZNTJNOMACSFRDK-LLVKDONJSA-N	289.379	2.699	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CCCCO1	159879353	HURFTXQIICANRQ-CQSZACIVSA-N	297.782	2.746	70	20	CFID	
Cc1ccc(CNC(=O)C(C)(C)F)c(O[C@@H]2CCOC2)c1	159920541	MIFPNFXZXMKNGF-CYBMUJFWSA-N	295.354	2.527	70	20	CFID	
COc1cc(NC(=O)N(C)[C@H]2CCSC2)cc(OC)c1	159394567	HGYCZSDYWIKFBP-NSHDSACASA-N	296.392	2.673	70	20	CFID	
C[C@@H](CO)CSCc1noc(C2CCCCC2)n1	159836370	KHEQUWODQKCVLL-JTQLQIEISA-N	270.398	2.979	70	20	CFID	
CN(C)C1(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CCCC1	160687613	SEODJEKYBDVQNG-ZNMIVQPWSA-N	280.456	2.654	70	20	CFID	
CCCN(CC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1	161112209	JZQMSZHNTYAJTN-OAHLLOKOSA-N	287.469	2.856	70	20	CFID	
Cc1ccc(S(=O)(=O)Cl)cc1OC(F)F	108304563	BIACZIDOPCZUQZ-UHFFFAOYSA-N	256.657	2.524	70	20	CFID	
C[C@](CO)(NCCCN1CCCCC1)C1CCCCC1	161213937	PGBKWIODFKSKBH-QGZVFWFLSA-N	282.472	2.783	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)c2ccc[nH]2)o1	161286228	SXJROTFWODQEDH-CYBMUJFWSA-N	274.320	2.731	70	20	CFID	
CCN(CC)[C@@H](C)CNC(=O)c1ccc(C(C)C)nc1	161426213	VJCBRHFQYLSDJF-ZDUSSCGKSA-N	277.412	2.665	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1csc([C@H]2CCCO2)n1	161476419	JASRAIUDVBGZKQ-GFCCVEGCSA-N	292.404	2.915	70	20	CFID	
CC(C)CONC(=O)Nc1cnn(Cc2ccccc2)c1	160483902	NAUITWIKZLXBLG-UHFFFAOYSA-N	288.351	2.641	70	20	CFID	
CCOCCC1(C(=O)NCc2ccc(OC)cc2)CCC1	160597825	LXFCXTONXMUIKT-UHFFFAOYSA-N	291.391	2.908	70	20	CFID	
Cc1nc(CNC(=O)C[C@@H](C)c2ccncc2)sc1C	160852096	YJLOJPLMZFIXLN-SNVBAGLBSA-N	289.404	2.965	70	20	CFID	
CCC[C@](C)(O)C(=O)NCc1csc(-c2ccco2)n1	159440485	XIRMEPHIPCOQIS-AWEZNQCLSA-N	294.376	2.570	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)nc1	159921082	HUWPTAFDOQGHNK-GFCCVEGCSA-N	294.782	2.957	70	20	CFID	
C[C@@]1(NC(=O)Nc2ccc(F)cc2Cl)CCOC1	159374850	OTSHOWYWXZRRAA-GFCCVEGCSA-N	272.707	2.780	70	20	CFID	
CC[C@H]1CCN(C(=O)C[C@@H]2CNc3ccccc32)C1	159625543	MAFSFZCBMOJINR-QWHCGFSZSA-N	258.365	2.844	70	20	CFID	
C[C@]1(C(=O)Nc2nc(-c3ccco3)cs2)CCCNC1	161353091	GLCVVGRVIHUECO-AWEZNQCLSA-N	291.376	2.731	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1C[C@@H]2CCCC[C@H]2C1	160046041	UHHBMBXFNWJJND-KBPBESRZSA-N	296.411	2.550	70	20	CFID	
O=C(N[C@@H](c1ccccc1)c1ccncc1)[C@@H]1CCCCO1	160115723	VVCWWVXTPQCHOL-IRXDYDNUSA-N	296.370	2.856	70	20	CFID	
CNC(=O)c1ccc(CNc2ccc(F)c(OC)c2)cc1	160123465	JERHUWGJYQEZJP-UHFFFAOYSA-N	288.322	2.806	70	20	CFID	
C[C@@H](O)CCN(C)C(=O)c1occc1-c1ccc(F)cc1	160131726	NJKDLWVUFQIBON-LLVKDONJSA-N	291.322	2.929	70	20	CFID	
C[C@@H](CC(=O)N(C)c1ccc2c(c1)OCO2)c1ccncc1	160211948	ICJRRPMKZUPJKT-LBPRGKRZSA-N	298.342	2.967	70	20	CFID	
C[C@@H](NCCN1CCC(N(C)C)CC1)c1cccc(F)c1	160259042	UDPITPOKJIJRKU-CQSZACIVSA-N	293.430	2.502	70	20	CFID	
CC[C@H](NC(=O)c1cc[nH]c1C)c1c(C)noc1C	160267964	COHGJZBFDUTOAI-LBPRGKRZSA-N	261.325	2.809	70	20	CFID	
CCC[C@H](O)CNC(=O)COc1cc(C)c(Cl)c(C)c1	160412312	LURWTHBKYNJRCN-LBPRGKRZSA-N	299.798	2.613	70	20	CFID	
CC1(NC(=O)NCc2ccc3c(c2)OCCCO3)CCC1	160619328	BZJYMVGJKWJIMA-UHFFFAOYSA-N	290.363	2.590	70	20	CFID	
CC[C@@]1(C)CCCN(C(=O)c2cnc3c(c2)ncn3C)C1	160650205	YDYHZLPFWLOXRB-INIZCTEOSA-N	286.379	2.621	70	20	CFID	
Cc1nn(C)c(C)c1C(=O)NCCCSCC(C)C	160715567	WSVSGPOZLPQDTQ-UHFFFAOYSA-N	283.441	2.546	70	20	CFID	
CC(C)CSCCCNC(=O)CC[C@H]1CCCO1	160758167	JFLKXXUHSCUZPI-CYBMUJFWSA-N	273.442	2.841	70	20	CFID	
Cn1cnnc1CN1CCC[C@H]1c1ccccc1Cl	160817261	OULIVONPLAUHRW-ZDUSSCGKSA-N	276.771	2.806	70	20	CFID	
COCC(C)(C)C(=O)NCCCSCC(C)C	160846505	MRJJGUIPGNXFEC-UHFFFAOYSA-N	261.431	2.555	70	20	CFID	
CCCCc1nnc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)s1	159609994	GRGPXOFXDKOINP-ONGXEEELSA-N	295.408	2.825	70	20	CFID	
Cc1cccc([C@H]2CCCN2CCCc2cnn(C)c2)n1	159819658	MUQKIQGEBIGENZ-QGZVFWFLSA-N	284.407	2.893	70	20	CFID	
Cc1cccn2c(=O)cc(CN3CC[C@@H]4CCCC[C@@H]43)nc12	159632345	SAZFQHIMADAMAM-HOCLYGCPSA-N	297.402	2.767	70	20	CFID	
COc1ccccc1C(=O)N(C)CCOCc1ccccc1	159475511	MGFWFDFZJWXCSY-UHFFFAOYSA-N	299.370	2.984	70	20	CFID	
Cc1nccc(NC(=O)NC[C@]2(C)CCCO2)c1Cl	159926079	DETBSMQDEZDFLB-ZDUSSCGKSA-N	283.759	2.734	70	20	CFID	
Cc1ccc(-c2nnc([C@H](C)N(C)C[C@@H](C)O)o2)cc1C	159541103	PFHSBWNTYXITJD-OLZOCXBDSA-N	289.379	2.727	70	20	CFID	
O=C(/C=C/C1CCOCC1)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	159940502	DXWWQFCYXFVFTA-XUKFBXHZSA-N	297.398	2.671	70	20	CFID	
C[C@H](NC[C@](C)(O)c1ccsc1)c1cncs1	159959267	GJSJPTUFXCHILP-CABZTGNLSA-N	268.407	2.763	70	20	CFID	
C[C@@H](c1ccc(Br)cc1)N(C)C[C@@H](C)O	159566342	PUGCNAXEQFMZFH-ZJUUUORDSA-N	272.186	2.823	70	20	CFID	
CC(C)[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	159966215	SUNYYNJHLGCSFA-DOTOQJQBSA-N	290.407	2.940	70	20	CFID	
O=C(c1ccccc1O)N1CCOC2(CCCCCC2)C1	159388412	MOWWXRHVSRRWIE-UHFFFAOYSA-N	289.375	2.958	70	20	CFID	
COc1cccc([C@H](O)CN[C@@H](C)c2ccco2)c1	160783711	DUZDQQYBPNTQDK-SMDDNHRTSA-N	261.321	2.672	70	20	CFID	
C[C@@H](CO[C@@H]1CCC[C@@H](C)C1)CS(=O)(=O)Cl	227076653	TVBAECUVURECRR-OUAUKWLOSA-N	268.806	2.786	70	20	CFID	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCCNC2)C1	161047279	TZOXYRDHWCTASB-XNRPHZJLSA-N	290.382	2.735	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)Cn1nc(C)cc1C	161052361	LKACUSMZCXAHBT-LSDHHAIUSA-N	277.412	2.927	70	20	CFID	
CC(C)Cc1ccc(CCC(=O)NC[C@H]2CCOC2)cc1	161107774	NWAJGUUCVCIHHM-QGZVFWFLSA-N	289.419	2.970	70	20	CFID	
O=C(Nc1cnn(-c2ccccc2)c1)NC1CC=CC1	161161759	AXJIXFKENWIJKY-UHFFFAOYSA-N	268.320	2.712	70	20	CFID	
CCN1CCCC[C@H]1CN[C@@H](C)c1cncs1	161173697	WGAISUPGXRXSGC-RYUDHWBXSA-N	253.415	2.668	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1cnn(C)c1	161314387	PYYXFXVNUHFIBO-OLZOCXBDSA-N	289.404	2.552	70	20	CFID	
CC[C@@H](Cc1ccccc1)N(CC)C(=O)C[C@@H]1CCCN1	161436747	ZKLBCSDNXTVLGI-IRXDYDNUSA-N	288.435	2.998	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](C)CC1	160098122	KARRYMRACWWWNI-CYBMUJFWSA-N	284.400	2.550	70	20	CFID	
C[C@@H]1CC(NC(=O)NCC2(C3CC3)CCC2)C[C@@H](C)O1	160202119	NEDNYGCYXRQXRO-VXGBXAGGSA-N	280.412	2.822	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1cccnc1	160647573	OWRGJSCUWJWDJB-KGLIPLIRSA-N	286.400	2.914	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@H](C)OC1CCCCCC1	160792196	HFNBGXSTIVIGLJ-KBPBESRZSA-N	285.428	2.638	70	20	CFID	
CCOc1ccc(Cl)cc1[C@H](C)NCC(=O)NC(C)C	160935585	YLVWMUAELWDACN-NSHDSACASA-N	298.814	2.914	70	20	CFID	
C[C@H](NC(=O)Nc1ccc(-n2cccn2)nc1)C1CCC1	160936038	GQFXZHVNPFSHQD-NSHDSACASA-N	285.351	2.577	70	20	CFID	
C[C@@H]1CC[C@H](CC(=O)N2CCC(NCC3CC3)CC2)C1	159826627	RTFZOLJOBDJJTO-HIFRSBDPSA-N	278.440	2.803	70	20	CFID	
O=C(Cc1ccc(O)cc1)N[C@@H]1CCOC2(CCCC2)C1	159831964	UDYIUXDLVPKAAF-CQSZACIVSA-N	289.375	2.543	70	20	CFID	
COCC(C)(C)C(=O)Nc1ccn(CCC(C)C)n1	159695778	WFMGZBZAMFEWST-UHFFFAOYSA-N	267.373	2.540	70	20	CFID	
CC[C@@H]1CCC[C@@H](NC(=O)N2CCCN(CC)CC2)C1	159894628	WEJCGXJPTVUPAK-HUUCEWRRSA-N	281.444	2.692	70	20	CFID	
CCCCN(C)CCNC(=O)[C@H](C)Cc1ccccc1F	159951536	PFAQKNLXKKNLSB-CQSZACIVSA-N	294.414	2.852	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)cc1	159380845	RUTLTASGOGBTLL-UKRRQHHQSA-N	283.375	2.631	70	20	CFID	
O=S(=O)(Cl)CCc1cccc(Br)c1	103595363	PXNBANXMHMPBAV-UHFFFAOYSA-N	283.574	2.560	70	20	CFID	
COc1ccccc1CNC(=O)NCc1cccc(F)c1	217313945	XQEWWHNCGKMPCF-UHFFFAOYSA-N	288.322	2.834	70	20	CFID	
CCOC(=O)C(C)(C)C(=O)N[C@H]1CCCc2sccc21	160271722	DMAZZBBYHODVRP-NSHDSACASA-N	295.404	2.831	70	20	CFID	
CC1(C)C(=O)NCCN1Cc1cc(Cl)ccc1Cl	160494780	DCRJKOZIFPCGDH-UHFFFAOYSA-N	287.190	2.704	70	20	CFID	
COCCCC(=O)N[C@@H]1CCCc2sccc21	159900095	OYMGFHUNILOLMV-LLVKDONJSA-N	253.367	2.668	70	20	CFID	
C[C@@H](NC(=O)[C@@H]1CCCNC1)c1ccc(F)cc1Cl	161152511	HWBOWIXSEYYDKB-NXEZZACHSA-N	284.762	2.656	70	20	CFID	
C[C@@H](C(=O)NCCCOC[C@H]1CCCO1)c1cccs1	160038066	RLPUHFNFKPXHMO-CHWSQXEVSA-N	297.420	2.554	70	20	CFID	
CN1CC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1	160101333	UAENLXUOGYQNPS-KBPBESRZSA-N	266.429	2.661	70	20	CFID	
CC1(C)CCC(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1	160144690	QLOFLBOJCYMFMN-OAHLLOKOSA-N	278.440	2.803	70	20	CFID	
CCc1nnsc1C(=O)N[C@H](CC)c1c(C)noc1C	160225062	LEFGANAGJAJCAH-SECBINFHSA-N	294.380	2.586	70	20	CFID	
CC(C)NCCC(=O)N1CCc2c(Cl)cccc21	160586711	FRXWSYATSCKLAI-UHFFFAOYSA-N	266.772	2.617	70	20	CFID	
COc1ccc(F)c(NC(=O)N2CCCCC2)c1	160692876	VMHAICAFROQUSV-UHFFFAOYSA-N	252.289	2.852	70	20	CFID	
CC(C)OC1CCC(NC(=O)Nc2cccnc2)CC1	160817724	IFUCBQJRJSDPFI-UHFFFAOYSA-N	277.368	2.939	70	20	CFID	
COc1ccc([C@H](CCC(C)C)NCCO)cc1	159677796	VUURSZBHQFPDEO-HNNXBMFYSA-N	251.370	2.754	70	20	CFID	
CCCC1(CNC(=O)NCc2ccnc(OC)c2)CCC1	159880582	ZOFCBDOCVPVQJF-UHFFFAOYSA-N	291.395	2.860	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCCOCC(F)(F)F)C1	159726923	OCSNNYLNYZFEBU-ZJUUUORDSA-N	267.291	2.508	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2cccs2)[nH]n1	159940314	XTGMHTJNTCHYDX-UHFFFAOYSA-N	285.394	2.615	70	20	CFID	
C[C@@H](NCc1ccc(Cl)cc1F)c1nnc2n1CCC2	160761975	YFDZJQVQUIOSCF-SECBINFHSA-N	294.761	2.868	70	20	CFID	
CCCCN(C(=O)c1ccc(S(=O)(=O)F)cc1)C1CC1	865204971	CLCVIFHMTHBKQB-UHFFFAOYSA-N	299.367	2.750	70	20	CFID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H](C)COC)C1	161024923	SGFPJSQDVXETPB-KBPBESRZSA-N	256.434	2.512	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1Cc1ccc(CC)o1	161259181	AZIUEVOQDRUDLS-AWEZNQCLSA-N	265.353	2.760	70	20	CFID	
CS[C@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161493039	YVPMKAHRMOHPII-SECBINFHSA-N	279.365	2.977	70	20	CFID	
C[C@@H](Oc1cccc(F)c1)C(=O)NCC1(C2CC2)CC1	160054432	VWATZMYNTGOVFL-LLVKDONJSA-N	277.339	2.899	70	20	CFID	
C[C@@]1(CNC(=O)NCC2(C3CC3)CC2)CCCS1	160281745	HYDKYFFSHOLBDR-ZDUSSCGKSA-N	268.426	2.762	70	20	CFID	
O=S(=O)(CCC1CC1)Nc1nccc2sccc12	160906818	HKJZXCNCKUJGNT-UHFFFAOYSA-N	282.390	2.838	70	20	CFID	
CC(C)c1ccc(CCCNC(=O)[C@@H]2CSCN2)cc1	159607067	IIZDZHWXXVCEJP-HNNXBMFYSA-N	292.448	2.521	70	20	CFID	
CCC[C@@](C)(O)C(=O)Nc1cnc(Cl)cc1C	159615655	FNAGGGXJPDKZTK-GFCCVEGCSA-N	256.733	2.533	70	20	CFID	
Cc1ccc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)n1C	159439025	XARYFJHUSZLHFD-WBMJQRKESA-N	286.375	2.576	70	20	CFID	
C[S@](=O)c1cccc(NC(=O)CCCn2cccc2)c1	159486701	XYHUCJHZYFRNDI-HXUWFJFHSA-N	290.388	2.644	70	20	CFID	
CC(C)CC(=O)NCCOc1ccccc1Cl	159531817	CQEACCGEKZDKFM-UHFFFAOYSA-N	255.745	2.881	70	20	CFID	
C[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccccc1	218460968	HKPUMDHSXFAMIP-HIFRSBDPSA-N	281.421	2.629	70	20	CFID	
CC1(C)C[C@H](Nc2ncnc3c2CCCC3)CCO1	160651406	UBVMOVIIHLQDMD-LLVKDONJSA-N	261.369	2.725	70	20	CFID	
CC[C@H](NCCN(C)CCOC)C1CCCCC1	159422540	IEYFTOVXXRSUSZ-HNNXBMFYSA-N	256.434	2.513	70	20	CFID	
Cc1cccc([C@@H](C)NCCCNC(=O)C(C)C)c1	159979589	QNDCESWFJDIUII-CQSZACIVSA-N	262.397	2.808	70	20	CFID	
C[C@H]1CCC(C)(C)N1C(=O)c1cccc(S(=O)(=O)F)c1	1338067560	IGEUHJQRVBJNCS-JTQLQIEISA-N	299.367	2.748	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C)nn1C	161224261	XFMVLGGSXXVAGI-STQMWFEESA-N	263.385	2.769	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@@H]1c1ccccc1	161389296	ODPFQTNNCCBJAN-CABCVRRESA-N	259.349	2.919	70	20	CFID	
CCCOc1ncccc1CNC(=O)NC1(C)CCC1	160036406	NVOVQVZYVPDQEF-UHFFFAOYSA-N	277.368	2.612	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N(C)Cc2cc(C)on2)on1	160194961	UBYQRLOKROYJKF-SECBINFHSA-N	277.324	2.757	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCOCc1ccccc1	160384411	OEWFYYIJUHEMSF-UHFFFAOYSA-N	286.375	2.590	70	20	CFID	
CC(C)CC1(CNC(=O)CCNC(C)C)CCC1	160671703	QGMDCNMCEJCPPW-UHFFFAOYSA-N	254.418	2.707	70	20	CFID	
CCc1sc(C(=O)NOCc2cccnc2)cc1C	160827351	VMCYOTUVIIUWKI-UHFFFAOYSA-N	276.361	2.876	70	20	CFID	
COc1cccc2cc(C(=O)N[C@@H](CO)CC(C)C)oc12	160873222	UFDWNVUZKFNGDH-GFCCVEGCSA-N	291.347	2.578	70	20	CFID	
CCCCCNC(=O)Nc1ccn(CC(F)(F)F)n1	160854140	PCKQMKSIOKMNAG-UHFFFAOYSA-N	278.278	2.757	70	20	CFID	
C[C@H](C1CC1)N(Cc1ccccc1)Cc1cnnn1C	159671900	RENPIQBNCDAOCT-CYBMUJFWSA-N	270.380	2.616	70	20	CFID	
Cc1ccccc1[C@@H](C)NCC(=O)N(C)CC(F)(F)F	159679053	STDZZSFGXSGXHG-LLVKDONJSA-N	288.313	2.666	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CCc1nnc(C(C)C)o1	159703523	UQHBYEHAAIRVAP-NWDGAFQWSA-N	279.384	2.821	70	20	CFID	
COC(=O)CCCSc1nc(C(C)(C)C)ns1	159929523	HUAYEBBKNBBJEJ-UHFFFAOYSA-N	274.411	2.881	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2ccccc2)[nH]n1	159940165	GYMHFRUEMMJJJM-UHFFFAOYSA-N	279.365	2.553	70	20	CFID	
Cc1ccc(CNC(=O)[C@H]2CCC(=O)C[C@H]2C)c(C)c1	159778651	ZJIBQRVLCCRRGR-CJNGLKHVSA-N	273.376	2.925	70	20	CFID	
CN(C(=O)c1cc2c(s1)CCCCC2)[C@H](CN)C1CC1	159871399	QUUCNGVLYCVJLV-CYBMUJFWSA-N	292.448	2.826	70	20	CFID	
CC1(C)CC[C@H](COC(=O)c2ccc(N)cc2F)O1	160786344	LUNURFHQVNIIFB-SNVBAGLBSA-N	267.300	2.522	70	20	CFID	
CCc1ccc([C@@H](C)C(=O)N[C@@H](CO)CC(C)C)cc1	161161229	NXODAWQVDCECMK-CZUORRHYSA-N	277.408	2.876	70	20	CFID	
CC[C@H](C(=O)N1CCO[C@H](C)[C@@H]1C)c1ccc(F)cc1	161184435	XAELQXYSLCMYSC-ZOWXZIJZSA-N	279.355	2.955	70	20	CFID	
CCn1cc([C@H](C)NCc2ccc(OC(C)C)nc2)cn1	160035969	VPKLIPCLHWVSNY-ZDUSSCGKSA-N	288.395	2.936	70	20	CFID	
O=C(COCCc1ccccc1)NCC1(C2CC2)CC1	160105942	DJUAQFOYSLQKFI-UHFFFAOYSA-N	273.376	2.552	70	20	CFID	
CCC[C@H](N)C(=O)NCCOc1cccc(C(C)(C)C)c1	160108219	XEJGPRJMIZIONH-HNNXBMFYSA-N	292.423	2.607	70	20	CFID	
C1C[C@@H](Nc2nnc(C3CC3)s2)C[C@H](C2CC2)O1	160352854	HVUCOCLQIGISJA-GHMZBOCLSA-N	265.382	2.785	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC1	160462035	FVMQNVHXCABFJX-HUUCEWRRSA-N	258.365	2.813	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)CC)cc1	160522191	VDQQFFJTZZLBML-HIFRSBDPSA-N	295.404	2.855	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)OC1CCCCCC1	160533628	DUNJZBRRFNIKOJ-STQMWFEESA-N	299.411	2.572	70	20	CFID	
CC[C@H](C)c1cc(C(=O)Nc2c(C)n[nH]c2C)on1	160798707	VTMFSWZKZAJOCZ-ZETCQYMHSA-N	262.313	2.780	70	20	CFID	
CC1(C)CCCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1	160876332	WBRGPCZZMJLYSS-CQSZACIVSA-N	293.455	2.835	70	20	CFID	
CN(Cc1cccn1C)C(=O)CCc1ccc(F)cc1	160945248	WFQDDTMJQROBKI-UHFFFAOYSA-N	274.339	2.755	70	20	CFID	
CCOCCC1(CNC(=O)[C@@H]2CCCCN2CC)CCC1	159614356	GSNLAWXOGWPXQA-HNNXBMFYSA-N	296.455	2.574	70	20	CFID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)CC(F)(F)F	159637838	MZWNVTYDWATTCH-UHFFFAOYSA-N	294.361	2.765	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CCCc1nc(C2CC2)no1	159835649	KITVNCAWICOQQR-AAEUAGOBSA-N	291.395	2.965	70	20	CFID	
Cc1cccc(C)c1NC(=O)NCCCNC(=O)C(C)C	159487940	QFFIVSJYIIMRKJ-UHFFFAOYSA-N	291.395	2.587	70	20	CFID	
C[C@H](NC[C@@](C)(O)c1ccsc1)c1cncs1	159959528	GJSJPTUFXCHILP-JOYOIKCWSA-N	268.407	2.763	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1ccc2[nH]ccc2c1	217758680	VTGQUZOXVYCYPS-CYBMUJFWSA-N	259.397	2.988	70	20	CFID	
CC(C)OCc1ccc(C(=O)N2CCC(C)(O)CC2)cc1	161247697	DKNLWGCPMDYFMN-UHFFFAOYSA-N	291.391	2.599	70	20	CFID	
CCc1ccc([C@H](C)NCCN2CCC(N(C)C)CC2)o1	160295384	YQXHPZONDVYZIK-AWEZNQCLSA-N	293.455	2.519	70	20	CFID	
Cc1cc(NC(=O)c2csc([C@H]3CCCO3)n2)no1	160344486	MGDFDOBVQVAMLM-SECBINFHSA-N	279.321	2.543	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)C[C@@H](C)SC)c(C)c1	160488072	DJLQVINURFKQKH-LLVKDONJSA-N	294.420	2.825	70	20	CFID	
Cc1nc(N)sc1-c1nc([C@@H]2CCCS2)no1	160588515	IAEICHCCSPIQGZ-LURJTMIESA-N	268.367	2.652	70	20	CFID	
O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)c1ccc2[nH]cnc2c1	160611582	OIQKKPGRDZBFKY-KBRIMQKVSA-N	289.338	2.631	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCCc1ccc(-n2cccn2)cc1	160805625	WVZFSEZCLKYDOQ-FUHWJXTLSA-N	297.402	2.967	70	20	CFID	
CCCCn1ncc(NC(=O)N(CC)CC)c1C	159825518	OSAWJZPDZONCJW-UHFFFAOYSA-N	252.362	2.865	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)NC(=O)c1cccs1	159778151	LZIXWRQCYBZXLW-IJLUTSLNSA-N	294.420	2.561	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)NCc2nc(C)cs2)on1	159783600	IHIGPIJVYMIDAV-MRVPVSSYSA-N	279.365	2.883	70	20	CFID	
Cc1ccc(CSCC(=O)N2CCC(C)(O)CC2)cc1	161260336	SLDAIEMAPQMNEB-UHFFFAOYSA-N	293.432	2.602	70	20	CFID	
COc1ccccc1CN1C(=O)CC2(CCCCC2)C1=O	217786516	WSXMJXLOABDNOV-UHFFFAOYSA-N	287.359	2.905	70	20	CFID	
O=C(NCCC1CCCCC1)N1CCCC[C@H]1CCO	217305253	LPCVCFAFKLFCCF-HNNXBMFYSA-N	282.428	2.903	70	20	CFID	
C[C@@H](CCC1CC1)NC(=O)c1ccc(S(=O)(=O)F)cc1	864241258	PIHJEOZCYCHWEL-JTQLQIEISA-N	299.367	2.653	70	20	CFID	
C[C@H](NCC12CC3CC(CC(C3)C1)C2)c1nncn1C	216824502	BMDXFFPPHPSLQO-IKMFHRHGSA-N	274.412	2.682	70	20	CFID	
CCCCOC(=O)c1ccc(NC(=O)C(F)F)cc1	217617403	ZQTGOPPBGKOGGK-UHFFFAOYSA-N	271.263	2.847	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(C)=O	160035890	VKZPCOXBBDSSBM-YOEHRIQHSA-N	286.375	2.970	70	20	CFID	
COc1ccc(O)c(NC(=O)C[C@H](C)c2ccncc2)c1	160706351	RTTXNYPQPBLSCX-NSHDSACASA-N	286.331	2.928	70	20	CFID	
O=C(CCC1CCCCC1)NOCc1cccnc1	160792003	TVGNKNOVCIJDGX-UHFFFAOYSA-N	262.353	2.990	70	20	CFID	
CCN(CC)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1	160824429	LHSXUSYXTYTXBS-GDBMZVCRSA-N	289.423	2.518	70	20	CFID	
COCc1ccccc1NC(=O)N(C)[C@@H]1CCSC1	160825540	ACSSNYRGDBSDTD-GFCCVEGCSA-N	280.393	2.802	70	20	CFID	
CCCc1cc(N(CCC)CC2CC2)n2ncnc2n1	160892377	PQNYDERKHPNERV-UHFFFAOYSA-N	273.384	2.703	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCCc1ccc2c(c1)OCCO2	159446156	BGDMSNRQPPKVJJ-SUMWQHHRSA-N	289.375	2.553	70	20	CFID	
CCC[C@H]1CN(C(=O)NCc2ccc(C)s2)CCO1	159862619	VAIKTUVZVZEOBR-LBPRGKRZSA-N	282.409	2.767	70	20	CFID	
Cc1ccccc1CCCSCCN1CCOCC1	159886084	MOCPAOPECGOSKW-UHFFFAOYSA-N	279.449	2.993	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCC2(N)CCCCC2)C1	159654698	MYOMAXNKNHGKHH-QWHCGFSZSA-N	252.402	2.591	70	20	CFID	
Cc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cs1	864243799	WURNWHMOYWUTMU-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864244513	ZJFSYHGJVRYMAO-DGCLKSJQSA-N	299.367	2.509	70	20	CFID	
CC(=O)NC1CCC(Nc2cccc(CN(C)C)c2)CC1	161092509	CKDQGIZITQLFAR-UHFFFAOYSA-N	289.423	2.607	70	20	CFID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@H]1CCOC1	161108534	SVYZTDYCXYMZSR-SNVBAGLBSA-N	292.766	2.896	70	20	CFID	
CNC(=O)c1ccc(OC)c(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1	160275100	FLYXPXLCVGHQOR-DYEKYZERSA-N	286.375	2.679	70	20	CFID	
COc1cccc(CCCN2CC[C@H](N3CCCC3)C2)c1	160335264	SZCWQRRPUQRDAW-KRWDZBQOSA-N	288.435	2.798	70	20	CFID	
Cc1ccc(CNc2cnccn2)c(OC[C@@H]2CCCO2)c1	160492175	OYHBZWVKZIUJOY-HNNXBMFYSA-N	299.374	2.955	70	20	CFID	
CC(C)Cc1ccc(CCC(=O)NCc2cnn(C)c2)cc1	160696063	HEAFDUKSUZOEKX-UHFFFAOYSA-N	299.418	2.868	70	20	CFID	
CC[C@H](NC(=O)C[C@H]1CCCCO1)c1c(C)noc1C	160722916	OYOFPEWRHBDULV-OLZOCXBDSA-N	280.368	2.818	70	20	CFID	
CCCCOCC(=O)NCCc1csc(C(C)(C)C)n1	160766178	LZBRJRRVRYIIPL-UHFFFAOYSA-N	298.452	2.916	70	20	CFID	
CC(C)Oc1ccccc1NC(=O)N[C@@]1(C)CCOC1	160974952	XECNWHDHVJWUJE-HNNXBMFYSA-N	278.352	2.774	70	20	CFID	
CCOc1cccc(CNC(=O)C[C@@H](C)SC)c1	159610323	GFEVKPAXTUIXKC-LLVKDONJSA-N	267.394	2.843	70	20	CFID	
CC(C)c1ccc(C(=O)OC[C@@H]2CCCCO2)cn1	159619461	HRPKQPZFFODWLW-ZDUSSCGKSA-N	263.337	2.931	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)CCCc1nc(C2CC2)no1	159835802	KITVNCAWICOQQR-DGCLKSJQSA-N	291.395	2.965	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](C)[C@@H]2CCOC2)c1C	159866404	RKXQHYFMSLJYQC-DGCLKSJQSA-N	294.399	2.538	70	20	CFID	
C[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1cccnc1	159472978	SFZHJRWSYNKSTM-DZGCQCFKSA-N	288.391	2.793	70	20	CFID	
CC(C)OC1CCC(NC(=O)C2=CCCC2)CC1	159567580	IFZYADPMIXXZTL-UHFFFAOYSA-N	251.370	2.949	70	20	CFID	
CCCc1ccc(OCCS(=O)(=O)Cl)cc1	104883511	UGIPQBSJBWYOGG-UHFFFAOYSA-N	262.758	2.587	70	20	CFID	
CCCOc1cccc(CN(C)[C@H](CN)C2CC2)c1	159676639	QUXYVBCETBYRJB-MRXNPFEDSA-N	262.397	2.645	70	20	CFID	
CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](CN)C1CC1	159776145	RYTRJPOHVVJBNV-LCGIIJARSA-N	278.440	2.789	70	20	CFID	
COc1ccc2c(c1)[C@@H](N[C@H](C)[C@@H]1CCCO1)CCO2	217966613	LPEBRBWGYRPVPL-UGFHNGPFSA-N	277.364	2.676	70	20	CFID	
CCOc1ccc(CNCCN(C)[C@H](C)CC)cc1OC	217385268	BUECILNWKWZRKQ-CQSZACIVSA-N	294.439	2.914	70	20	CFID	
Cc1ccc(Cl)c2c1CCCN2CCS(=O)(=O)F	883954673	VZQQUBSNFDLPNC-UHFFFAOYSA-N	291.775	2.700	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161147133	SWTBTFGYFDXUIR-XQQFMLRXSA-N	280.412	2.822	70	20	CFID	
C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160502583	RZCWAPVSSBTWJD-BXUZGUMPSA-N	299.378	2.792	70	20	CFID	
C[C@H](CC(=O)NCc1cnn(C)c1)c1ccc(F)cc1F	160694711	FZRMJLYWCYYKTM-SNVBAGLBSA-N	293.317	2.508	70	20	CFID	
CN1C(=O)CCc2cc(C(=O)NC[C@@H]3CC=CCC3)ccc21	160708418	AMSQEHKSPCXDGV-CYBMUJFWSA-N	298.386	2.682	70	20	CFID	
O=C(CC1CCOCC1)N1CCc2c(F)cccc2C1	160930224	ITUHUAVILUBVHE-UHFFFAOYSA-N	277.339	2.527	70	20	CFID	
CSc1cc(C(=O)NC[C@H](C2CC2)N(C)C)ccc1F	159463428	UDMPWOUFGKKFIU-CYBMUJFWSA-N	296.411	2.618	70	20	CFID	
O=C(CCc1ccncc1)NCCc1cc2ccccc2[nH]1	159664017	UJQJSHWXOIPQEV-UHFFFAOYSA-N	293.370	2.854	70	20	CFID	
CCOCCCC(=O)N[C@H]1CCc2c(OC)cccc21	159954284	IKGUDNKCHWMQAS-AWEZNQCLSA-N	277.364	2.615	70	20	CFID	
Cc1ccc2cc(C(=O)Nc3c[nH]c(=O)c(C)c3)ccc2n1	159392978	KWHZTFPLAQAIMD-UHFFFAOYSA-N	293.326	2.792	70	20	CFID	
COC[C@@H](Nc1nc(C(C)(C)C)ns1)C1CC1	160057440	PIVTWJFLWIDIHK-SECBINFHSA-N	255.387	2.673	70	20	CFID	
CCCCCCNC(=O)c1ccc(S(=O)(=O)F)cc1	865205989	PPXHHDIBJWOPQS-UHFFFAOYSA-N	287.356	2.655	70	20	CFID	
COc1ccc(C)cc1NCc1nnc2n1CCCC2	217317588	HVFYKYIKBQODSE-UHFFFAOYSA-N	272.352	2.544	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	161018882	CQWFZMGHKMRFCM-CVEARBPZSA-N	286.419	2.786	70	20	CFID	
CC(C)N(CCSCc1cc(=O)c(O)co1)C(C)C	161066798	RXDWWWOTJYGVGS-UHFFFAOYSA-N	285.409	2.697	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)NCc1ccccc1	161130493	RSVKPQGRPBCRMW-HNNXBMFYSA-N	297.402	2.608	70	20	CFID	
CCONC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C	161202170	CMOASYBHZCFHGL-LBPRGKRZSA-N	276.340	2.511	70	20	CFID	
CCCN(C)C(=O)NCc1cccc(OCCCOC)c1	161244378	FDVGAJOWYULMKF-UHFFFAOYSA-N	294.395	2.653	70	20	CFID	
COCC(C)(C)c1nc(-c2ccc(F)c(F)c2)no1	161471846	OMEVGWZLMXENPU-UHFFFAOYSA-N	268.263	2.939	70	20	CFID	
CCCCNC(=O)CSCc1c(CC)noc1C	160034426	OCCHTFAQYZSGLD-UHFFFAOYSA-N	270.398	2.695	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160242630	JVXFIOOZBOXQFA-IAQYHMDHSA-N	261.321	2.814	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCCc3sccc32)ncn1	160420646	KWXPSRWGKKNUHK-NSHDSACASA-N	273.361	2.654	70	20	CFID	
Cc1cccc([C@@H](C)NCC(=O)NCC(F)(F)F)c1C	160536352	KQEBZLZFXUCZBL-LLVKDONJSA-N	288.313	2.633	70	20	CFID	
COc1cc(C(=O)NC2CCC(C)CC2)cc(OC)c1O	160914707	SGVPXOGARQMELB-UHFFFAOYSA-N	293.363	2.718	70	20	CFID	
CCN1CCCN(C(=O)NCCCC2CCCC2)CC1	159646368	QMPIMAYQYLYUFQ-UHFFFAOYSA-N	281.444	2.694	70	20	CFID	
CCO[C@@H]1C[C@H](NC(=O)c2ccc(N)cc2)C12CCCC2	159551777	QLCQBHFVWAWDFK-LSDHHAIUSA-N	288.391	2.736	70	20	CFID	
CCC(C)(CC)C(=O)NCc1cccc(N(C)C)n1	159380893	DPQUNTHMPDLBCO-UHFFFAOYSA-N	263.385	2.590	70	20	CFID	
CCC[C@@H](O)CNC(=O)[C@@H](C)Cc1ccccc1Cl	159391804	DZYOBRGFPIRQOS-WCQYABFASA-N	283.799	2.796	70	20	CFID	
NC(=O)CC1CCN(Cc2coc3ccccc23)CC1	159746252	XRCSGBNKVCIQEP-UHFFFAOYSA-N	272.348	2.520	70	20	CFID	
CC(C)[C@H](N)C(=O)N1CCCC2(CCCCC2)C1	159859245	AFPSGWILHLVYDO-ZDUSSCGKSA-N	252.402	2.543	70	20	CFID	
CC(F)(F)CCC(=O)Nc1cccc(S(=O)(=O)F)c1	809281569	PYFKINSJDQWJEZ-UHFFFAOYSA-N	295.282	2.719	70	20	CFID	
CC[C@H]1CCc2ccccc2N1CCS(=O)(=O)F	883954497	PJTWNKGTSHUWCU-LBPRGKRZSA-N	271.357	2.517	70	20	CFID	
CCN(CCCNCC(C)C)C(=O)OC(C)(C)C	218098591	ZAZDKHYMFXEELF-UHFFFAOYSA-N	258.406	2.879	70	20	CFID	
C[C@@H](C(=O)NC1(c2ccc(F)cc2F)CCCC1)N(C)C	161083588	GYICZXOVCMTFMY-NSHDSACASA-N	296.361	2.800	70	20	CFID	
C[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)c1cncc(F)c1	161104616	BSXLURPWKBSSBN-UGFHNGPFSA-N	265.376	2.744	70	20	CFID	
O=C(NCCCn1ccc2ccccc21)[C@@H]1CCCCO1	161142973	VBQBQEZLYOBZTO-INIZCTEOSA-N	286.375	2.717	70	20	CFID	
CCC(CC)(CN)C(=O)NCC(C)(C)c1ccccc1F	161206479	DPQMADUDGPYCCE-UHFFFAOYSA-N	294.414	2.985	70	20	CFID	
CCOCCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C	161471470	SIVOKZJKFQTGTP-MRXNPFEDSA-N	279.380	2.781	70	20	CFID	
CN(C(=O)Cn1nc(C2CC2)nc1C1CC1)c1ccccc1	161472191	OWYTUHJNQSMFFT-UHFFFAOYSA-N	296.374	2.696	70	20	CFID	
CN[C@H]1CCN(C(=O)CCCCc2ccc(C)cc2)C1	160528026	VWAJFRWOXUYYLY-INIZCTEOSA-N	274.408	2.528	70	20	CFID	
CN(C(=O)c1cc(F)cc(F)c1)c1ccc2c(c1)OCO2	160554593	XVACSKAWYNOQPQ-UHFFFAOYSA-N	291.253	2.970	70	20	CFID	
CCN(Cc1nncn1C)[C@@H](C)c1ccc(F)cc1	160807380	JOOCJIVWEJRFNB-NSHDSACASA-N	262.332	2.537	70	20	CFID	
CCC[C@@H](CCO)CNC(=O)Nc1ccnc(C)c1Cl	159643155	MRWZITQYHVZAFH-NSHDSACASA-N	299.802	2.964	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Cl)nc1	159666167	JRPWGJMOKNHPTE-KCJUWKMLSA-N	266.728	2.679	70	20	CFID	
CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccncc1	159904439	GZSGJYIQLZQINA-GHMZBOCLSA-N	252.383	2.867	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NC2CCN(C3CC3)CC2)C1	159370685	YJQQMHMAVRSMOJ-QWHCGFSZSA-N	264.413	2.556	70	20	CFID	
O=C(NCc1cccc(F)c1)c1cccc(-c2ncn[nH]2)c1	159383020	SZSSNPASGSEOJW-UHFFFAOYSA-N	296.305	2.541	70	20	CFID	
NC1(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCCCC1	159478690	WVDXMJIWDHFRPF-LSDHHAIUSA-N	278.440	2.981	70	20	CFID	
CCCN(Cc1ccccc1)C(=O)[C@H]1CCCCO1	159833723	MBUGLDYYEUHVAK-OAHLLOKOSA-N	261.365	2.994	70	20	CFID	
COc1ccc(NS(=O)(=O)c2ccccc2C)c(C)n1	160684576	LVUIIODQBROBSJ-UHFFFAOYSA-N	292.360	2.508	70	20	CFID	
CCOc1ccc(CN(C)[C@H]2CCCC[C@@H]2O)cc1	161074790	GHWDOFKOVXGXIQ-HOTGVXAUSA-N	263.381	2.821	70	20	CFID	
COc1ccccc1NC(=O)NCc1ccc(CO)cc1	217268091	KSFSVPVHWFPUQY-UHFFFAOYSA-N	286.331	2.509	70	20	CFID	
CCC(C)(CC)C(=O)NCC(C)(C)[C@H](O)C(C)C	159443992	MSJXVTJCGYMCIW-GFCCVEGCSA-N	257.418	2.972	70	20	CFID	
O=S(=O)(F)CCN1CCCc2c(Cl)ccc(F)c21	883954774	YYKDZRFHJKGHFU-UHFFFAOYSA-N	295.738	2.531	70	20	CFID	
Cc1nnc(Cn2c(C(F)(F)F)nc3ccccc32)n1C	161022903	AXVYGPNSBYEWOY-UHFFFAOYSA-N	295.268	2.540	70	20	CFID	
O=C(NOCc1cccnc1)N[C@@H](c1ccccc1)C1CC1	161035485	POOCEHFLRXHPNM-INIZCTEOSA-N	297.358	2.964	70	20	CFID	
Cc1ccc(CCCC(=O)N[C@@H](CO)CC(C)C)s1	161111905	TXRXWVSYJCQELN-CYBMUJFWSA-N	283.437	2.902	70	20	CFID	
CC(C)C[C@H](N)C(=O)NC[C@H](C)Oc1ccc(Cl)cc1	161133360	DGHSCGCWALJATG-FZMZJTMJSA-N	298.814	2.597	70	20	CFID	
CC[C@H](N)C(=O)Nc1ccc(COC2CCCC2)cc1	161135507	CWVUZDNRHIYOTM-HNNXBMFYSA-N	276.380	2.822	70	20	CFID	
CC[C@H](C)NC(=O)c1cccc(CN[C@@H](CC)COC)c1	161135949	LIDAHZLXTGUPEB-BBRMVZONSA-N	292.423	2.730	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@H]2C)n1	161239392	KIPBKELJUBDYBE-KOLCDFICSA-N	270.336	2.629	70	20	CFID	
O=C(NC1CC1)c1cccc(OCc2nccs2)c1	161270369	SOWOKBTYKCAJFN-UHFFFAOYSA-N	274.345	2.614	70	20	CFID	
CC(C)(C)CN(CCCO)c1ncnc2c1CCCC2	161294836	CAPNQRVADBTITG-UHFFFAOYSA-N	277.412	2.590	70	20	CFID	
CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161323910	ALLLYJATSPVKBL-LBPRGKRZSA-N	298.427	2.938	70	20	CFID	
CNCC(=O)N1CCCC[C@H]1c1cccc(C)c1C	161337348	XJOOPLMPIQLNLI-HNNXBMFYSA-N	260.381	2.576	70	20	CFID	
CC1(NC(=O)c2cc(F)cc3cccnc23)CCOCC1	160085431	MGSZFXUHTUHGDT-UHFFFAOYSA-N	288.322	2.673	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc3c(c1)CCC3)CC2	160383119	YKLMBOJYXHFYOI-SJCJKPOMSA-N	296.418	2.741	70	20	CFID	
Cc1ccc(C(=O)NC[C@H]2CCCN2CC(C)C)s1	160426311	OFOUGBILPCAKSU-CYBMUJFWSA-N	280.437	2.907	70	20	CFID	
CN(Cc1cccn1C)C(=O)Cc1c[nH]c2cc(F)ccc12	160480954	GVQDVRRCIYSJJH-UHFFFAOYSA-N	299.349	2.847	70	20	CFID	
CC[C@@H](Oc1ccc(NC(=O)OC(C)(C)C)cc1)C(N)=O	159442799	KYGOVJUSEOZFDT-GFCCVEGCSA-N	294.351	2.676	70	20	CFID	
CC(C)(C)[C@H]1CCCN(C(=O)N[C@H]2CCOC2)CC1	159464047	KLTFRFYVGYYPJU-STQMWFEESA-N	268.401	2.633	70	20	CFID	
O=C(NCCc1cscn1)N1CCC[C@@H]1c1ccc[nH]1	159496844	XSEAHZIILVDDII-CYBMUJFWSA-N	290.392	2.560	70	20	CFID	
C[C@@H](NC[C@](C)(O)c1ccsc1)c1cncs1	159959393	GJSJPTUFXCHILP-SKDRFNHKSA-N	268.407	2.763	70	20	CFID	
CC1(O)CCN(Cc2cc(F)cc3cccnc23)CC1	161232089	XKVHHNUJCPXCJT-UHFFFAOYSA-N	274.339	2.721	70	20	CFID	
C[C@H](c1ccncc1)N(C)CCCN1CCCCC1	161460366	JRMFKRBJNDYUTG-OAHLLOKOSA-N	261.413	2.950	70	20	CFID	
CCCN1CCC(N(C)CCCN2CCCCC2)CC1	161401435	JCVLFDNQKWNLAS-UHFFFAOYSA-N	281.488	2.669	70	20	CFID	
O=C(Cl)c1cc(S(=O)(=O)Cl)cc(F)c1Cl	159139955	SJHNLKOYGWGXMG-UHFFFAOYSA-N	291.514	2.786	70	20	CFID	
O[C@@H](CNCc1cccc2cc[nH]c12)c1ccccc1	218067206	XLTRKCZKEKEKEH-INIZCTEOSA-N	266.344	2.991	70	20	CFID	
COC[C@@H](NC(=O)Nc1cccc(OCCF)c1)C1CC1	161008823	YIXRMGWTIOPYFT-CQSZACIVSA-N	296.342	2.581	70	20	CFID	
CC(C)NCCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	161054309	UHJOHTOMBVQBMD-SJORKVTESA-N	288.435	2.902	70	20	CFID	
CCN1CCCC[C@H]1CN[C@@H](C)c1cnn(C(C)C)c1	161206393	CBXYCKBNEAJNNR-HOCLYGCPSA-N	278.444	2.989	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)C(C)C)n1	161280011	RBLHRQCBKHKLIA-UHFFFAOYSA-N	258.325	2.629	70	20	CFID	
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCc2sccc21	160042303	IVMMKRZWUCPAAU-JBLDHEPKSA-N	265.378	2.667	70	20	CFID	
CCOc1ccc([C@H](C)N[C@@H](CCO)CSC)cc1	160403949	GARFCEFOFIUSCH-JSGCOSHPSA-N	283.437	2.850	70	20	CFID	
CC[C@@H](NC1CCN(C2CCCC2)CC1)c1cnn(C)c1	160459876	UTMUXWSJKAETQO-QGZVFWFLSA-N	290.455	2.868	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)N[C@H]2COc3ccccc3C2)C1	160517550	XVXFTOZLBAJCOV-VHDGCEQUSA-N	273.376	2.933	70	20	CFID	
CCO[C@@H](CC)C(=O)NCCc1csc(C(C)(C)C)n1	160614331	MRDSDOHVHCEBCG-LBPRGKRZSA-N	298.452	2.914	70	20	CFID	
COCC(C)(C)C(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@H]12	160728407	QFISGIDGHZFNKU-ILXRZTDVSA-N	273.376	2.504	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@@H]1CCOc2ccccc21	160809257	HEECASGUNPMUAB-OAHLLOKOSA-N	284.359	2.550	70	20	CFID	
O=C(C[C@@H]1C=CCC1)N[C@@H]1CCOC2(CCCC2)C1	159422303	YHCYQRYCUSOWPM-ZIAGYGMSSA-N	263.381	2.951	70	20	CFID	
C[C@@H](Nc1nc(C(C)(C)C)ns1)c1cnn(C)c1	159621043	XOHGLIGFSCTKEX-MRVPVSSYSA-N	265.386	2.742	70	20	CFID	
Cc1ccc(F)c(OCC(=O)OC[C@@H]2CCCCO2)c1	159447561	IIXYGKYYWUVDMS-LBPRGKRZSA-N	282.311	2.625	70	20	CFID	
CCC(CC)N(CC(C)C)C(=O)N[C@@H]1CCOC1	159462567	AHWFDEGHLWPKSD-GFCCVEGCSA-N	256.390	2.632	70	20	CFID	
CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@](C)(O)C1	159669441	DXONZRCCOGVBCW-HIFRSBDPSA-N	270.417	2.758	70	20	CFID	
CCC[C@@H](C)CC(=O)N(C)CC(C)(C)CN1CCOCC1	159898139	GPZGEUOQGYRCMV-OAHLLOKOSA-N	298.471	2.630	70	20	CFID	
CC(C)C(=O)N1CCC(NCc2cc(F)cc(F)c2)CC1	159918154	AVJUDBXMQQJBPN-UHFFFAOYSA-N	296.361	2.701	70	20	CFID	
CC(C)N(CC(F)F)C(=O)c1ccnc(Cl)c1F	159689398	PZZVDXCXDORYKI-UHFFFAOYSA-N	280.677	2.990	70	20	CFID	
CCN(Cc1nc2ccccc2c(=O)[nH]1)CC(C)(C)C	159916322	HLCCAQXREORTOQ-UHFFFAOYSA-N	273.380	2.791	70	20	CFID	
CC(C)[C@@H]1CN(CCS(=O)(=O)F)c2ccccc21	883954511	PVUJHERPOWNVHW-LBPRGKRZSA-N	271.357	2.546	70	20	CFID	
CNC(=O)C(C)(C)CNc1nc(-c2ccccc2)cs1	161079767	SDGHCLMPMUPUMB-UHFFFAOYSA-N	289.404	2.994	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2CCOC(C)(C)C2)n1	161239623	ZCPNABLKRLCDGB-UHFFFAOYSA-N	294.399	2.572	70	20	CFID	
C[C@@H]1OCCN(C(=O)C2CCC(C)(C)CC2)[C@@H]1C	161297836	VNFUTKUSDAISCF-NEPJUHHUSA-N	253.386	2.839	70	20	CFID	
Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCOC2)c1	161343372	DDIQCPBSCINKGO-JTQLQIEISA-N	298.180	2.585	70	20	CFID	
CCN(C[C@@H]1CCCO1)C(=O)c1cccc(C)c1F	161488819	LSRRLAUGYMHXBV-LBPRGKRZSA-N	265.328	2.775	70	20	CFID	
Cc1ccc(C(N)=O)cc1NC[C@H]1C[C@H]2C=C[C@H]1C2	160008025	IABQCSOQTOJTIW-SGMGOOAPSA-N	256.349	2.718	70	20	CFID	
CN(CC1CCOCC1)C(=O)NCC1(C2CC2)CCC1	160202257	IKIAXHOHXMIZCL-UHFFFAOYSA-N	280.412	2.635	70	20	CFID	
Cc1nc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc(C2CC2)n1	160328554	DJHFPJSZORRCHA-NEPJUHHUSA-N	257.337	2.647	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2ccccc2o1	160330883	MUPODMWDMJTQBL-SNVBAGLBSA-N	275.304	2.504	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1	160386193	ICHJYFIEBLWCAO-LLVKDONJSA-N	297.362	2.831	70	20	CFID	
c1ccn2c(OCc3noc(C4CCCCC4)n3)nnc2c1	160642316	CDJDBZWYRJAMIW-UHFFFAOYSA-N	299.334	2.739	70	20	CFID	
CC[C@H](NC(=O)c1scnc1C)c1c(C)noc1C	160694504	VUAMBODNEUJYLQ-JTQLQIEISA-N	279.365	2.937	70	20	CFID	
CC1(C)CC[C@@H](NCCNC(=O)C2CC2)c2ccccc21	160694805	UCCOAGGOXVNMJG-MRXNPFEDSA-N	286.419	2.915	70	20	CFID	
C[C@H]1CN(C(=O)Nc2cccn(C)c2=O)[C@H]1c1ccccc1	160761919	XXQCHRLYKRGMLH-SWLSCSKDSA-N	297.358	2.610	70	20	CFID	
Cc1ccc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)n1C	159439287	XARYFJHUSZLHFD-MLGOLLRUSA-N	286.375	2.576	70	20	CFID	
CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1CCCCO1	159837327	QNSZROOQPJSRGQ-ZDUSSCGKSA-N	299.317	2.816	70	20	CFID	
C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@](C)(O)C1	159667258	BEHJKANPFNRWKS-WMLDXEAASA-N	290.407	2.564	70	20	CFID	
CCCOC(=O)[C@@H](C)Nc1ccccc1O[C@@H]1CCOC1	159917001	KRNLRGMRUFMMOJ-CHWSQXEVSA-N	293.363	2.608	70	20	CFID	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC[C@@H]1CN2CCC[C@@H]2CO1	217748470	MFLVRVAEJZYPKJ-ZKXLYKBJSA-N	294.483	2.900	70	20	CFID	
O=C(C(F)F)N1CCC(Cc2ccccc2)CC1	217605391	YUJVRKWLIRGJPX-UHFFFAOYSA-N	253.292	2.733	70	20	CFID	
Cc1csc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)n1	159780487	UNWAUGAFDSLLFF-MWLCHTKSSA-N	252.383	2.894	70	20	CFID	
CCc1ncnc(NC[C@@H]2Cc3ccccc3O2)c1F	217968165	PQACQAABKKLMRX-NSHDSACASA-N	273.311	2.594	70	20	CFID	
CCCNC(=O)CCC(=O)N[C@H]1CCCc2sccc21	160264780	OFWDKBXMMAIVEE-LBPRGKRZSA-N	294.420	2.548	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1ccccc1	160337787	CIULYHSXBBRJRF-UHFFFAOYSA-N	265.334	2.519	70	20	CFID	
C[C@@H]1C[C@H](NC[C@@H](C2CCCCC2)N(C)C)CCN1C	160391932	DFZNPADUUZNZCQ-OIISXLGYSA-N	281.488	2.569	70	20	CFID	
Cc1cc(NC(=O)C[C@H](C)c2ccncc2)ccn1	160558409	SPQHZLYTIVCREY-NSHDSACASA-N	255.321	2.917	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCS1	160652365	CEQXXGCMKOYKRC-CHWSQXEVSA-N	283.437	2.880	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@](C)(O)C2)cc1	160666198	HWSIVGBUNZNVGR-BBRMVZONSA-N	276.380	2.612	70	20	CFID	
Cc1cccc(C)c1CCNC(=O)N[C@@H](C)[C@H]1CCCO1	159801863	LDBCLBPHXGCFIB-GOEBONIOSA-N	290.407	2.713	70	20	CFID	
O=C1CCCN1CCCN[C@H](Cc1ccccc1)C1CC1	159474606	VRILVCZLCGEBKM-QGZVFWFLSA-N	286.419	2.610	70	20	CFID	
CCc1ccc(CNC(=O)[C@H](O)c2ccccc2)s1	159530944	LAEJKWAPHTUEQK-CQSZACIVSA-N	275.373	2.660	70	20	CFID	
CSc1ccc(NC(=O)Cn2cc(C3CC3)nn2)cc1	159732038	OVAHBDSUUWMCQF-UHFFFAOYSA-N	288.376	2.516	70	20	CFID	
CO[C@]1(C)C[C@H](NC(=O)CCCn2cccc2)C1(C)C	159769926	DDRJMIXACPDMGQ-XJKSGUPXSA-N	278.396	2.588	70	20	CFID	
CC(C)N1CC[C@@H](CNCc2cccc3cc[nH]c23)C1	218162434	LDNHPPBCBCAYFX-AWEZNQCLSA-N	271.408	2.988	70	20	CFID	
CCOc1ccc(N[C@@H](CC)C(=O)OC)cc1OCC	159476521	HXTHIJSBIDVTAR-LBPRGKRZSA-N	281.352	2.848	70	20	CFID	
Nc1ccc2c(c1)CCC[C@@H]2Nc1ncc(F)cn1	159513118	FHQDLFUKOAUBMG-ZDUSSCGKSA-N	258.300	2.687	70	20	CFID	
CC(C)S(=O)(=O)CCCN(Cc1ccccc1)C1CC1	160659331	JJFSQTIAMSLVDF-UHFFFAOYSA-N	295.448	2.864	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2cccn2C)ccc1F	160561504	XYVZZGSWZAILMD-UHFFFAOYSA-N	260.312	2.745	70	20	CFID	
CCC[C@H](C(=O)N1CCC(C(=O)OCC)CC1)C(C)C	161351894	HAFYGQBBDSNWHN-AWEZNQCLSA-N	283.412	2.860	70	20	CFID	
CCC(CC)c1cc(CNC(=O)[C@H](N)CC(C)C)on1	161108466	KUTZSASVAVLJAN-CYBMUJFWSA-N	281.400	2.568	70	20	CFID	
C[C@@H]1Sc2ccccc2N(CCCS(C)(=O)=O)[C@@H]1C	161143410	KFWRGGJZGWDKLG-NEPJUHHUSA-N	299.461	2.810	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2cc3cccc(F)c3o2)C1	161444855	IBEIRQRGUFUODV-QWRGUYRKSA-N	276.311	2.572	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCCc2cn3c(n2)CCCC3)C1	160043377	HCYWOVSXRDYCAJ-ZIAGYGMSSA-N	289.423	2.704	70	20	CFID	
CC(C)CC[C@@H](NC(=O)[C@H]1CCCNC1)C(C)(C)C	160072799	QPLYHBOLTODAFA-UONOGXRCSA-N	268.445	2.953	70	20	CFID	
CCCn1nccc1CNC[C@]1(N(C)C)CCC[C@H](C)C1	160112998	FCZKKDZPKGZXHY-RDJZCZTQSA-N	292.471	2.893	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCN(C)C[C@@H]1c1ccccc1	160120370	UGVZSPHVLLKRMF-JFIYKMOQSA-N	286.419	2.938	70	20	CFID	
COC(=O)c1ccnc(NC(=O)[C@H](C)c2cccs2)c1	160356392	QXZJPPKAUUFNJU-SECBINFHSA-N	290.344	2.672	70	20	CFID	
C[C@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1F	160458058	NIZCEMRQVXCVDT-MCIONIFRSA-N	290.382	2.672	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(N2CCCCC2)cn1	160546629	ATDCOJQYGLBOMZ-CYBMUJFWSA-N	291.395	2.826	70	20	CFID	
CC(C)c1nccc(N(C)CCC2CCOCC2)n1	160555251	TUMNJUDKXMOCRN-UHFFFAOYSA-N	263.385	2.853	70	20	CFID	
CCCN(C)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160813304	ZIRBIBRCOBXRBP-UHFFFAOYSA-N	289.379	2.859	70	20	CFID	
O=C(NC1CC=CC1)c1sccc1-n1cccc1	160945483	CUZMXQAMPAJDRH-UHFFFAOYSA-N	258.346	2.987	70	20	CFID	
Cc1ccc(OC(F)F)c(CNC(=O)C(C)(C)F)c1	159628720	WOMVWMRWBPNMKO-UHFFFAOYSA-N	275.270	2.961	70	20	CFID	
Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCCNC1)C(C)C	159690089	JXDMYDOHMFEQBZ-ZBFHGGJFSA-N	274.408	2.808	70	20	CFID	
CN1CCC[C@H](CN(C)c2nc(C(C)(C)C)ns2)C1	159508516	NAEJDMPQUQRPLH-NSHDSACASA-N	282.457	2.614	70	20	CFID	
CCCCN(C)CCNC(=O)Nc1ccnc(C)c1Cl	159740876	UQVHREJSDNATDC-UHFFFAOYSA-N	298.818	2.897	70	20	CFID	
Cc1cc(Cl)ccc1OCCCS(=O)(=O)Cl	108304070	ZGQSNRQMRMZWOP-UHFFFAOYSA-N	283.176	2.986	70	20	CFID	
c1ccc(CN(CCn2ccnc2)CC2CCOCC2)cc1	159815263	IPLBMJJNKAELCG-UHFFFAOYSA-N	299.418	2.812	70	20	CFID	
CC(C)S(=O)(=O)CCCN1c2ccccc2C[C@@H]1C	160458219	MGALONMIVFGVNI-ZDUSSCGKSA-N	281.421	2.651	70	20	CFID	
c1ccc(N2CCCN(CCOCC3CC3)CC2)cc1	159457805	BOMVYJNNGIPUTH-UHFFFAOYSA-N	274.408	2.625	70	20	CFID	
CCCCCNC(=O)NCCCOc1ccccc1	217299711	NNUNXGYUTIODRJ-UHFFFAOYSA-N	264.369	2.945	70	20	CFID	
Cc1ccc2c(c1)CCCN2CCCS(=O)(=O)C(C)C	160542462	RSABGBNUNZUXSA-UHFFFAOYSA-N	295.448	2.961	70	20	CFID	
Cc1cc(NC[C@@H]2CCC[C@H](C)C2)n2ncnc2n1	217926858	FSMXPMXTTOQLHC-CMPLNLGQSA-N	259.357	2.671	70	20	CFID	
O=c1cccc(Cl)n1Cc1noc(C2CCCCC2)n1	161008812	XEOLEUBVOMSGBU-UHFFFAOYSA-N	293.754	2.981	70	20	CFID	
CCOCCC1(C(=O)N2CCCCCC2)CCC1	161095694	QJKWGVFXMUDDCK-UHFFFAOYSA-N	253.386	2.986	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cccn2C)n1	161142695	OYYGPBBWVXQMOB-UHFFFAOYSA-N	295.346	2.625	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(NC(=O)C2CC2)cc1	160094665	SLHJADYNDPITTC-UHFFFAOYSA-N	298.386	2.955	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H]2C[C@H]2C)c1C	160147222	WPSRJRLZRKCLHR-MWLCHTKSSA-N	250.346	2.522	70	20	CFID	
CC(C)COc1cncc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160333344	CETQLPKKVCUGMJ-UONOGXRCSA-N	291.395	2.881	70	20	CFID	
CC[C@@H](COC)NC[C@@H](CC)Oc1ccccc1F	160334704	WFGJNLSADLUECE-QWHCGFSZSA-N	269.360	2.998	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1cc2ccccn2c1	160649408	VERNLCNFUOIFSX-UHFFFAOYSA-N	267.332	2.550	70	20	CFID	
C[C@@H](NC[C@@H]1CCc2ccccc21)c1cnn(C)c1	160975611	NOLSTCFZUPXMBL-OCCSQVGLSA-N	255.365	2.801	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(C1CC1)C1CC1	159579916	ZVRHWJGUBFAGLP-WFASDCNBSA-N	276.424	2.556	70	20	CFID	
O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1Cl	2332240929	ATEHUTRDHKNWHJ-UHFFFAOYSA-N	283.029	2.824	70	20	CFID	
CCOCCN(C)c1ncc(Cl)cc1Br	159843428	MEWBZVLICVHIFC-UHFFFAOYSA-N	293.592	2.970	70	20	CFID	
CCCC(O)(CCC)CC(=O)NCCc1nccs1	161052784	ZXVFHEWPJHQXPF-UHFFFAOYSA-N	284.425	2.523	70	20	CFID	
CC[C@H](NC(=O)CCNC(C)C)c1ccc(F)cc1F	161208364	XWRHXLVSJJVHDB-AWEZNQCLSA-N	284.350	2.920	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1nc(C)no1	161229217	LFTDUZJALLDTNL-CHWSQXEVSA-N	279.384	2.738	70	20	CFID	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCNC1	161247028	XWJQFLWSUAWEDV-BPLDGKMQSA-N	290.382	2.530	70	20	CFID	
C[C@@H](C(=O)NCc1ccncc1)c1c(F)cccc1F	161342772	CLZYDPAFWXOYST-SNVBAGLBSA-N	276.286	2.780	70	20	CFID	
CC(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	161432731	WKAJGGYZCUSRHJ-LBPRGKRZSA-N	284.400	2.500	70	20	CFID	
CS[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccccc1	161496687	UNJSTOILVHSYGF-AWEZNQCLSA-N	294.464	2.718	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3sccc3C)[nH]2)o1	160185974	ZFFKYKGRBNJWHR-UHFFFAOYSA-N	288.332	2.995	70	20	CFID	
CC(C)COc1cncc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160332952	CETQLPKKVCUGMJ-KGLIPLIRSA-N	291.395	2.881	70	20	CFID	
CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CC1	160568466	XIDIPDNKAAWYAV-UHFFFAOYSA-N	292.427	2.531	70	20	CFID	
CC(C)NCCC(=O)N[C@@H](C)[C@H](C)c1ccccc1	160891406	CJMHDGXFBNNULZ-KBPBESRZSA-N	262.397	2.683	70	20	CFID	
C[C@H](CC(=O)NCCC(F)(F)F)c1ccncc1	160921681	QIJJOTZUFXSHPD-SECBINFHSA-N	260.259	2.644	70	20	CFID	
Cc1ccccc1CNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159614868	QUVGUCXNJWENKX-RDJZCZTQSA-N	286.419	2.876	70	20	CFID	
CC(C)OC1CCC(NC(=O)CC(F)(F)F)CC1	159531060	LKGMGYXEZNDKMZ-UHFFFAOYSA-N	267.291	2.791	70	20	CFID	
CCN(CC)C(=O)NCCCOc1cccc(OC)c1	159576010	HAGJTRNJXFPCBS-UHFFFAOYSA-N	280.368	2.516	70	20	CFID	
CCN(CCCO)C(=O)c1cc2c(s1)CCCCC2	160559845	NXLQSVWBMHDUNQ-UHFFFAOYSA-N	281.421	2.862	70	20	CFID	
COc1cc(C)nc(Cn2ccc(C(F)(F)F)n2)c1	160974055	BYVQCFJKOQIJEW-UHFFFAOYSA-N	271.242	2.662	70	20	CFID	
CCN(C(=O)c1ccc(S(=O)(=O)F)cc1C)C(C)C	1338105600	QADYMDHOYJJNIV-UHFFFAOYSA-N	287.356	2.524	70	20	CFID	
Cc1cc(C(=O)Nc2cnc3ccccc3c2)ncn1	161383624	NLFCCSCMAMKCNF-UHFFFAOYSA-N	264.288	2.586	70	20	CFID	
COc1ccc([C@H](NC(=O)c2cc(C)ncn2)C2CC2)cc1	161463240	KQUQUZDCCNQZRD-MRXNPFEDSA-N	297.358	2.675	70	20	CFID	
C[C@]1(C(=O)Nc2cn[nH]c2)CCCc2ccccc21	160127306	AQIKIRKEXFNZFM-HNNXBMFYSA-N	255.321	2.642	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1ccc(Cl)cc1O	160164669	QRURBHIQLWVABH-UHFFFAOYSA-N	291.734	2.724	70	20	CFID	
Cc1nnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)s1	160214373	BOVKWURUPULDSO-SMDDNHRTSA-N	288.420	2.779	70	20	CFID	
CNC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)c(Cl)c1	160290719	ZOVIPNNZLSLZFW-JTQLQIEISA-N	292.766	2.994	70	20	CFID	
CC[C@H](C)OCC(=O)NCCCc1ccc(OC)cc1	160313461	RGGALDCUMOSWSV-ZDUSSCGKSA-N	279.380	2.559	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1	160505706	LBDDWUHCKWRPIW-HUUCEWRRSA-N	264.413	2.579	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1ccsc1	160541966	PQRZEIIDGCLUJW-CQSZACIVSA-N	280.437	2.527	70	20	CFID	
CN(C)c1ccc(C(=O)N[C@@H]2CCCSC2)c(F)c1	160836601	JYSJFRUTSKNLDY-SNVBAGLBSA-N	282.384	2.517	70	20	CFID	
CC(C)Oc1ncccc1NC(=O)[C@@H](O)c1ccccc1	159845130	APQQRMMLQHFRIY-AWEZNQCLSA-N	286.331	2.541	70	20	CFID	
CNC[C@H](C)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C	159890946	UXLOKTCATZBXHQ-SOUVJXGZSA-N	274.408	2.555	70	20	CFID	
COCC[C@H](C)NC1CCN([C@H](C)c2ccncc2)CC1	159903109	OSJISHVFXFYKFC-LSDHHAIUSA-N	291.439	2.622	70	20	CFID	
CC[C@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	159959910	PEFIJAKMAQNJGL-OIISXLGYSA-N	286.419	2.923	70	20	CFID	
CCNC(=O)c1cccc(NCc2ccc(C)nc2)c1	159564276	VPGFIVWRLYLFCX-UHFFFAOYSA-N	269.348	2.752	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)CC2CCCCCC2)C1	160890507	QQEUOVGZPVHXNS-ZIAGYGMSSA-N	252.402	2.733	70	20	CFID	
O=S(=O)(F)Oc1ccc(Oc2nccs2)cc1	1887577559	UFYUSOQUGMMTHU-UHFFFAOYSA-N	275.282	2.529	70	20	CFID	
CC(C)CCOCCCCCS(=O)(=O)Cl	113155863	MUYNXUVLYNBWFV-UHFFFAOYSA-N	256.795	2.788	70	20	CFID	
CC(C)CSCCCNC(=O)[C@H](C)OCC1CC1	160753069	ZOYZWSSERFXPTH-LBPRGKRZSA-N	273.442	2.697	70	20	CFID	
CCOc1cc(CNCCN(C)[C@@H](C)CC)ccc1O	217880225	PQYWFASAZHGIST-ZDUSSCGKSA-N	280.412	2.611	70	20	CFID	
COc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1N	161022847	GJOPZPWDEKBFMD-WCQYABFASA-N	292.379	2.811	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCn1cccn1	161205273	AVONYMVCZNVRFL-OLZOCXBDSA-N	289.404	2.563	70	20	CFID	
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccncc1	160139992	SFZCELFYMQZIGS-CJNGLKHVSA-N	287.407	2.666	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)C(C)(C)C	160165781	NMYKCBWUSUCNQS-WDEREUQCSA-N	257.374	2.517	70	20	CFID	
O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)N1CCC1	160461790	FVMQNVHXCABFJX-CABCVRRESA-N	258.365	2.813	70	20	CFID	
COc1ccc([C@@H](C)[C@H](C)NCC(C)(C)O)cc1	160629999	GZZHSZHTEZYIFF-RYUDHWBXSA-N	251.370	2.548	70	20	CFID	
Cc1cnc(CNC(=O)C[C@@H](C)c2ccncc2)s1	160732370	MLEUTHKUYBLKEW-SNVBAGLBSA-N	275.377	2.657	70	20	CFID	
CSCCNC(=O)[C@H](C)Cc1cccc(Cl)c1	159458050	YEUURMFJUARCIB-SNVBAGLBSA-N	271.813	2.998	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1	159656352	BSZCNBYJAYNSES-BLLLJJGKSA-N	297.358	2.816	70	20	CFID	
CCOC(=O)[C@@H](CC)SCc1noc(C(C)C)n1	159857535	XLOSHTSYWGMICJ-SECBINFHSA-N	272.370	2.768	70	20	CFID	
COc1ccc(NC(=O)NOCC(C)C)c(C)c1	159907199	ZPWUSVPXHFWCOB-UHFFFAOYSA-N	252.314	2.713	70	20	CFID	
CC[C@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159928456	JSSSGZKJYURNFP-NSHDSACASA-N	291.395	2.712	70	20	CFID	
CN(C)c1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1	159543518	JCBQSAIEOBNGEO-FGTMMUONSA-N	292.382	2.821	70	20	CFID	
CC(C)[C@@H]1CN(C(=O)c2cccc3[nH]cnc23)CCS1	159740478	VNPZYUKYUQASNR-ZDUSSCGKSA-N	289.404	2.777	70	20	CFID	
CC1(C)CCC(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1	160930000	ROMJZJLUMDWANI-ZDUSSCGKSA-N	293.329	2.729	70	20	CFID	
CCCCN(CCCC)C(=O)N[C@H]1CC(=O)N(C(C)C)C1	217288534	MKKCYEMIECNQMO-AWEZNQCLSA-N	297.443	2.608	70	20	CFID	
C[C@@H](c1ccccc1Cl)N(C)Cc1nncn1C	160814849	NWGCNJDFBFDQJS-JTQLQIEISA-N	264.760	2.662	70	20	CFID	
C[C@H](c1ccccc1)N1CCN(c2ccncc2)CC1	161353436	JZYBEMTTZPUUAC-OAHLLOKOSA-N	267.376	2.965	70	20	CFID	
C[C@H]1CCC[C@H](OCCCS(=O)(=O)Cl)C1	112395393	BTCWIMFYCONMET-UWVGGRQHSA-N	254.779	2.540	70	20	CFID	
CC[C@H]1CCCC[C@H]1OCCS(=O)(=O)Cl	112356567	SYLJYMSMNQKNDG-VHSXEESVSA-N	254.779	2.540	70	20	CFID	
CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CC1	857675132	CHAWJNAYLQIAGK-UHFFFAOYSA-N	285.340	2.782	70	20	CFID	
CCN(CCN[C@@H]1CCCc2cccnc21)C1CC1	217482789	BCHYFTQEEKOWSW-OAHLLOKOSA-N	259.397	2.533	70	20	CFID	
CSc1cc(C(=O)NCCc2nccs2)ccc1F	161140390	LSIJSZQKZDVIFF-UHFFFAOYSA-N	296.392	2.977	70	20	CFID	
CCC(CC)(CN)C(=O)N1CC[C@@H](Cc2ccccc2)C1	161179468	PFLHMOCHINUUGQ-INIZCTEOSA-N	288.435	2.843	70	20	CFID	
CCCN(CCO)Cc1cnn(-c2ccc(Cl)cc2)c1	161201203	AMUIJBNQKGLIHV-UHFFFAOYSA-N	293.798	2.730	70	20	CFID	
C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)CC(C)(C)O1	161471789	VQCCFDOMKWUUOP-LLVKDONJSA-N	294.370	2.531	70	20	CFID	
COC[C@H](C)NCCCc1cn(-c2ccccc2)nc1C	160042254	OCPDLHPFTQMKJJ-AWEZNQCLSA-N	287.407	2.738	70	20	CFID	
Cc1ccc(C)c(S(=O)(=O)NCC2(C3CC3)CC2)c1	160137826	ZQOOOQNEKATZRE-UHFFFAOYSA-N	279.405	2.772	70	20	CFID	
CC(C)c1ccc(CCCNC(=O)N[C@@H](C)CCO)cc1	160245509	IMNBMNCHVHGDGW-AWEZNQCLSA-N	292.423	2.813	70	20	CFID	
Cn1ccnc1CN1CCC[C@@H](c2nc3ccccc3o2)C1	160776780	SLNSJBBXACADIH-CYBMUJFWSA-N	296.374	2.941	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2CCCCO2)n(Cc2ccccc2)n1	160842274	OAIRAMNJNLZYQA-HNNXBMFYSA-N	299.374	2.747	70	20	CFID	
O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1CCCCO1	160868970	LYMIEAZGZFAEFI-HOCLYGCPSA-N	273.376	2.792	70	20	CFID	
CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1	160986417	VSWOLMRJPKSNBX-MEBBXXQBSA-N	288.347	2.589	70	20	CFID	
CCC(C)(CC)C(=O)Nc1ccn(CC(F)F)n1	159410894	WLNHJCOPMLPCQZ-UHFFFAOYSA-N	259.300	2.913	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N1CCC[C@](C)(O)C1	159642470	NLSLPPARLNSFGH-HIFRSBDPSA-N	270.417	2.759	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CN(C)C(=O)OC(C)(C)C	159841015	JZSKHBXTGHCRLN-NWDGAFQWSA-N	284.400	2.548	70	20	CFID	
Cc1cccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1O	159545510	ILVTZPJAZMZBFN-HRCADAONSA-N	279.339	2.769	70	20	CFID	
O=C(NCc1cccc(F)c1)N1CCC2(CCC2)C1	159945716	ZCZRCYAGJSCHOJ-UHFFFAOYSA-N	262.328	2.911	70	20	CFID	
C[C@@H](NC(=O)[C@H]1CCCCO1)c1ccc(F)cc1F	159974245	XDNBERMKGCZURW-NOZJJQNGSA-N	269.291	2.711	70	20	CFID	
CCN1CCC(NCc2cccc3c2NCCC3)CC1	159387910	UFIYLFZYWTXNPH-UHFFFAOYSA-N	273.424	2.619	70	20	CFID	
NC[C@H](c1ccccc1)c1nc([C@@H]2CCCS2)no1	160599113	IOLOXROWFOJQME-NEPJUHHUSA-N	275.377	2.728	70	20	CFID	
Fc1cc(Cl)ccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2	160863962	OHOSFVWULHOQGA-RTXFEEFZSA-N	255.720	2.889	70	20	CFID	
Cc1ccc(CCC(=O)N2CCC(C)(O)CC2)cc1Cl	161281177	KDGJTPIPZOCDIP-UHFFFAOYSA-N	295.810	2.954	70	20	CFID	
Cc1cscc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460096189	WNCXEGZDLFIIDF-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
Cc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1S(=O)(=O)F	857675113	BMUWZPGQTPRYAA-NSHDSACASA-N	297.351	2.782	70	20	CFID	
CC(C)NCCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1	161054437	UHJOHTOMBVQBMD-DLBZAZTESA-N	288.435	2.902	70	20	CFID	
Cc1nccc(NC[C@H]2CCCN(CC(C)C)C2)n1	161296284	GXRSNLWUPORWPC-CQSZACIVSA-N	262.401	2.565	70	20	CFID	
CCOC(=O)COc1ccc(OCc2nccs2)cc1	161378836	KOEJPGYWNUZJGQ-UHFFFAOYSA-N	293.344	2.664	70	20	CFID	
CCCNC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1	161384732	PNNFYOVYAVVGSP-SJORKVTESA-N	286.419	2.781	70	20	CFID	
O=C1[C@@H](N2Cc3ccccc3C2)CCCN1CC(F)(F)F	160024061	PRPRKSNNQFOZAC-ZDUSSCGKSA-N	298.308	2.556	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCOC[C@@H]2CC)c1C	160095220	ZYNNRBMBKMINQO-ZDUSSCGKSA-N	294.399	2.634	70	20	CFID	
CC[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)N(C)C	160097544	ABBFACKOQWJTPW-STQMWFEESA-N	296.411	2.819	70	20	CFID	
O=C(Cc1ccccc1O)N[C@@H]1CCOC2(CCCC2)C1	160179076	GQSBGOVGQOGWRE-CQSZACIVSA-N	289.375	2.543	70	20	CFID	
NC(=O)[C@H]1CCCCC[C@H]1Nc1nc2cc(F)ccc2o1	160732326	INZSSJINPKQZSE-WDEREUQCSA-N	291.326	2.813	70	20	CFID	
O=C([C@H]1CCCCO1)N(Cc1cccs1)C1CC1	160898924	FHWRHVWLHQZMLA-CYBMUJFWSA-N	265.378	2.808	70	20	CFID	
CC(C)C[C@H](C)OCCC(=O)N(C)Cc1cccn1C	160916171	ASLLFGZIQNRCCH-AWEZNQCLSA-N	280.412	2.825	70	20	CFID	
COC[C@@H](C)SCc1ccc(C(=O)OC)s1	159818566	UKKJVMQMEUDLQF-MRVPVSSYSA-N	260.380	2.803	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	159640286	JFYDGEHRRFJFMU-GRYCIOLGSA-N	284.400	2.595	70	20	CFID	
CC(C)N1CC[C@H](N[C@H]2CCCc3cc(F)ccc32)C1=O	159543660	XUNMKYKPQAKHTN-HOTGVXAUSA-N	290.382	2.802	70	20	CFID	
COc1ccc2c(c1)C[C@H](N[C@H](C)[C@@H]1CCOC1)CC2	159563803	XUSMWTUEUQXMME-XNRPHZJLSA-N	275.392	2.567	70	20	CFID	
CCc1nc(CN[C@@H](C)c2cc(C)ccc2OC)n[nH]1	160280932	VJBZZYSXISIAED-NSHDSACASA-N	274.368	2.535	70	20	CFID	
COCCOc1ccc(N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1	218068322	KNDIDPRHWPCAQP-JJRVBVJISA-N	292.423	2.852	70	20	CFID	
CCCCc1nnc(NC(=O)c2ccnn2C(C)C)s1	160036730	SMYWJPLZDHEKED-UHFFFAOYSA-N	293.396	2.910	70	20	CFID	
Cn1cnnc1CSc1nc2ccccc2n1C(F)F	161010848	ZVJIORZVZWKQPK-UHFFFAOYSA-N	295.318	2.852	70	20	CFID	
COc1ccc(CNC(=O)c2ccc(Cl)cc2C)cn1	161064312	HDSILQGORFBGLP-UHFFFAOYSA-N	290.750	2.982	70	20	CFID	
COC[C@@H](O)CCNC(=O)[C@H](CC1CCCCC1)C(C)C	161197295	MGQBRXVIUSAVRH-JKSUJKDBSA-N	299.455	2.743	70	20	CFID	
CC(=O)NC1CCC(N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1	161247488	CPJYIPTVLLAMTA-YGDULTCNSA-N	278.440	2.848	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCNC(=O)CC(C)C	161305527	GZOOXHGEGFGJFC-GJZGRUSLSA-N	296.455	2.966	70	20	CFID	
CCC(CC)c1cc(C(=O)NC[C@@H]2CCN(CC)C2)on1	161317725	REUIOAFLRUYHOH-LBPRGKRZSA-N	293.411	2.650	70	20	CFID	
C[C@H](O)CCN(C)C(=O)c1occc1-c1ccc(F)cc1	160131595	NJKDLWVUFQIBON-NSHDSACASA-N	291.322	2.929	70	20	CFID	
CCOCCCCNC(=O)C[C@H](C)c1ccncc1	160139983	CDAMSWSCXVDOHB-ZDUSSCGKSA-N	264.369	2.508	70	20	CFID	
CCc1nc(CN[C@H](c2ccc(OC)cc2)C2CC2)n[nH]1	160540410	CWZIPVYADAHAMG-INIZCTEOSA-N	286.379	2.617	70	20	CFID	
CC(C)CN(CC(C)C)C(=O)N[C@H]1CCN(CC2CC2)C1	160636769	WMUWBVWHCNWJMN-INIZCTEOSA-N	295.471	2.794	70	20	CFID	
CC(C)COc1ccc(NC(=O)NC2CC=CC2)cn1	160753947	RRMRITXWFLTNOG-UHFFFAOYSA-N	275.352	2.957	70	20	CFID	
CN[C@@H]1CCN(C(=O)c2cc(C(C)C)nc3ccccc23)C1	160783770	SLIAJWPFILQZRP-CYBMUJFWSA-N	297.402	2.792	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cnn(CC)c1	160842935	WYCSEVCVEOENML-GXTWGEPZSA-N	263.385	2.944	70	20	CFID	
C[C@H]1CCC[C@@H](OCC(=O)N(C)Cc2cccn2C)C1	160905054	RUMWSNWJBYJDQM-DZGCQCFKSA-N	278.396	2.579	70	20	CFID	
COc1ccc(C(C)(C)C(=O)N[C@@H](C)[C@@H]2CCOC2)cc1	160960971	ORNBVTDSBRQZFX-QWHCGFSZSA-N	291.391	2.514	70	20	CFID	
COCCC1(CNC(=O)N2c3ccccc3C[C@@H]2C)CC1	160977381	FHELIGYVQSQFTN-ZDUSSCGKSA-N	288.391	2.964	70	20	CFID	
Cc1c(NC(=O)[C@]2(F)CCNC2)sc2c1CCCC2	160989090	RMWBSRRWUSNBRL-AWEZNQCLSA-N	282.384	2.575	70	20	CFID	
COc1cc(OC)c(N[C@@H](C)CCn2cccn2)cc1F	159472477	MTQQJWFUUZBWNQ-NSHDSACASA-N	293.342	2.930	70	20	CFID	
COc1cc(C)ccc1OCC(=O)NCC1(C2CC2)CC1	159681161	WPMYHODUICTQJZ-UHFFFAOYSA-N	289.375	2.689	70	20	CFID	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC1(C2CC2)CC1	159942832	TZWRQURTHIKKET-LLVKDONJSA-N	289.423	2.522	70	20	CFID	
C[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1O	159438447	GQQWCNQBVWKMLG-MFKMUULPSA-N	289.297	2.788	70	20	CFID	
C[C@@H]1CCc2sc(C(=O)N[C@@H]3CCC[C@H](N)C3)cc2C1	161148225	UFANSCDNUUDVEP-KGYLQXTDSA-N	292.448	2.873	70	20	CFID	
C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1	218065856	HGOXCGRYVNMLKF-IHRRRGAJSA-N	298.427	2.543	70	20	CFID	
CCCC[C@@H](NC(=O)[C@]1(C)CCCO1)C(=O)OC(C)(C)C	161205716	HRBLRXLTDQZHDV-WBMJQRKESA-N	299.411	2.572	70	20	CFID	
CC[C@@H](NCCOCCO)c1cccc(Cl)c1F	161507697	HHGJSCUGIPNISF-GFCCVEGCSA-N	275.751	2.529	70	20	CFID	
CCOC(=O)Cc1csc(NC(=O)[C@@H]2C[C@]2(C)CC)n1	160406869	OZCBGUHDZNHUSL-HZMBPMFUSA-N	296.392	2.623	70	20	CFID	
CC(C)CN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CC1	160459399	YLAOCAXMUXQUGV-HIFRSBDPSA-N	280.412	2.774	70	20	CFID	
CC1(C)C[C@@H](NCc2cccc(-n3cccn3)c2)CCO1	160533353	DCDZKWFVIYFBSQ-HNNXBMFYSA-N	285.391	2.920	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C(=O)OC)ccc1F	160800701	PXWSIBZHIZNMOX-MEBBXXQBSA-N	279.311	2.987	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)NC[C@H](O)c2ccsc2)[C@@H]1C	160877416	PDXZISTURGEBJR-RFHZTLPTSA-N	296.436	2.905	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1	160881184	MRVSOQHJVXSMDZ-HUUCEWRRSA-N	290.382	2.634	70	20	CFID	
Cc1ccsc1CCCC(=O)NC1CCN(C)CC1	159854328	HHDPVGRNQFODFP-UHFFFAOYSA-N	280.437	2.590	70	20	CFID	
Cc1cccc([C@@H]2CCCN2Cc2noc(C3CC3)n2)n1	159858274	GJJSEWNJPRBHTG-AWEZNQCLSA-N	284.363	2.988	70	20	CFID	
C[C@@H](CCc1cccn1C)NC(=O)c1cccc2[nH]cnc12	159708487	UCJAHOTXXMFKLF-LBPRGKRZSA-N	296.374	2.653	70	20	CFID	
CCN1CCCN(C(=O)N[C@H](C)C2CCCCC2)CC1	159901471	PYBXXKXKSFHQBS-CQSZACIVSA-N	281.444	2.692	70	20	CFID	
COC[C@@H](C)NCc1cccc(-c2ccccn2)c1	159742958	KQOFPSSELALENL-CYBMUJFWSA-N	256.349	2.873	70	20	CFID	
COc1ccc(NC(=O)N(C)CCc2nccs2)cc1	159776067	ZYPVRYALXRCJPE-UHFFFAOYSA-N	291.376	2.858	70	20	CFID	
Nc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCCS1	159362664	FTGWLTZZHQWTKP-KGLIPLIRSA-N	276.405	2.658	70	20	CFID	
CC(C)OCCN1CCO[C@@]2(CCc3ccccc32)C1	159604932	QFNSECCYPRAZAM-KRWDZBQOSA-N	275.392	2.585	70	20	CFID	
CN(C(=O)c1cc2ccc(F)cc2s1)C1CCNCC1	161196332	JWSGKJJNAUWKHR-UHFFFAOYSA-N	292.379	2.864	70	20	CFID	
CCc1ccc(NCc2nnc3n2CCCC3)cc1	217317713	LLZFZWKUBWWBSJ-UHFFFAOYSA-N	256.353	2.789	70	20	CFID	
CS[C@@H]1CCC[C@@H](Nc2nccn3c(C)nnc23)C1	218055476	CYUJDRWFAVSQDE-GHMZBOCLSA-N	277.397	2.519	70	20	CFID	
COC(=O)CN1c2ccccc2S[C@@H](C)[C@H]1C	161132825	BUXZYXXGWYMLDY-ZJUUUORDSA-N	251.351	2.549	70	20	CFID	
FC(F)(F)c1cccnc1N1CCC(n2ccnn2)CC1	161253890	FUNDWEFBQVXKPO-UHFFFAOYSA-N	297.284	2.533	70	20	CFID	
CCCCN1CCC(NC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1	161426027	DHXCUSMCTRFCEE-HUUCEWRRSA-N	295.471	2.938	70	20	CFID	
CN(CCCCc1ccccc1)CCCCS(C)(=O)=O	161484956	YWQIPFJUHFCINZ-UHFFFAOYSA-N	297.464	2.766	70	20	CFID	
C[C@H](NC(=O)N[C@H](C)CCO)c1ccc(F)cc1Cl	160379817	RXRDVPIOVAHQAU-BDAKNGLRSA-N	288.750	2.610	70	20	CFID	
C[C@H]1CCCCN1C(=O)Nc1ccn(CC(F)(F)F)n1	160403293	NYRPNQJEKPXXAF-VIFPVBQESA-N	290.289	2.852	70	20	CFID	
COCC[C@H](C)NC[C@H](C1CCCCC1)N(C)C	160416790	GIOQXDXEBLQMIU-DZGCQCFKSA-N	256.434	2.512	70	20	CFID	
COC(=O)CCCC(=O)Nc1ccccc1CSC	160535017	QJSYDYNOBNMJSZ-UHFFFAOYSA-N	281.377	2.831	70	20	CFID	
CCCCNC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	160966068	NYCOWUJFYBKXOF-OAHLLOKOSA-N	292.423	2.888	70	20	CFID	
COc1ccc(CCCNC(=O)NC2(C)CCC2)cc1	159879563	ZFIKVASEIAVWFE-UHFFFAOYSA-N	276.380	2.870	70	20	CFID	
CCCn1nccc1CNC[C@@H](c1cccs1)N(C)C	159987160	KICGSUQXGOEJSE-AWEZNQCLSA-N	292.452	2.747	70	20	CFID	
C1CC[C@@H](c2noc(CCC3CCNCC3)n2)SC1	160663141	ARYVTURZPVGBHF-LBPRGKRZSA-N	281.425	2.960	70	20	CFID	
CSCCN(C)c1ccncc1Br	159967129	DLLRKZHQZYEIRZ-UHFFFAOYSA-N	261.188	2.643	70	20	CFID	
CCCCOc1ccc(CNCc2nncn2CC)cc1	218229332	LFKNISDJTBEWCX-UHFFFAOYSA-N	288.395	2.767	70	20	CFID	
O=C([C@H]1CCCCO1)N(Cc1cccc(F)c1)C1CC1	161022439	PUVGYHKPQLPTCD-OAHLLOKOSA-N	277.339	2.886	70	20	CFID	
CCCn1nc(C)c(C(=O)NCc2ccccc2)c1C	161122148	ZJWZFHJENPQORL-UHFFFAOYSA-N	271.364	2.840	70	20	CFID	
O=C(NCCc1cccc(Cl)c1)NO[C@H]1CCCCO1	161304453	XDTSXSFSHAABRN-ZDUSSCGKSA-N	298.770	2.640	70	20	CFID	
COC[C@H](NCCN(C)Cc1ccc(F)cc1)C(C)C	160135298	LKXPCLFNMYWZHX-INIZCTEOSA-N	282.403	2.518	70	20	CFID	
CCOCCC(=O)N[C@@H]1CCCc2sccc21	160148778	VSMIKOPZLQGVCZ-LLVKDONJSA-N	253.367	2.668	70	20	CFID	
Cc1cccc(C)c1CCNC(=O)[C@@H](N)Cc1ccccc1	160206473	YAAAVCJEVYOYAZ-SFHVURJKSA-N	296.414	2.532	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C)s1)CC2	160303245	TWNOGJYLIZFOQH-PWSUYJOCSA-N	276.409	2.622	70	20	CFID	
CN(C)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1	160369589	NBTABWWHVBXEMW-ZDUSSCGKSA-N	266.429	2.613	70	20	CFID	
CCCN(CCN(CC)CC)C(=O)Nc1cccnc1	160533631	ZACQGVPPSUUJEM-UHFFFAOYSA-N	278.400	2.667	70	20	CFID	
CS[C@H](C)CC(=O)Nc1nnc(CC(C)C)s1	160748516	HZRJDBWVZYCNQQ-MRVPVSSYSA-N	273.427	2.817	70	20	CFID	
COc1cc(CNC(=O)c2cc(F)c(C)cc2F)ccn1	160832615	HDNYCZREEIWUMP-UHFFFAOYSA-N	292.285	2.607	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCC[C@H](N)C2)cc1	159657395	RMFCKQAYUQMTAD-BMFZPTHFSA-N	274.408	2.732	70	20	CFID	
C[C@H](NCCCN1CCCC1=O)C(C)(C)c1ccccc1	159474737	RUYQBEPMKOXJIO-HNNXBMFYSA-N	288.435	2.955	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1	159908808	RKTGLLNPDOZQNJ-HZPDHXFCSA-N	293.455	2.692	70	20	CFID	
CC[C@H](CCO)NC(=O)CCCOc1ccc(C)cc1C	159363983	GEVDPGYNNOMHFV-OAHLLOKOSA-N	293.407	2.740	70	20	CFID	
C[C@H]1CN(C(=O)c2cc(F)cc3cccnc23)[C@H](C)CO1	159750914	VDRPBJZXSAOGGM-MNOVXSKESA-N	288.322	2.623	70	20	CFID	
COCc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159591099	ZFYJWONRNCFNHY-ULQDDVLXSA-N	287.403	2.880	70	20	CFID	
CCc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1	159595936	XXPZYUMOZCROQU-KFWWJZLASA-N	261.365	2.889	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc([C@H](CC)NC)n1	159958613	RTGPBSBEWGGSOB-QWHCGFSZSA-N	275.352	2.866	70	20	CFID	
CC[C@@H](CCO)NC(=O)Cc1coc2cc(C)ccc12	160058955	ROVDOJTTWOUVPB-ZDUSSCGKSA-N	275.348	2.561	70	20	CFID	
CN[C@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1	160651938	ZLHHCYWOIDERDD-ZDUSSCGKSA-N	286.400	2.849	70	20	CFID	
Cc1cccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1F	161504607	OPQOHSZFKTUEJB-LBPRGKRZSA-N	277.339	2.775	70	20	CFID	
C[C@H]1C[C@H](NC(=O)NC(C)(C)C)CN1Cc1ccccc1	160380753	LEHPUYOQHDYEJS-ZFWWWQNUSA-N	289.423	2.747	70	20	CFID	
CC(C)CNCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	218099922	QBNIPFQCYLEDRD-CYBMUJFWSA-N	270.417	2.879	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)CCc2ccc(Cl)s2)C1	161081738	YJYBEDJUEFYGLR-UWVGGRQHSA-N	286.828	2.720	70	20	CFID	
C[C@H](N)C(=O)Nc1cccc(Cl)c1SCC(F)F	161129080	GLWBPHARGNOLOA-LURJTMIESA-N	294.754	2.983	70	20	CFID	
CCOCCC1(CNC(=O)C2=CCCC2)CCC1	161484398	RRFGMARWIBJCDI-UHFFFAOYSA-N	251.370	2.810	70	20	CFID	
CNC[C@@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1	160194959	BBZRUDWMUVGTMN-CNSOWSRNSA-N	290.451	2.517	70	20	CFID	
CCOC(=O)c1coc(N2CC[C@@H](C(C)(C)C)C2)n1	160208735	XYFBCRROBHORBU-SNVBAGLBSA-N	266.341	2.724	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)c1c(C)noc1C	160229890	DWKKTZXOVZTDEH-CYBMUJFWSA-N	286.331	2.717	70	20	CFID	
C[C@H](NCCN1CCC(N(C)C)CC1)c1ccc(F)cc1	160259761	POPQRRCNAOBLQU-AWEZNQCLSA-N	293.430	2.502	70	20	CFID	
CN(C(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2	160285705	MSEBIMLUPDASPH-UHFFFAOYSA-N	291.253	2.970	70	20	CFID	
Cc1cc([C@H](C)NC(=O)N2CCC[C@](C)(O)C2)c(C)s1	160331924	QBPDCSPZMGDCON-NHYWBVRUSA-N	296.436	2.982	70	20	CFID	
CC(C)CCOc1ccc(CN2CCC[C@H]2C(N)=O)cc1	160348156	WIVOHFCTPANSLF-INIZCTEOSA-N	290.407	2.561	70	20	CFID	
O=C1[C@@H](Oc2ccc(F)cc2)CCCN1CC(F)(F)F	160528900	NPQCUANJNFHVDW-NSHDSACASA-N	291.244	2.758	70	20	CFID	
CC[C@H](N[C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1	160850592	ZFCFXOCBTWUPRC-IKGGRYGDSA-N	277.408	2.905	70	20	CFID	
CC[C@@H](CNC(=O)CO[C@H](C)CC)Oc1ccccc1F	160921853	XTDHMFXFFDCAIN-OLZOCXBDSA-N	297.370	2.914	70	20	CFID	
CC[C@@H](C(=O)N(C)CCCOC)c1ccc(F)cc1	159412787	YJVGMCMGDWOVFO-CQSZACIVSA-N	267.344	2.814	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C(C)C)n(C)n1	159832041	DDVJOMGOIMDYFO-RYUDHWBXSA-N	263.385	2.852	70	20	CFID	
CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H]1C(C)(C)O	159934646	VUNCIQKSSGQVKH-UONOGXRCSA-N	285.428	2.590	70	20	CFID	
CCCCN(C)CCNC(=O)[C@@H](C)Cc1ccccc1F	159951391	PFAQKNLXKKNLSB-AWEZNQCLSA-N	294.414	2.852	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1	159681419	IXACCIANVSWZBQ-ZFWWWQNUSA-N	258.365	2.890	70	20	CFID	
Cc1ccccc1[C@@H](C)NCCOC[C@H]1CCCO1	159644270	UEGGNUXHICDCSL-HUUCEWRRSA-N	263.381	2.841	70	20	CFID	
CCCn1nccc1CNc1cc(C(N)=O)ccc1Cl	160013267	FPEAPBWOZXEFGR-UHFFFAOYSA-N	292.770	2.658	70	20	CFID	
CN[C@@H]1CCN(C(=O)CCCC2CCCCC2)C1	160642513	LJOSWMZIDJDFPO-CQSZACIVSA-N	252.402	2.557	70	20	CFID	
COc1cc(N[C@H]2CCN(C)[C@@H](C)C2)ccc1F	160038912	LOSCXLQPYVFLMR-JQWIXIFHSA-N	252.333	2.729	70	20	CFID	
C/C=C(/C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318958	LECRNEQSBLUINH-BAQGIRSFSA-N	289.303	2.530	70	20	CFID	
CCc1ccc(CN[C@@H]2CCN3CCCC[C@@H]23)cc1	217645919	ZXEXMQCXIRROAI-SJORKVTESA-N	258.409	2.965	70	20	CFID	
CO[C@H]1C[C@@H](Nc2ncnc3c2CCCC3)C1(C)C	217812925	GVFRYBFPJLAEBZ-OLZOCXBDSA-N	261.369	2.581	70	20	CFID	
Cc1ccccc1[C@@H](C)NC(=O)NO[C@H]1CCCCO1	161103721	YNEVYWLGJPNTOR-OCCSQVGLSA-N	278.352	2.813	70	20	CFID	
CCOCCO[C@H](C)C(=O)N[C@H]1CCCc2sccc21	160082577	ZHORYLGLWHGADV-YPMHNXCESA-N	297.420	2.683	70	20	CFID	
Cc1nn(C)c2ncc(NC(=O)N[C@@H](C)CC(C)C)cc12	160094563	HDZVXVSZBBHRED-JTQLQIEISA-N	289.383	2.833	70	20	CFID	
COC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2F)C1	160204924	MFXUEYYTNUPSDJ-ZIAGYGMSSA-N	293.382	2.889	70	20	CFID	
CN(C(=O)CCC1CCC1)c1ccc2c(c1)OCO2	160210955	OAGJPMOKSZQYAR-UHFFFAOYSA-N	261.321	2.958	70	20	CFID	
CC1(C)C[C@@H](NCc2cccnc2Cl)CCO1	160440287	YSKVRXXAUZJNNK-NSHDSACASA-N	254.761	2.782	70	20	CFID	
O[C@H]1CCCC[C@@H]1CN[C@@H]1CCc2ccc(F)cc21	160560808	ASQRJOOCRWZIHP-WQVCFCJDSA-N	263.356	2.954	70	20	CFID	
Cc1cc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc(Cl)n1	160580436	JSPMWDUOKIMJJX-OLZOCXBDSA-N	294.782	2.731	70	20	CFID	
CC(C)c1cc(C(=O)N2CCOc3ccc(F)cc32)no1	160717029	CPKFRUSKLMKIQQ-UHFFFAOYSA-N	290.294	2.976	70	20	CFID	
CC[C@@H](Oc1ccccc1C)C(=O)NC1CC=CC1	160800771	GNZVNOYYFUPBDF-CQSZACIVSA-N	259.349	2.987	70	20	CFID	
O=C(NCc1ccncc1)NC1(c2cccc(F)c2)CC1	160819149	ACJKLCHURHGDHB-UHFFFAOYSA-N	285.322	2.709	70	20	CFID	
CCCCn1ncc(C(=O)NC(C)(C)CC)c1C	159604255	QVRSCIMBHXKYKI-UHFFFAOYSA-N	251.374	2.910	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1	159611327	PFVPNUFTEFNBRW-ZIAGYGMSSA-N	269.433	2.595	70	20	CFID	
Cc1cc(C)cc(CCN[C@H]2CCN(C)C[C@@H]2C)c1	159476864	UXIDZJVCFPPLTA-RDJZCZTQSA-N	260.425	2.776	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C)cc1	159546989	CVOBGUWNWNVEMR-CZUORRHYSA-N	274.364	2.763	70	20	CFID	
Cc1nccc(NC(=O)N2CCO[C@H](C)[C@@H]2C)c1Cl	159948142	ZPACCBPDHJDFHA-VHSXEESVSA-N	283.759	2.685	70	20	CFID	
Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCCO1	159956070	NWRQOOZSCPAYGO-HNNXBMFYSA-N	259.349	2.843	70	20	CFID	
CCCC(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2CC)CC1	159760930	SUOBYQGBQCTPGH-HIFRSBDPSA-N	294.439	2.720	70	20	CFID	
CCCC(C)(C)NC(=O)Nc1ccnn1C[C@H]1CCOC1	159773248	DWTRUXMGNJNQFT-GFCCVEGCSA-N	294.399	2.620	70	20	CFID	
Cc1ccc(C(=O)NCC2(N)CCCCC2)c(C)c1	159594814	WAUUDARJKIEBHC-UHFFFAOYSA-N	260.381	2.695	70	20	CFID	
Cc1ccsc1CCCC(=O)N[C@H](CO)CC(C)C	161077001	MSVLMRHFXPJVHL-ZDUSSCGKSA-N	283.437	2.902	70	20	CFID	
CC(C)CONC(=O)Nc1cccc(-c2nccn2C)c1	160029109	XFOGOJPBUYPBBN-UHFFFAOYSA-N	288.351	2.796	70	20	CFID	
CCCc1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)[nH]n1	160096378	ZJTFPFAQSKABOY-CYBMUJFWSA-N	291.395	2.584	70	20	CFID	
CCSCC[C@@H](C)Nc1nccn2nc(C)cc12	160318738	IUMTYTXUHKWAMC-SNVBAGLBSA-N	264.398	2.981	70	20	CFID	
CC(C)Cc1ccc(CC(=O)N[C@H](CCO)C(C)C)cc1	160453632	VKLKWVZNEAENAN-QGZVFWFLSA-N	291.435	2.951	70	20	CFID	
CC[C@H](NCc1ccccc1CN1CCOCC1)C1CC1	160498697	VRFLOKUSQORCIK-SFHVURJKSA-N	288.435	2.797	70	20	CFID	
COc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCSC1	160539302	PRMXBLFQGITZTC-SNVBAGLBSA-N	284.356	2.804	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NC1(c2noc(C)n2)CCCC1	160729372	RUQTVGHJHCUQRU-BXUZGUMPSA-N	277.368	2.700	70	20	CFID	
CC[C@@H](SC)C(=O)NCCOc1ccccc1Cl	159454897	IEMZHXKACRUFGT-GFCCVEGCSA-N	287.812	2.977	70	20	CFID	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCn1ccnc1	159837758	NPVJFFULTYRVHH-ZFWWWQNUSA-N	273.355	2.900	70	20	CFID	
CCOC(=O)[C@@H]1CC[C@H](Nc2nc(C(C)(C)C)ns2)C1	159994070	XEVAQQXMASGDFU-ZJUUUORDSA-N	297.424	2.979	70	20	CFID	
CC(C)OCCNC(=O)c1cc2cc(N)ccc2s1	159818485	RAOWVEFXUMTZPW-UHFFFAOYSA-N	278.377	2.638	70	20	CFID	
CCO[C@@H]1C[C@H](N[C@@H]2CCOC(C)(C)C2)C12CCC2	159947833	OVSXZWSOEKNDTA-HZSPNIEDSA-N	267.413	2.881	70	20	CFID	
CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)cc1	161394982	AXSIILLTXPJCAB-GJZGRUSLSA-N	260.381	2.810	70	20	CFID	
C[C@H]1CCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)F)c1	1354886263	SBNATWQHTJHHRQ-JQWIXIFHSA-N	299.367	2.511	70	20	CFID	
COC(=O)c1ccc(N[C@@H]2CC[C@@H](SC)C2)nc1C	218044838	YKBWHTQLSPCLDN-GHMZBOCLSA-N	280.393	2.873	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1nc2ccccc2n1C	160129022	RYOTZKFLRWTUQX-ZBEGNZNMSA-N	271.364	2.626	70	20	CFID	
CCC[C@@]1(C)NC(=O)N(CC(=O)CCC2CCCC2)C1=O	160315608	BXKFUWIIFYKIMX-MRXNPFEDSA-N	294.395	2.637	70	20	CFID	
Cc1csc2nc(-c3ccc4c(c3)CCO4)[nH]c(=O)c12	160327026	AKCWTJGDGIYTGL-UHFFFAOYSA-N	284.340	2.895	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1ccccc1OC	160364269	BDHIMPDOHAWMSM-UHFFFAOYSA-N	295.360	2.528	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N(C)C[C@@H]2CCCO2)n1	160558197	WAYKBSPXUIHHSP-ZDUSSCGKSA-N	294.399	2.572	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)c1ccccc1OC1CCC1	160669025	CHPSBEAIMXFALW-HNNXBMFYSA-N	291.391	2.755	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)[C@@H](C)CCc1cccc(F)c1	160721677	MUBMMTRJPUZBKQ-BBRMVZONSA-N	295.398	2.918	70	20	CFID	
C[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)[C@H]1c1ccccc1	160761792	XXQCHRLYKRGMLH-IUODEOHRSA-N	297.358	2.610	70	20	CFID	
CCCC1(CNC(=O)Cc2cc3ccccc3[nH]c2=O)CC1	160803260	YFHCWOVRCWKZTC-UHFFFAOYSA-N	298.386	2.767	70	20	CFID	
COCC(C)(C)C(=O)NCCOc1ccc(Cl)cc1	159653965	WBJQVXVGYOJPQW-UHFFFAOYSA-N	285.771	2.508	70	20	CFID	
O=C(C[C@@H]1CCCCO1)N[C@H]1CCOC2(CCCC2)C1	159906236	IYUIRUFNEFSIEO-KBPBESRZSA-N	281.396	2.554	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1cc(F)c(OC)c(F)c1	159985448	JJEVADBEXVSFIT-MRVPVSSYSA-N	273.279	2.727	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnn(C(C)(C)C)c1	159596375	CDSSGUZSUJPDJW-AAEUAGOBSA-N	263.385	2.947	70	20	CFID	
CN[C@H]1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)C1	160610578	ZZTBGESUOVZUHB-NSHDSACASA-N	292.766	2.829	70	20	CFID	
Cc1ccc(CCNC(=O)NCCOc2ccccc2)cc1	217303701	HZBKNNUHMLWSSP-UHFFFAOYSA-N	298.386	2.916	70	20	CFID	
Cc1cc(NC(=O)NCC(F)(F)F)ccc1F	160522937	NOOXNHDAQUUSFX-UHFFFAOYSA-N	250.195	2.818	70	20	CFID	
Cc1ccnc(NC[C@@H]2CN(Cc3ccccc3)CCO2)c1	161097916	YNGCAQCFFQVFNU-QGZVFWFLSA-N	297.402	2.703	70	20	CFID	
O=C(C=C1CCCC1)Nc1ccc(S(=O)(=O)F)cc1	460097039	YSWXQZDNLVPNHA-UHFFFAOYSA-N	283.324	2.784	70	20	CFID	
COCCNCC(=O)N(C)c1ccc(-c2ccccc2)cc1	161083631	CABSMCDEDQDIAC-UHFFFAOYSA-N	298.386	2.552	70	20	CFID	
O=C(COc1ccc(Cl)c(F)c1)Nc1nccs1	161140755	RNEYQNODGGDKPQ-UHFFFAOYSA-N	286.715	2.953	70	20	CFID	
CCCOc1cccc(CC(=O)N2CCO[C@@H](CC)C2)c1	161227749	UDDUZYZMMMCNCW-HNNXBMFYSA-N	291.391	2.655	70	20	CFID	
Cc1ccsc1CCCC(=O)N(C)Cc1cnn(C)c1	161314251	YWVBJASTMPOXJC-UHFFFAOYSA-N	291.420	2.771	70	20	CFID	
O=C(C[C@H]1CCCN1)N(CC1CCC1)c1ccccc1	161438928	JZHAILVHSXUNFJ-OAHLLOKOSA-N	272.392	2.962	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)c2ccccn2)o1	161483597	IDAAHEOFPBNMOW-CQSZACIVSA-N	286.331	2.798	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@](C)(CO)CCC)c1C	160020006	RNFCTTOHSVSLRZ-HNNXBMFYSA-N	296.415	2.664	70	20	CFID	
CCC(CC)CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1	160590937	WSBUETPFILVIKM-AWEZNQCLSA-N	294.399	2.620	70	20	CFID	
C[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160935679	KYMRRDLHSBEVTH-NEPJUHHUSA-N	299.378	2.744	70	20	CFID	
CC(C)C[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1	159611481	PFVPNUFTEFNBRW-UONOGXRCSA-N	269.433	2.595	70	20	CFID	
CC[C@H](C)OCC(=O)N1CCN(C)c2ccc(Cl)cc21	159890393	YPGJTHFKRWEHDH-NSHDSACASA-N	296.798	2.938	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccn(-c2ccccc2)n1	159736725	HCMVCQJOMHOBHQ-UHFFFAOYSA-N	281.359	2.792	70	20	CFID	
CC(C)OC1CCC(NC(=O)CC[C@@H]2CCOC2)CC1	159371556	ZRCXYOSHIWQGBQ-WLYUNCDWSA-N	283.412	2.656	70	20	CFID	
C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccccn1	159391606	QOBWZCSANSFBAD-CJNGLKHVSA-N	281.359	2.538	70	20	CFID	
COc1c(F)cc(NC(=O)[C@@H]2CC2(C)C)cc1F	159986413	UJBDDPPHGRSKHJ-QMMMGPOBSA-N	255.264	2.958	70	20	CFID	
C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)Cl	307329754	MJHNHRLZYOULEN-JTQLQIEISA-N	273.785	2.771	70	20	CFID	
CC(C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674431	JLVLCASVOZXIGN-MRVPVSSYSA-N	291.319	2.715	70	20	CFID	
Cc1cnc(CNCC2C3CC4CC(C3)CC2C4)cn1	216834300	MPHGDCLSYWGPTG-UHFFFAOYSA-N	271.408	2.947	70	20	CFID	
CC1(C)Cc2cccc(CNCCSCCCO)c2O1	217801796	YZEXIIJVXJBROC-UHFFFAOYSA-N	295.448	2.605	70	20	CFID	
COc1cc(N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc(OC)c1	217913423	OLXQGLJKTVSAPQ-HWWQOWPSSA-N	278.396	2.844	70	20	CFID	
CC(C)(C)[C@@H](CCO)NC(=O)NCc1cccc(Cl)c1	161141691	UCDGSKIXTIRTOZ-CYBMUJFWSA-N	298.814	2.936	70	20	CFID	
C[C@@H]1CN(C(=O)C[C@@H]2CCCN2)CC[C@H]1c1ccccc1	161238682	MIDBQFGZZSUJHY-HYVNUMGLSA-N	286.419	2.781	70	20	CFID	
CCO[C@@H]1C[C@H](N[C@@H]2CCN(C)C[C@@H]2C)C1(CC)CC	161301982	LRSNLUOAFBSPCK-XUWVNRHRSA-N	282.472	2.900	70	20	CFID	
CN(CCOc1ccc(F)cc1)C(=O)C1=CCCC1	160056393	ZMNXITZEYUIKRQ-UHFFFAOYSA-N	263.312	2.773	70	20	CFID	
CSC[C@H](CCO)N[C@@H]1CCc2c(C)cccc21	160185999	ZELMPIIGXYYHNY-SWLSCSKDSA-N	265.422	2.686	70	20	CFID	
CC[C@H](O)CCNC(=O)N[C@@H](C)CCCC(C)C	160651320	HKHUDJYPIVZCTQ-STQMWFEESA-N	258.406	2.661	70	20	CFID	
Cc1nccc(NC(=O)N(C)CCN2CCCC2)c1Cl	159492640	PBUYWLJWFDONBJ-UHFFFAOYSA-N	296.802	2.603	70	20	CFID	
O=c1[nH]c(CCN2CC[C@@H]3CCCC[C@@H]32)nc2ccccc12	159708838	DCALRHPRNMMMPD-BBRMVZONSA-N	297.402	2.730	70	20	CFID	
CSC[C@H](C)C(=O)Nc1ccc2nc(N(C)C)oc2c1	159916872	VWWRANSLNIFFGS-VIFPVBQESA-N	293.392	2.831	70	20	CFID	
Cc1[nH]ccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159779139	XAPDPXGQZYAYFS-GFCCVEGCSA-N	262.353	2.545	70	20	CFID	
Cc1cc(NC(=O)C(C)(C)c2ccc(F)cc2)c[nH]c1=O	159795427	WQVSJJSYMPGSPE-UHFFFAOYSA-N	288.322	2.739	70	20	CFID	
NC[C@H](c1ccccc1)c1nc([C@H]2CCCS2)no1	160599408	IOLOXROWFOJQME-VXGBXAGGSA-N	275.377	2.728	70	20	CFID	
Cc1ccccc1NC(=O)NCc1ccc(CO)cc1	217310857	UOQXTTFZZSQQTJ-UHFFFAOYSA-N	270.332	2.809	70	20	CFID	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC1CCN(C(N)=O)CC1	218159687	XTTBUKHZYMKGOZ-SNPRPXQTSA-N	281.444	2.580	70	20	CFID	
CC(C)Oc1ncccc1NC(=O)N(C)[C@H]1CCSC1	161236987	ARULGBBZENYEAT-NSHDSACASA-N	295.408	2.838	70	20	CFID	
COc1ccc(CN(C(=O)[C@H]2CCCCO2)C2CC2)cc1	160188264	NDXNVSHFGLQILA-MRXNPFEDSA-N	289.375	2.755	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H](C)C1CC1	160204859	BYIKVNDSNNVXNH-QMTHXVAHSA-N	259.349	2.845	70	20	CFID	
CNC[C@H](C)C(=O)NCC1(c2cccs2)CCCCC1	160496627	QXVBJAOUXGCEQY-ZDUSSCGKSA-N	294.464	2.922	70	20	CFID	
CCc1ccc(NC(=O)c2cnc3c(c2)ncn3C)cc1F	160969271	DLUHMHQTUWVBNF-UHFFFAOYSA-N	298.321	2.922	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccnn2C)C1	159633242	PRFMDJXKESHPMT-NSHDSACASA-N	287.388	2.809	70	20	CFID	
CCC(=O)N[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159647051	GRYAHIFABITAIZ-AWEZNQCLSA-N	294.439	2.720	70	20	CFID	
CC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1	159669200	BDVODNRTXIDAMQ-GFCCVEGCSA-N	278.421	2.801	70	20	CFID	
CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCCO2)c1	159993725	XBXLJRZXAKFAGF-OAHLLOKOSA-N	293.363	2.992	70	20	CFID	
CN(CCOc1cccc(Cl)c1)C[C@H]1CCC[C@@H]1O	159723893	CJVMRIYOAGWEOF-DOMZBBRYSA-N	283.799	2.812	70	20	CFID	
COC(CN(C)Cc1ccc(C(C)C)cc1)OC	160502119	MKIVXFPZYDPPJJ-UHFFFAOYSA-N	251.370	2.861	70	20	CFID	
CCOc1ccc(CNC(=O)NCc2ccco2)cc1	217300832	OMTRLCKUHOMFAV-UHFFFAOYSA-N	274.320	2.678	70	20	CFID	
Cc1c(F)cc(S(=O)(=O)Cl)c2cccnc12	100630375	VWCVSMRDISNEAH-UHFFFAOYSA-N	259.689	2.610	70	20	CFID	
O=C(Nc1cnn(Cc2ccccc2)c1)NC1CC=CC1	161156723	ZPGHZLNNENPSSP-UHFFFAOYSA-N	282.347	2.772	70	20	CFID	
CC[C@@H](SC)c1nc(CC(=O)NC2CCCCC2)no1	161222605	PCRKFYJQSWXAHF-LLVKDONJSA-N	297.424	2.875	70	20	CFID	
C[C@@H]1CCN(C(=O)Nc2cnc(C3CC3)nc2)C[C@@H]1C	161243506	WYBPMEXRLDFPEU-MNOVXSKESA-N	274.368	2.864	70	20	CFID	
Cn1nccc1CSc1ccc(Br)cn1	161348137	XKDVQZFKFYMXQW-UHFFFAOYSA-N	284.182	2.870	70	20	CFID	
Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]2CCn3ccnc3C2)c1	161481381	BHCFGPDCMYACBS-CABCVRRESA-N	297.402	2.940	70	20	CFID	
CCOCCC1(C(=O)N2CCC[C@H](C)C2)CCC1	160514682	VOUASRXTLBVHEV-ZDUSSCGKSA-N	253.386	2.842	70	20	CFID	
C[C@H](C1CC1)N(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160592137	QLAKNSPAAHCRLX-LLVKDONJSA-N	299.378	2.744	70	20	CFID	
Cc1cccc(OCCn2cnc(C(C)C)cc2=O)c1	160655883	YJCHYCPUJXSBCX-UHFFFAOYSA-N	272.348	2.754	70	20	CFID	
COc1ccc(Cn2cnc(C(C)C)cc2=O)cc1F	160736241	RTBGNAQZRYSJLW-UHFFFAOYSA-N	276.311	2.563	70	20	CFID	
Cn1cnnc1CN1CCC(c2c[nH]c3ccccc23)CC1	160736958	MWCKDYXJSFQAOI-UHFFFAOYSA-N	295.390	2.676	70	20	CFID	
Cc1cncc(C(=O)N(C)CCOCc2ccccc2)c1	159400158	ANALXZGOLXZBNY-UHFFFAOYSA-N	284.359	2.679	70	20	CFID	
Cc1cc(NC(=O)c2cccc(-c3ncn[nH]3)c2)ccc1O	159436348	LUWYOTSZPARWEX-UHFFFAOYSA-N	294.314	2.738	70	20	CFID	
Cc1cc2cc(NC(=O)Nc3ccn(C)n3)ccc2[nH]1	159645001	AEYKVXGOMAKEFG-UHFFFAOYSA-N	269.308	2.854	70	20	CFID	
CCCCOCCCN[C@H]1CCOC2(CCOCC2)C1	160285001	QQZFKDILAZEVRA-HNNXBMFYSA-N	285.428	2.511	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccc(OC)c(F)c1)[C@@H]1CCCO1	161128891	NUMOPMQBQMDBCW-OCCSQVGLSA-N	296.342	2.913	70	20	CFID	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)CC(C)C)c1	161438044	UGVMJGPDWCEEQR-CHWSQXEVSA-N	298.452	2.680	70	20	CFID	
CC(C)CONC(=O)Nc1cc(F)c(F)cc1F	160098515	HNDPLZVRHSFKSF-UHFFFAOYSA-N	262.231	2.813	70	20	CFID	
COc1ccc(C(C)(C)C(=O)N[C@H](C)C2CC2)cc1OC	160106438	AEIWBQFJUKPARV-LLVKDONJSA-N	291.391	2.896	70	20	CFID	
C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCCO1	160323956	OHBOPWTVHAZMSN-BXUZGUMPSA-N	265.328	2.914	70	20	CFID	
CC[C@H]1CN(Cc2c(C)nc3ccccn23)C[C@H](C)O1	160345644	FGFJTFCMFVEWLY-JSGCOSHPSA-N	273.380	2.642	70	20	CFID	
CC[C@H](NC(=O)Nc1ccccc1N(C)C)[C@@H]1CCCO1	160401865	HWOBZTMVQNZYQO-WFASDCNBSA-N	291.395	2.832	70	20	CFID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C)c(C)c1)CC2	160414218	XURVSWYOEZYOHA-XJKSGUPXSA-N	284.407	2.869	70	20	CFID	
CCOC(=O)c1cccnc1N[C@H]1CCO[C@H](C2CC2)C1	160452129	DEFDFRRMZVDXRT-JSGCOSHPSA-N	290.363	2.628	70	20	CFID	
CCOC(=O)CNC1(c2cccc(C)c2)CCCC1	160541366	VSNNYBZNEIBXGR-UHFFFAOYSA-N	261.365	2.917	70	20	CFID	
COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1O	160879990	MBHHSLODDFWRDN-ZYHUDNBSSA-N	293.363	2.718	70	20	CFID	
C[C@H](NC(=O)Nc1ccccc1)[C@H](O)Cc1ccccc1	160954481	RWILYZHZAWUGTL-XJKSGUPXSA-N	284.359	2.800	70	20	CFID	
CCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1	159802233	WIMMXEFVHFIKIJ-GFCCVEGCSA-N	266.772	2.573	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cc(F)ccc1F	159888768	VLRGABAHIIZWEN-UHFFFAOYSA-N	286.322	2.885	70	20	CFID	
CCC[C@@H]1SCCN1C(=O)c1cccc2[nH]cnc12	159559923	BYUSTJZZTVUPDS-LBPRGKRZSA-N	275.377	2.878	70	20	CFID	
CC[C@H](C)NC(=O)CCNCc1ccc(Cl)cc1F	160784215	SVALSOWYFMRCTF-JTQLQIEISA-N	286.778	2.874	70	20	CFID	
C[C@H](N[C@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)CCO2	218131588	SEBNJRSDKGYVBE-JQFCIGGWSA-N	286.419	2.899	70	20	CFID	
C[C@H]1C[C@H](OCCCS(=O)(=O)Cl)CC[C@H]1C	113572044	FKDFUPJFZSKARJ-OUAUKWLOSA-N	268.806	2.786	70	20	CFID	
O=C(Cc1cc(Br)ccc1F)NCCCF	159410021	LUTJCQCDIMBXSS-UHFFFAOYSA-N	292.123	2.607	70	20	CFID	
COCCn1ccc(NC(=O)c2ccc(Cl)cc2C)n1	160255405	SNNHQMGILLFXDA-UHFFFAOYSA-N	293.754	2.744	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1ccccc1Cn1cccn1	160334462	RSNOPBZFZSZSOX-SJLPKXTDSA-N	297.402	2.984	70	20	CFID	
CC[C@H](C)CN(CC)[C@H](C(=O)OC)c1cccnc1	160571112	CTTIXNHJDIYATH-JSGCOSHPSA-N	264.369	2.664	70	20	CFID	
COCc1cccc(NC(=O)N(C)[C@H]2CCSC2)c1	160577068	DLRHPIRIZYXJKM-ZDUSSCGKSA-N	280.393	2.802	70	20	CFID	
CC[C@H](NC(=O)[C@@H]1CC[C@H](N)C1)c1cc(F)ccc1F	160657054	LOTDFYVYKMSTRE-PUYPPJJSSA-N	282.334	2.660	70	20	CFID	
Cc1cccc(C(=O)N[C@@H](C)CC(=O)c2cccs2)n1	160882351	KBPDDZSHKBTRSD-NSHDSACASA-N	288.372	2.843	70	20	CFID	
CC(C)=C[C@@H]1[C@H](C(=O)Nc2c[nH]c(=O)c(C)c2)C1(C)C	159614306	SRZMOCDEDBEDNG-CHWSQXEVSA-N	274.364	2.860	70	20	CFID	
COCCC1(C(=O)NCCN(C(C)C)C(C)C)CCCC1	159626040	OTPDGSLAFKCNEO-UHFFFAOYSA-N	298.471	2.818	70	20	CFID	
C[C@H](CC(=O)N(C)c1ccccc1)N[C@@H]1CCCSC1	159636057	FSIJLUPVAQKCRQ-ZIAGYGMSSA-N	292.448	2.913	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNCC1CC1	159445278	MMANFZWKSDBAMX-LBPRGKRZSA-N	294.826	2.729	70	20	CFID	
CC1=C(C(=O)NCCSc2ccccc2)CCCO1	159729927	GCCWIUOPLMGNIP-UHFFFAOYSA-N	277.389	2.979	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N(C)CCC1CC1	159384170	YVZRSKYNXIZEDM-UHFFFAOYSA-N	269.776	2.508	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCCC2	159800537	PIVAHXISPPSTHY-CMPLNLGQSA-N	261.369	2.597	70	20	CFID	
CO[C@]1(CNC2CC(c3ccccc3Cl)C2)CCOC1	160120029	KMWPHNVUJLILRE-ZUEPYMLJSA-N	295.810	2.981	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1cc2ccc(F)cc2s1	160119796	ALZFIXMOVHGISD-NSHDSACASA-N	281.352	2.931	70	20	CFID	
O=S(=O)(Cl)[C@@H]1CCCC[C@H]1C(F)(F)F	222044577	XERHFIZAPJCPHO-PHDIDXHHSA-N	250.669	2.676	70	20	CFID	
O=C(C1CC1)N1CC[C@@H](Oc2ccccc2Cl)C1	161419342	AMEUGKYXBWVIGT-LLVKDONJSA-N	265.740	2.730	70	20	CFID	
CC/C(=C/C(=O)N1CCC(O)CC1)c1ccc(C)cc1	160124925	HONIOPGCIJMSMT-OWBHPGMISA-N	273.376	2.772	70	20	CFID	
CCO[C@H](C)C(=O)N[C@H]1CCCc2sccc21	160141300	OARHZMKQJDGOSP-KOLCDFICSA-N	253.367	2.667	70	20	CFID	
CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	160344965	QTJYJCOCLKCQCT-NJZAAPMLSA-N	290.407	2.778	70	20	CFID	
CSC[C@@H](CCO)N[C@@H](C)c1ccc(F)cc1	160355907	ZWYXWWXPYOJYKD-GXFFZTMASA-N	257.374	2.590	70	20	CFID	
CC(=O)Nc1ccccc1CNCCNc1cccc(C)n1	160540558	SIULMKBOSMRYDY-UHFFFAOYSA-N	298.390	2.550	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160571032	NRFXPZHDZBEDKP-VTPLQMEGSA-N	266.385	2.526	70	20	CFID	
CCc1cc(O)nc(CN2CCC[C@@H]3CCCC[C@@H]32)n1	160583879	JXCGOQWREGNEEW-JSGCOSHPSA-N	275.396	2.899	70	20	CFID	
CC(C)CSCCCNC(=O)C1[C@@H]2CCC[C@@H]12	160680142	YTRJMMAELWLUIV-VXGBXAGGSA-N	255.427	2.928	70	20	CFID	
CCOc1ccccc1Cn1cnc(C(C)C)cc1=O	160828069	XVNPWGFUDZRPKV-UHFFFAOYSA-N	272.348	2.814	70	20	CFID	
CCCn1c(C)nnc1CN1CCS[C@H]2CCCC[C@@H]21	160918260	WSWLBQOCDWSBEN-KBPBESRZSA-N	294.468	2.857	70	20	CFID	
CCOc1ccc(N[C@@H](C)CCn2cccn2)cc1CO	159423766	PYXZIQXICATTFV-ZDUSSCGKSA-N	289.379	2.665	70	20	CFID	
C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ns2)CN1C1CC1	159912478	VCNRIBBZJXHWJA-UWVGGRQHSA-N	280.441	2.873	70	20	CFID	
CC[C@@H](C)NC(=O)C(=O)Nc1cccnc1-c1ccccc1	159940950	ZQCVMFVTTXRCRK-GFCCVEGCSA-N	297.358	2.602	70	20	CFID	
Cc1cccc(OCC(=O)NCC2(C3CC3)CC2)c1	159778297	YCTOALKUOWLYQV-UHFFFAOYSA-N	259.349	2.680	70	20	CFID	
CC(C)OCCNC[C@@H](O)c1ccc(C(F)(F)F)cc1	160189494	ZZMOPNKVSZBKRL-CYBMUJFWSA-N	291.313	2.753	70	20	CFID	
COc1cc(NC(=O)C[C@@H](CN)CC(C)C)ccc1F	160324089	XHIMNRVINZDFLA-NSHDSACASA-N	282.359	2.784	70	20	CFID	
CCCCOC[C@@H](CS(=O)(=O)Cl)C(C)C	114477019	KOHHQFHUXNPSCA-JTQLQIEISA-N	256.795	2.644	70	20	CFID	
Cc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)F	857676166	IOJZAXFRIPJDMS-UHFFFAOYSA-N	273.329	2.638	70	20	CFID	
CCc1ccc(OCCCS(=O)(=O)Cl)cc1	100495452	RCSMXJDLTNTZRM-UHFFFAOYSA-N	262.758	2.587	70	20	CFID	
CCCCN(CCCN1CCCCC1)CCOC	161040911	RDLWRSVUSVQMEC-UHFFFAOYSA-N	256.434	2.611	70	20	CFID	
CCC(CC)n1nccc1C(=O)NC[C@@H](C)N(CC)CC	161443258	RGESVAOCFMDVEU-CYBMUJFWSA-N	294.443	2.704	70	20	CFID	
O=C(CC[C@@H]1CCCCO1)N[C@@H]1CCOC2(CCCC2)C1	160032314	QDNLCVDBPZJZNK-CABCVRRESA-N	295.423	2.944	70	20	CFID	
CCOc1cc(C)ccc1CNC(=O)NC[C@H](C)SC	160195886	DMPGYYBJTQSBDB-LBPRGKRZSA-N	296.436	2.944	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccccc1COC)[C@H]1CCCO1	160826814	VRDZXLNNCQFJAQ-UKRRQHHQSA-N	292.379	2.912	70	20	CFID	
CCn1cc(CN(C)Cc2ccc(OC)cc2OC)cn1	160829998	XYDGETFQCWGXJY-UHFFFAOYSA-N	289.379	2.552	70	20	CFID	
C[C@@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccc(Cl)s1	159402553	KNJWMMMSLAQCIO-MXWKQRLJSA-N	298.839	2.858	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCCCOC(C)C)n1	159670350	AGYZONOBGFDPJO-UHFFFAOYSA-N	296.415	2.866	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)CCCN	161398762	RACDOHNABOFKEK-UHFFFAOYSA-N	252.383	2.865	70	20	CFID	
CC(C)C(=O)NCCCN[C@H](C)c1ccc(F)cc1F	159974845	SJUBSMYMJRBACU-LLVKDONJSA-N	284.350	2.778	70	20	CFID	
C[C@@H](NC[C@H]1CSCCS1)c1cscn1	161221081	IIOOCJBRGFNQLQ-BDAKNGLRSA-N	260.453	2.642	70	20	CFID	
CC1(C)C(NC(=O)c2ccc(S(=O)(=O)F)cc2)C1(C)C	864242494	HLIHRBNRTKUUHB-UHFFFAOYSA-N	299.367	2.509	70	20	CFID	
CC[C@@H](C)OCC(=O)NCCc1ccc(C)cc1C	161474258	TYTWMJLOGOQAOE-CQSZACIVSA-N	263.381	2.777	70	20	CFID	
COc1cc(F)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC	161176271	XLVOTTWFNITKJQ-GHMZBOCLSA-N	295.354	2.961	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cccc(NC(=O)C2CC2)c1	160055949	HVYAJONQTWQPCM-UHFFFAOYSA-N	298.386	2.955	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1ccc([S@](C)=O)cc1	160122295	QBGTYKBDCBQRHM-LAPQFRIASA-N	296.480	2.805	70	20	CFID	
CCn1c(NC(=O)[C@H]2CCCCO2)nc2ccccc21	160235147	DSTBQVRICAUTPD-CYBMUJFWSA-N	273.336	2.564	70	20	CFID	
CC(C)c1noc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160415232	PXCXDIHOURTYSF-GHMZBOCLSA-N	251.330	2.563	70	20	CFID	
CC(C)CCN(C)C(=O)c1cccc(-c2ncn[nH]2)c1	159809297	MKTKWXDFZJQXKR-UHFFFAOYSA-N	272.352	2.590	70	20	CFID	
COc1cc(CNC(=O)NC2(C)CCC2)ccc1C	159906625	BDBRBAWFYNFYKQ-UHFFFAOYSA-N	262.353	2.745	70	20	CFID	
Cc1nc(NC(=O)[C@@H]2CC=CCC2)cc(C2CC2)n1	159924351	LPPFMIIBPJQXEM-GFCCVEGCSA-N	257.337	2.957	70	20	CFID	
O=C(NCCCCCOC1CCCCC1)[C@@H]1CCCNC1	159534331	HUNKVWGNWJSXDU-OAHLLOKOSA-N	296.455	2.622	70	20	CFID	
Cc1cccc([C@H](NC(=O)c2cc[nH]n2)c2ccccn2)c1	159946631	KJDVRAOFHOAHRX-INIZCTEOSA-N	292.342	2.633	70	20	CFID	
CCOc1ccccc1N(C)Cc1nc(CC)no1	159372233	RLRINHMTIHUWGL-UHFFFAOYSA-N	261.325	2.667	70	20	CFID	
Cc1csc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)n1	159693364	GXQBPWDPAXQMCA-RYUDHWBXSA-N	279.409	2.655	70	20	CFID	
COc1ccc(-c2cc(S(=O)(=O)F)on2)cc1Cl	675065357	CMYKSDLDXFLGKR-UHFFFAOYSA-N	291.687	2.662	70	20	CFID	
CC[C@H](C)N(C)CCNCc1c[nH]nc1-c1ccc(C)o1	217395404	NMHGNQTUIJFEBA-LBPRGKRZSA-N	290.411	2.798	70	20	CFID	
C[C@@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)F)c1	1338943006	IDNQBUUMIFVNNH-JTQLQIEISA-N	299.367	2.653	70	20	CFID	
Cc1nc2c(n1CC(=O)Cc1ccccc1)CCCC2	216882182	DOXIXJKLAIFNEB-UHFFFAOYSA-N	268.360	2.882	70	20	CFID	
CCCN(Cc1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1	161116118	RWISZAABYPYJOC-CQSZACIVSA-N	299.411	2.533	70	20	CFID	
Cc1ccnc(NC[C@H]2CCCN(CC(C)C)C2)n1	161304373	TXPNMPRXGZDTHR-CQSZACIVSA-N	262.401	2.565	70	20	CFID	
CCc1cc(=O)oc2cc(OCc3ccnn3C)ccc12	161316829	QGSOHUNADRMPGK-UHFFFAOYSA-N	284.315	2.668	70	20	CFID	
CCc1ncsc1C(=O)N[C@H]1CCc2c(O)cccc21	160041535	CPRKOQXPXVBWTB-LBPRGKRZSA-N	288.372	2.828	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(Br)cn1	160069785	FAEAVSGKHGNSOR-QMMMGPOBSA-N	287.157	2.598	70	20	CFID	
Cc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)s1	160118984	WCHJVRWBTLYFJJ-UHFFFAOYSA-N	271.407	2.525	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H](C)C2)CCO1	160391878	QOQLHSVPXUPRHA-MELADBBJSA-N	268.401	2.776	70	20	CFID	
CCC(N)(CC)CNC(=O)CCCOc1ccc(F)cc1	160451789	UBTQHHLUTKPOJR-UHFFFAOYSA-N	296.386	2.618	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(CC(C)C)cc1	160480052	UTUUXAQFVUFHJQ-CYBMUJFWSA-N	291.391	2.957	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)[C@H](C)CCc1ccccc1F	160744467	AOIKUSJOJBDJGU-CZUORRHYSA-N	295.398	2.918	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1cc(CN(C)C)ccc1C	160942561	RNPWXBTWHJTDGC-ZDUSSCGKSA-N	278.396	2.810	70	20	CFID	
C[C@H](NC(=O)[C@@H](C)N)c1cccc(Cl)c1Cl	160986223	NBARJVOQTJUJBK-RQJHMYQMSA-N	261.152	2.518	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)N[C@H](C)C(C)C	159402068	QGQHVENGJGENLD-CYBMUJFWSA-N	278.396	2.682	70	20	CFID	
COc1ncc(C)cc1NC(=O)C[C@@H]1CSCCS1	159803172	SLYLHWXGFLYHKQ-SNVBAGLBSA-N	298.433	2.576	70	20	CFID	
CC[C@H](C)OCC(=O)N1CCCN(c2ccccc2)CC1	159899048	UPLJDHKPJXMDDA-HNNXBMFYSA-N	290.407	2.540	70	20	CFID	
C[C@@H](CC(=O)N1CCC[C@H](O)C1)C1CCCCC1	159932292	UIPUZVAQJGYMGA-JSGCOSHPSA-N	253.386	2.576	70	20	CFID	
CC(C)[C@H]1CN(C)CCN1c1nc(C(C)(C)C)ns1	159579562	WSISXZWSYCQCRD-LLVKDONJSA-N	282.457	2.612	70	20	CFID	
C[C@H]1CCC[C@@H](OCCCCS(=O)(=O)Cl)C1	114257976	LOODIZJLOLDXJT-WDEREUQCSA-N	268.806	2.931	70	20	CFID	
CCCCCNC(=O)[C@@H](C)Sc1ccncc1	160005647	SLVYAYCUHBUQKE-LLVKDONJSA-N	252.383	2.869	70	20	CFID	
O=S(=O)(Cl)c1cc(-c2ccc(Cl)cc2)no1	521400323	JCZSZDNYNLLUPK-UHFFFAOYSA-N	278.116	2.923	70	20	CFID	
CC[C@@H](C)N(C)CCN[C@@H](C)Cc1ccc(O)cc1	217759713	LOMYESCBBCKUOP-UONOGXRCSA-N	264.413	2.643	70	20	CFID	
CCCCCNC(=O)CN1CCC[C@H]1c1cccc(C)n1	160017677	IYXZSZLWSLBRBZ-INIZCTEOSA-N	289.423	2.833	70	20	CFID	
CSC[C@H](CCO)NC1C2CC3CC(C2)CC1C3	160146461	VEISNCRRWRKHRZ-BPHCLYMKSA-N	269.454	2.515	70	20	CFID	
CN1CCC(Oc2ccc(NCc3ccncc3)cn2)CC1	160154433	PMAPOVQTDFMUKO-UHFFFAOYSA-N	298.390	2.562	70	20	CFID	
CC[C@H](C)C(=O)Nc1ccc(C(=O)NC)cc1Cl	160213376	YKFOUVOERXLBDY-QMMMGPOBSA-N	268.744	2.684	70	20	CFID	
CN(C)[C@H](CNC(=O)C(C)(C)C1CCCC1)C1CC1	160451997	DCPVSGPSHILVKU-CQSZACIVSA-N	266.429	2.659	70	20	CFID	
C[C@H](CO)CNC(=O)c1ccc(-c2ccccc2Cl)o1	160477919	SBHMFTIKCHTFEL-JTQLQIEISA-N	293.750	2.958	70	20	CFID	
CCCOc1cccc(CN2CCC(CC(N)=O)CC2)c1	159809001	UFSUBCBWFVMKLJ-UHFFFAOYSA-N	290.407	2.563	70	20	CFID	
Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c[nH]c1=O	159425091	UOPJGNLTQCZICM-KBPBESRZSA-N	286.306	2.565	70	20	CFID	
CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCCO1	159856014	ONSSYSYNJHOTQR-ZDUSSCGKSA-N	267.756	2.868	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)C1(c2ccccc2)CCC1	160481826	OECGCODBTFANKU-OAHLLOKOSA-N	275.392	2.632	70	20	CFID	
CCc1ccc([C@H](C)NCC(=O)NCC(F)(F)F)s1	160619006	FWPSDFRPEVOYEN-QMMMGPOBSA-N	294.342	2.640	70	20	CFID	
Cc1[nH]ncc1CCCNC(=O)C1CCC(F)(F)CC1	160992534	PFBHNYFLVJHFEM-UHFFFAOYSA-N	285.338	2.592	70	20	CFID	
CCc1noc(CN2CCC[C@@H]2c2cccc(C)n2)n1	160123001	MMWCGPNTWZQKBJ-CYBMUJFWSA-N	272.352	2.673	70	20	CFID	
Cc1ccc(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1	217285436	KYQXBBLXCVGGBP-ZDUSSCGKSA-N	289.379	2.516	70	20	CFID	
CC[C@H](NC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1	160882674	ATERHQCISOMBFN-NXHRZFHOSA-N	290.451	2.912	70	20	CFID	
C=C(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460089598	FWCFPHKUOYENDY-UHFFFAOYSA-N	285.340	2.886	70	20	CFID	
COc1ncccc1CNCc1cccc2cc[nH]c12	218102004	YVIDANLORKGOKR-UHFFFAOYSA-N	267.332	2.861	70	20	CFID	
Cc1nc(C2(NCc3ccsc3)CCCC2)no1	161365859	XHOCFLDHRCUJNJ-UHFFFAOYSA-N	263.366	2.999	70	20	CFID	
CCOC(=O)[C@H]1CC[C@@H](NCc2ccco2)C[C@@H]1C	161481231	SOFMJNFLZMULJW-SCRDCRAPSA-N	265.353	2.737	70	20	CFID	
CCCc1cc(C(=O)N[C@@H]2CCc3c(OC)cccc32)[nH]n1	160058566	CAQDSMSTMRSFGQ-CQSZACIVSA-N	299.374	2.788	70	20	CFID	
CC(C)(C)OC(=O)N1CCC[C@H](N2CCCC2)CC1	160120878	NJYCCBAXJLPHOV-ZDUSSCGKSA-N	268.401	2.872	70	20	CFID	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C=CCCC1	160269380	JXWYYZNUWFRROQ-ZWNOBZJWSA-N	277.368	2.803	70	20	CFID	
CN(C(=O)c1cccc2[nH]cnc12)c1ccc2c(c1)OCO2	160343036	JPTANIFRXUINFU-UHFFFAOYSA-N	295.298	2.568	70	20	CFID	
CS[C@@H](C)CC(=O)NCCCCN1CCC(C)CC1	159406399	WSZZOFFYMGLBJU-AWEZNQCLSA-N	286.485	2.756	70	20	CFID	
CC(C)(C)[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)CC1	159463787	KLTFRFYVGYYPJU-QWHCGFSZSA-N	268.401	2.633	70	20	CFID	
CC[C@@H](NCC1(N2CCCCC2)CCCCC1)C(=O)OC	159478211	HNSCMTXHEXTQIW-OAHLLOKOSA-N	296.455	2.716	70	20	CFID	
CSCCN(C)C(=O)c1cnn(CC(C)C)c1C1CC1	159483154	HWLZMUICCYCBKS-UHFFFAOYSA-N	295.452	2.852	70	20	CFID	
Cc1nccc(NC(=O)NCCN2CCCCC2)c1Cl	159703074	WLLGHFAZHJMCCC-UHFFFAOYSA-N	296.802	2.651	70	20	CFID	
CCN(CC)C(=O)N1CCO[C@]2(CCc3ccccc32)C1	159728394	CCIKNIKOYMTHRP-QGZVFWFLSA-N	288.391	2.622	70	20	CFID	
CCC[C@@](C)(CO)NC(=O)Nc1ccn(CCC(C)C)n1	159540774	FJWKZQHTFPLAPQ-HNNXBMFYSA-N	296.415	2.602	70	20	CFID	
CCc1cc(O)nc(CN(CC)Cc2ccccc2)n1	160491937	DQUFISAEUBGVOW-UHFFFAOYSA-N	271.364	2.767	70	20	CFID	
Cc1cc(C(=O)NCc2cccnc2)cc(C)c1F	161346874	DSLOIBHQJZPJIZ-UHFFFAOYSA-N	258.296	2.768	70	20	CFID	
Cc1ccc(F)c(C(=O)N(C)Cc2cccn2C)c1	160638706	GOICMFAGBLUYLK-UHFFFAOYSA-N	260.312	2.745	70	20	CFID	
O=S(=O)(Cl)c1ccc(OC[C@@H]2CCCCO2)cc1	59364052	AJNILXDSSHBYAB-NSHDSACASA-N	290.768	2.562	70	20	CFID	
CC(C)N(C(=O)c1cccc(S(=O)(=O)F)c1)C(C)C	1337125994	JUKYSWZYEYDGFF-UHFFFAOYSA-N	287.356	2.604	70	20	CFID	
Cc1noc(C)c1[C@H](C)NC(=O)NC1(C)CCC1	161234425	OBNNLRCITDGVQG-QMMMGPOBSA-N	251.330	2.594	70	20	CFID	
CCc1nc2c(s1)[C@H](NC1CCN(C)CC1)CCC2	161476593	TYBKLXUZTOKXPB-GFCCVEGCSA-N	279.453	2.767	70	20	CFID	
CCc1ccc([C@@H](C)CC(=O)NC[C@H]2CCCN2C)cc1	160134159	KPOKJBCSPOHBPX-WMLDXEAASA-N	288.435	2.953	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)CC1CCCC1	160541443	WJDRCKXELMRABE-OAHLLOKOSA-N	266.429	2.803	70	20	CFID	
COCc1noc([C@@H](C)c2c(F)cccc2F)n1	160855010	BPPKXXLSTDBROW-ZETCQYMHSA-N	254.236	2.646	70	20	CFID	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCN	160940780	LBUDHGGVFCQLHI-AWEZNQCLSA-N	288.416	2.805	70	20	CFID	
CC(C)(C)c1nsc(NCCCOC[C@@H]2CCOC2)n1	159600867	VPMLZPBGMJNSDF-NSHDSACASA-N	299.440	2.691	70	20	CFID	
CN(CC(C)(C)O)C(=O)C[C@@H]1CCCCC1(C)C	159628580	SFBPDYFYBXKYEE-LBPRGKRZSA-N	255.402	2.822	70	20	CFID	
Cn1ccc(NC(=O)CCCOc2ccc3c(c2)CCC3)n1	159444658	SGFONFOSQNAXRJ-UHFFFAOYSA-N	299.374	2.707	70	20	CFID	
COc1cc(NCCc2cccc3cccnc23)ncn1	159472838	LGHMJALCDXOHRF-UHFFFAOYSA-N	280.331	2.688	70	20	CFID	
COCc1ccccc1NC(=O)NC[C@H](C)SC	159870952	GNIOWMAINWAHHN-JTQLQIEISA-N	268.382	2.706	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCCc3sccc32)c(=O)[nH]1	159938873	ISLKXTBIBVZDNM-LBPRGKRZSA-N	288.372	2.552	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)CSC	159939985	OWEFEYKKKCWAAE-MFKMUULPSA-N	279.405	2.798	70	20	CFID	
COCC1CCN(C(=O)[C@H](C)c2ccsc2)CC1	159958541	LPJAECVOQJBDIY-LLVKDONJSA-N	267.394	2.737	70	20	CFID	
Cc1cc(-c2noc([C@@H](C)N(C)C[C@@H](C)O)n2)ccc1F	159564206	TWRFENHCTRKAJP-GHMZBOCLSA-N	293.342	2.558	70	20	CFID	
COc1ccc(C)nc1NC(=O)C[C@@H]1CSCCS1	159973126	QYVWCVIAAIBWPG-SNVBAGLBSA-N	298.433	2.576	70	20	CFID	
c1cc2cn[nH]c2cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159587232	LEUBWPOXSTUWPG-BMFZPTHFSA-N	283.375	2.610	70	20	CFID	
COC(=O)[C@H](CC(C)C)NC/C=C\c1ccccc1	218757294	LTJJSKYZZPJVAQ-XMELGKRDSA-N	261.365	2.877	70	20	CFID	
O=C(CC1CCC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674036	BHGHBPSVCKVOMC-UHFFFAOYSA-N	289.303	2.613	70	20	CFID	
COC(=O)c1ccc(N[C@@H]2CC[C@H](SC)C2)nc1C	218045003	YKBWHTQLSPCLDN-MNOVXSKESA-N	280.393	2.873	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1	161224946	UDBIJYLRTMLBJJ-KGLIPLIRSA-N	252.402	2.733	70	20	CFID	
CC(C)CN1CCC[C@H](CNc2ccc3nccnc3n2)C1	161314406	FKOBTVQKXLHSSF-CQSZACIVSA-N	299.422	2.805	70	20	CFID	
CC1(NC(=O)NCCCOC2CCCC2)CCC1	160317547	SZLMGTVDXFIPTQ-UHFFFAOYSA-N	254.374	2.578	70	20	CFID	
Cn1c(CO)cnc1SCC(=O)CCC1CCCC1	160441730	OPGQALIJMIAWQN-UHFFFAOYSA-N	282.409	2.544	70	20	CFID	
CCC(N)(CC)CNC(=O)CCOc1cc(C)ccc1C	160468221	UXQDFHCJTLZHBK-UHFFFAOYSA-N	292.423	2.706	70	20	CFID	
Cc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)cn1	160488467	BROUQQBIXIRMPU-GFCCVEGCSA-N	289.360	2.950	70	20	CFID	
CCCC(=O)N1CCC(C(=O)NCC2(CCC)CC2)CC1	160631173	IMNGAXAIVBOJDV-UHFFFAOYSA-N	294.439	2.722	70	20	CFID	
CCn1ccnc1CN(C)CCCc1ccc(OC)cc1	160832873	QXAITRYBSBSEAE-UHFFFAOYSA-N	287.407	2.976	70	20	CFID	
C[C@@H](CN[C@H](C)C1CCOCC1)N(C)Cc1ccccc1	160897752	ZIXBUTVWHRCOLC-JKSUJKDBSA-N	290.451	2.912	70	20	CFID	
C[C@H](Cc1ccccc1F)C(=O)N(C)C[C@@H]1CCCOC1	159446151	PUSCTXFTRPMIEL-KGLIPLIRSA-N	293.382	2.889	70	20	CFID	
CO[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159946745	PKSAJTFRUDHUSB-ZDUSSCGKSA-N	253.386	2.840	70	20	CFID	
CC[C@@H]1COCCN1C(=O)Nc1ccn(CCC(C)C)n1	159989386	ZDZDONJFBPETAI-CYBMUJFWSA-N	294.399	2.572	70	20	CFID	
CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1ccnc(C)c1Cl	159991231	SGWXJRYGTUQGLH-XPTSAGLGSA-N	299.802	2.962	70	20	CFID	
CCCc1nc(CN(C)C[C@@H]2CCC[C@@H]2O)cs1	159665653	DIIAMKYEIIDDGV-AAEUAGOBSA-N	268.426	2.688	70	20	CFID	
O=C(CCCNCc1coc2ccccc12)NC1CC1	159824786	YMJWYZDNLDUNQD-UHFFFAOYSA-N	272.348	2.581	70	20	CFID	
Cc1c(C(=O)N[C@@H]2CCC[C@@H]2CO)oc2ccc(F)cc12	217994973	VKFYSEBWUYXKEM-ZWNOBZJWSA-N	291.322	2.771	70	20	CFID	
O=S(=O)(Cl)CCCOCc1cccc(Cl)c1	114502946	SSTPFHWDANHKBG-UHFFFAOYSA-N	283.176	2.815	70	20	CFID	
Cc1nnc2c(NCCCC3CCCC3)nccn12	218048540	OQLQZLQEQIQJDD-UHFFFAOYSA-N	259.357	2.815	70	20	CFID	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCCNC2)C1	161047629	TZOXYRDHWCTASB-BJJXKVORSA-N	290.382	2.735	70	20	CFID	
CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@H]1CCCN1	161107873	RQNYFCTXPRRQSX-HZPDHXFCSA-N	274.408	2.608	70	20	CFID	
CS[C@H](C)CC(=O)Nc1cnc(C(C)(C)C)nc1	161161896	QKZQYXFLYYIZSI-SECBINFHSA-N	267.398	2.854	70	20	CFID	
CC[C@H]1c2ccccc2CCN1C(=O)CCNC(C)C	160132885	GVRPGFQEAJMVMS-INIZCTEOSA-N	274.408	2.911	70	20	CFID	
CC(C)c1ccc(C(=O)NC[C@H]2CSCCS2)cn1	160149239	HFIPSPGCYYHKFP-LBPRGKRZSA-N	296.461	2.783	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1ccnc2ccccc12	160299925	YEDOCCWOJKWGPT-UHFFFAOYSA-N	284.359	2.517	70	20	CFID	
CCN(CC)CCCNc1nnc(C(F)(F)F)s1	160319754	NNSDBHROMLRHCF-UHFFFAOYSA-N	282.335	2.701	70	20	CFID	
CC[C@H](NC(=O)c1ccncc1)c1c(C)noc1C	160322846	PHYZTWXEUTUYJU-LBPRGKRZSA-N	259.309	2.568	70	20	CFID	
CCOC[C@@H]1CCCN(Cc2c(C)nc3ccccn23)C1	160411266	PTBDYJRBNISSFR-OAHLLOKOSA-N	287.407	2.891	70	20	CFID	
CCC[C@@H](C(=O)Nc1nnc(C(=O)OCC)s1)C(C)C	160910055	SRJYFXIARWYCFF-SECBINFHSA-N	299.396	2.726	70	20	CFID	
CC[C@H](C)N(C)C(=O)NC[C@H]1CCCCN1CC(C)C	160968633	KZLMKNUICDEPDP-LSDHHAIUSA-N	283.460	2.937	70	20	CFID	
Cc1c(NC(=O)[C@@]2(F)CCNC2)sc2c1CCCC2	160989231	RMWBSRRWUSNBRL-CQSZACIVSA-N	282.384	2.575	70	20	CFID	
CCOC[C@H](O)CN[C@@H](C)c1ccc(SCC)cc1	159637689	SWQAGQCJSGUYFA-GXTWGEPZSA-N	283.437	2.847	70	20	CFID	
O=C(C[C@@H]1CCCN1)N[C@H]1CCC[C@H]1Cc1ccccc1	159449699	ILTUJCQBTGRQRL-ULQDDVLXSA-N	286.419	2.656	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(Cn2cccn2)cc1	159683307	MNOFYXMMTJAPNK-UHFFFAOYSA-N	295.386	2.851	70	20	CFID	
CCOCCNc1ncc(Cl)cc1Br	159549286	HDMOBRWRZIXFCW-UHFFFAOYSA-N	279.565	2.946	70	20	CFID	
CCCn1nccc1CNCC1(O)CCC(C)(C)CC1	160161711	NLKWYSRCGPMLNY-UHFFFAOYSA-N	279.428	2.714	70	20	CFID	
CCCn1nccc1CNCc1ccc(F)c(F)c1	160120882	BFJMPMQSXKCNER-UHFFFAOYSA-N	265.307	2.861	70	20	CFID	
Cc1ccc(C(=O)CCN(C)C[C@H]2CCC[C@@H]2O)cc1	161030850	CXTCKACKXZJQKI-CVEARBPZSA-N	275.392	2.661	70	20	CFID	
CCOC(=O)[C@@H]1CCCCN1C[C@H]1CC=CCC1	161250123	ZTDGIFVAOODPKX-KBPBESRZSA-N	251.370	2.760	70	20	CFID	
CCC(CC)(CNCc1cnc(Cl)s1)C(=O)OC	159660013	DVGWSTWTGOOEKA-UHFFFAOYSA-N	290.816	2.866	70	20	CFID	
O=S(=O)(Cl)C[C@H](F)c1ccccc1OC(F)F	1537958822	NKQBTONCICNTLY-ZETCQYMHSA-N	288.674	2.867	70	20	CFID	
O=S(=O)(Cl)[C@H]1CCCC[C@@H]1C(F)(F)F	222044634	XERHFIZAPJCPHO-WDSKDSINSA-N	250.669	2.676	70	20	CFID	
CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCCC1	161130016	IBESMHHWUSHNMN-ZNMIVQPWSA-N	292.423	2.918	70	20	CFID	
Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CCC[C@@H](N)C1	161208609	FOMGANHMLDAMEF-CHWSQXEVSA-N	299.374	2.650	70	20	CFID	
Cc1cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)[nH]n1	160082865	VVQNOLZQIDVTKI-ZJUUUORDSA-N	261.350	2.830	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)NCCCC(=O)OC(C)C	160102600	AAYCBFDSTRQOOE-CYBMUJFWSA-N	284.400	2.692	70	20	CFID	
CC1(C)CCC(CNC(=O)NCCCn2cccn2)CC1	160133242	AHPJFPMJJCKFTK-UHFFFAOYSA-N	292.427	2.789	70	20	CFID	
C[C@H](NC(=O)C1CCC(C)(C)CC1)C(=O)N1CCCCC1	160150148	VMJWUUZEZJAWMO-ZDUSSCGKSA-N	294.439	2.720	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3oc(C)cc3C)[nH]2)o1	160259979	DHTNPCVGWARIBH-UHFFFAOYSA-N	286.291	2.835	70	20	CFID	
CCN(C(=O)c1cnc2c(c1)ncn2C)C1CCCCC1	159644996	IJXWLUNBPMQYGX-UHFFFAOYSA-N	286.379	2.763	70	20	CFID	
NC1(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCCCC1	159466746	IQTVMLBTJJKHDK-GJZGRUSLSA-N	290.382	2.707	70	20	CFID	
O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCCO1	159663483	MFJKGMAAGCILFM-JTQLQIEISA-N	266.366	2.530	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](C)[C@@H]2CCOC2)c1C	159866264	RKXQHYFMSLJYQC-WCQYABFASA-N	294.399	2.538	70	20	CFID	
Cc1cc(NC(=O)[C@H](C)OC2CCCCCC2)c[nH]c1=O	159681034	RAZGLQRTMNBKPX-LBPRGKRZSA-N	292.379	2.750	70	20	CFID	
O=C(Nc1cccc(Cl)c1F)[C@H]1CCCCO1	159886361	XYRJVKMAICWRMN-SNVBAGLBSA-N	257.692	2.987	70	20	CFID	
CCC[C@H](C)CC(=O)N(C)CC(C)(C)CN1CCOCC1	159898276	GPZGEUOQGYRCMV-HNNXBMFYSA-N	298.471	2.630	70	20	CFID	
CCCc1nnc(NC(=O)N[C@@H](CC)[C@@H]2CCCO2)s1	159706213	CQDCSXPMFGBXEO-UWVGGRQHSA-N	298.412	2.570	70	20	CFID	
CCCCc1cc(NS(=O)(=O)c2ccc(C)cc2)[nH]n1	159969947	OHODYQNQCJWMGH-UHFFFAOYSA-N	293.392	2.862	70	20	CFID	
C[C@H](c1cnn(-c2ccccc2)c1)S(=O)(=O)Cl	148331717	VFWHKDFTUNFLLZ-SECBINFHSA-N	270.741	2.502	70	20	CFID	
CNCCCN(C)Cc1ccc(Cl)c2cccnc12	160382998	RZLHPCITRVAHTN-UHFFFAOYSA-N	277.799	2.930	70	20	CFID	
CCCc1ccc(C(=O)NCC(N)(CC)CC)cc1	160527349	CEFQPPOAFVQXLY-UHFFFAOYSA-N	262.397	2.886	70	20	CFID	
COc1cc(F)c(C(=O)NC2CCCCC2)cc1OC	161123422	CDUMTNTUUGSWBK-UHFFFAOYSA-N	281.327	2.905	70	20	CFID	
O=C1CCCN1c1ccc(OCc2nccs2)cc1	161195304	UXENLAZEOVGYGC-UHFFFAOYSA-N	274.345	2.849	70	20	CFID	
Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ncn1	161199916	KKRJWGABHICXAY-UHFFFAOYSA-N	279.246	2.639	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1	161387585	IDHLUMNYHXAYCZ-HZPDHXFCSA-N	286.419	2.885	70	20	CFID	
COCC(C)(C)C(=O)NCCOc1ccccc1Cl	161474087	FZAQUHGKTHNOMA-UHFFFAOYSA-N	285.771	2.508	70	20	CFID	
CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCCNC1	160096844	WXJKOSUJOBOAHK-OAHLLOKOSA-N	292.398	2.606	70	20	CFID	
COc1cc(C)cc(CNC(=O)NC[C@H]2CCCS2)c1	160174153	IYDNZBUQKCZZCZ-CQSZACIVSA-N	294.420	2.698	70	20	CFID	
CC(C)[C@H]1CCCC[C@@H]1NCc1cc(=O)n2ccccc2n1	160356379	IMRPBCLVHXSQDE-CVEARBPZSA-N	299.418	2.999	70	20	CFID	
Cc1cc(C)c(CNC(=O)[C@H]2CCn3ccnc3C2)c(C)c1	159405657	DWZGNUKGCLFGSI-HNNXBMFYSA-N	297.402	2.687	70	20	CFID	
Cc1cccc(C)c1CCNC(=O)N[C@H](C)[C@H]1CCCO1	159802002	LDBCLBPHXGCFIB-GDBMZVCRSA-N	290.407	2.713	70	20	CFID	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CCCCCCN	159665638	LUOFDYQWSZKDIL-GOEBONIOSA-N	298.471	2.853	70	20	CFID	
C[C@H](CCn1cccn1)N[C@@H]1CC(C)(C)OC1(C)C	159495383	KMHHXOUACPNYHM-CHWSQXEVSA-N	265.401	2.597	70	20	CFID	
CCC(C)(CC)C(=O)Nc1cncc(-c2nncn2C)c1	159505074	NLWWYJLOVMUOOQ-UHFFFAOYSA-N	287.367	2.642	70	20	CFID	
C[C@H](CN1CCCC1=O)NCc1ccc(Cl)cc1F	160780142	GQZZQTOUYIZMQB-SNVBAGLBSA-N	284.762	2.580	70	20	CFID	
Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)o1	122976450	RWWBXAXEGUQRPR-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H]2CNC[C@@H]21	216653323	AIHNJGNCAPXUGM-SKDRFNHKSA-N	299.296	2.531	70	20	CFID	
CCc1ncnc(N[C@@H]2CC[C@H](SC)C2)c1F	218045682	UXHUUIPNSMIGMJ-BDAKNGLRSA-N	255.362	2.874	70	20	CFID	
C[C@H](CNCc1cccc2c1NCCC2)N(C)C1CC1	217557977	HLQAYRNTKWTYBB-CYBMUJFWSA-N	273.424	2.617	70	20	CFID	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CCNCC2)C1	161046033	GVALUMOKBICBFY-LRDDRELGSA-N	290.382	2.735	70	20	CFID	
C[C@@H](CNC(=O)NC1(C)CCC1)Oc1ccccc1	161232149	GBQSDYHHOALFFZ-LBPRGKRZSA-N	262.353	2.696	70	20	CFID	
CC1(C(=O)N2CCC2)CCN(Cc2ccccc2)CC1	161507496	YHKDMGBUGGTMCO-UHFFFAOYSA-N	272.392	2.521	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1ccc(OC)cc1	160341935	GSVVUHNXEKFDIA-UHFFFAOYSA-N	295.360	2.528	70	20	CFID	
CCOCC[S@@](=O)c1ncc(C(C)(C)C)s1	160483098	KIUAEDOTGZWRRT-INIZCTEOSA-N	261.412	2.585	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2ccc(C)cc2[nH]1	160621262	GBMJHTNAHOUNQM-NSHDSACASA-N	288.347	2.548	70	20	CFID	
CC(C)(C)c1nc(CCNC(=O)[C@@H]2CCCOC2)cs1	160692866	ISIYWBKLQVQVEL-LLVKDONJSA-N	296.436	2.526	70	20	CFID	
CC[C@H](CNC(=O)C(C)(C)COC)c1ccccc1	160705077	UBEICNSPZIIJQS-CYBMUJFWSA-N	263.381	2.969	70	20	CFID	
C[C@H]1C[C@@H](NC[C@@H](C)N(C)Cc2ccccc2)CCN1C	160854086	HIRSDHJIBOWGSQ-JZXOWHBKSA-N	289.467	2.579	70	20	CFID	
C[C@@H]1CC[C@@H](CC(=O)NCC2(N)CCCCC2)C1	159647102	OFZUCWQUXRYDDO-CHWSQXEVSA-N	252.402	2.591	70	20	CFID	
CC[C@@H]1CCCN(C(=O)NCCc2cscn2)CC1	159495272	ITQXMANDWPZYBF-GFCCVEGCSA-N	281.425	2.907	70	20	CFID	
CCCc1noc(CN(C)OCc2ccccc2)n1	159641024	MFDKDKGCFCJIGN-UHFFFAOYSA-N	261.325	2.586	70	20	CFID	
CCc1ncnc(N[C@@H]2CC[C@@H](SC)C2)c1F	218045519	UXHUUIPNSMIGMJ-RKDXNWHRSA-N	255.362	2.874	70	20	CFID	
CSCCN(C)[C@@H]1CCCN(c2ccccc2F)C1=O	161375231	HWBARQFPCGTMEF-CQSZACIVSA-N	296.411	2.616	70	20	CFID	
COc1ccc(NC(=O)c2cnc3c(c2)ncn3C)c(C)c1	160334900	PITWNJKDCXJDGT-UHFFFAOYSA-N	296.330	2.538	70	20	CFID	
CCCOC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1	160369032	ZQKOXDHDOROARN-WFASDCNBSA-N	295.354	2.541	70	20	CFID	
CC(C)(N)C(=O)NCCc1cccc(-c2ccccc2)c1	160509513	HCQJKHPZGFJLJQ-UHFFFAOYSA-N	282.387	2.750	70	20	CFID	
COCC(C)(C)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	160728039	QFISGIDGHZFNKU-SOUVJXGZSA-N	273.376	2.504	70	20	CFID	
Cc1c(C(=O)Nn2cnc3ccccc32)cnn1CC(C)C	160914154	PSCNGCHDGGZNKU-UHFFFAOYSA-N	297.362	2.581	70	20	CFID	
CCc1ccc([C@@H](CO)Nc2ccc3nccnc3n2)cc1	160919874	VHMMOUKEZNNSIZ-OAHLLOKOSA-N	294.358	2.733	70	20	CFID	
c1ccc(CN2CCC(N[C@H]3CCCSC3)CC2)nc1	159520106	SNFIFWGFJZDPOX-INIZCTEOSA-N	291.464	2.531	70	20	CFID	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H](C)c1nccs1	159797254	OHNUYHOBBXLNLX-RKDXNWHRSA-N	292.408	2.506	70	20	CFID	
CCCN(CC)CCN[C@@H](C)C[C@@H]1CCCCCN1	217731948	NFOOHGLECVZTPI-HOTGVXAUSA-N	269.477	2.619	70	20	CFID	
CO[C@]1(CNc2nc(Cl)nc3ccccc23)CCOC1	161055664	IYPAVJOHMRHBDJ-AWEZNQCLSA-N	293.754	2.501	70	20	CFID	
C[C@H](CO[C@H]1CCCC[C@H]1C)CS(=O)(=O)Cl	112159551	XAVLNPXBRKQVDY-MXWKQRLJSA-N	268.806	2.786	70	20	CFID	
O[C@H](CN1CCO[C@@H]2CCC[C@H]21)c1cc2ccccc2o1	216957010	FWXCWSRCMYGVCG-IIAWOOMASA-N	287.359	2.720	70	20	CFID	
O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)F)cc1	185106391	IGJIUVCMKQAYQH-UHFFFAOYSA-N	299.348	2.588	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@H]1CCCc2ccccc21	161181138	NFGISXVXQPIZKT-OAHLLOKOSA-N	288.435	2.988	70	20	CFID	
C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)CCCCCO	161209354	BACQKYGKXSVBJE-NSHDSACASA-N	290.812	2.978	70	20	CFID	
O=c1onc(-c2cccnc2)n1Cc1cccc(Cl)c1	161321531	PQCDZDJXVPPXMF-UHFFFAOYSA-N	287.706	2.600	70	20	CFID	
CCC[C@@H](C)CC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2	161360277	LTCCZWMUXRZTRM-HABKJSAYSA-N	252.402	2.554	70	20	CFID	
Cc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1F	161384154	GYRJKQLORFYQLR-UHFFFAOYSA-N	287.290	2.793	70	20	CFID	
OCCn1nc(-c2ccccc2)nc1-c1ccccc1	160012977	WQEIKUNPEDTYRO-UHFFFAOYSA-N	265.316	2.604	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)NCc1ccc(C(N)=O)o1	160226343	WHTKYBWCACRVRL-NSHDSACASA-N	292.379	2.601	70	20	CFID	
CSC[C@H](CCO)N[C@H](C)c1ccc(F)cc1	160355788	ZWYXWWXPYOJYKD-MFKMUULPSA-N	257.374	2.590	70	20	CFID	
CC[C@@H](OC1CCCC1)C(=O)NCCCC(C)(C)CO	160371669	AQNMTMMNQKDNEK-CQSZACIVSA-N	285.428	2.639	70	20	CFID	
O=[S@](Cc1nccs1)c1cc(F)ccc1F	160646902	WHQCQVORIBGJCR-INIZCTEOSA-N	259.302	2.729	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCc1ccc(CC)cc1	160791097	SFYWLAUHCGAWOM-ZDUSSCGKSA-N	291.391	2.640	70	20	CFID	
CC(C)[C@@H](NC(=O)[C@@H](C)N)c1ccccc1Cl	160829636	VHLDHUPSFIXELI-BXKDBHETSA-N	254.761	2.501	70	20	CFID	
Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	160982461	VKGXYSCHUUWRRL-ZIAGYGMSSA-N	299.374	2.650	70	20	CFID	
Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)ccc1Cl	159835362	QVCLMHQHIFXWJO-UHFFFAOYSA-N	276.723	2.897	70	20	CFID	
Cc1cc(C)cc(CCN[C@H](C)c2cnn(C)c2)c1	159478367	BRNLKNDKXNNTTN-CQSZACIVSA-N	257.381	2.930	70	20	CFID	
c1ccc(C[C@@H]2CCCN2CCn2ccnc2)cc1	159708592	RBBSJSMRGUEZOP-INIZCTEOSA-N	255.365	2.590	70	20	CFID	
CC[C@@H](NC(=O)[C@H]1CCCCN1)c1ccc(F)cc1F	159725917	MLORBGCQOHISPZ-ZIAGYGMSSA-N	282.334	2.674	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1	159793320	WDEDWESAYOBUTK-RFQIPJPRSA-N	281.396	2.661	70	20	CFID	
CC1(C)C[C@H](N[C@H]2CCO[C@@]3(CCSC3)C2)CCO1	218656298	LJIKWAOLQXKCGA-IPYPFGDCSA-N	285.453	2.588	70	20	CFID	
CC[C@@H]1CO[C@H](C)CN1C[C@@H](O)c1cc2ccccc2o1	216972061	RSZWYTFDHSCRNK-BPLDGKMQSA-N	289.375	2.966	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cccc(F)c1	185105374	GLLHDPKCDFJUPU-UHFFFAOYSA-N	297.282	2.736	70	20	CFID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)cs1	1337361428	RHHRIGNXACFEMS-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1262732854	WZYWFLOJKANVFM-NXEZZACHSA-N	287.356	2.509	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1nc(C)cs1	161042022	KUHBHLMUDOQPJQ-QGZVFWFLSA-N	270.379	2.618	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@]1(C)CCCO1	161138765	UMBUUANVFABIHK-IPYPFGDCSA-N	253.386	2.983	70	20	CFID	
C[C@H](CC(=O)N(C)CCc1cccs1)C1CCNCC1	161395324	VPLQJBJNUQHNGC-CYBMUJFWSA-N	294.464	2.775	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)CC(C)C	160002695	PDZYQQABFUIARZ-SECBINFHSA-N	271.792	2.800	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)N[C@H]2COc3ccccc3C2)C1	160517949	XVXFTOZLBAJCOV-NWANDNLSSA-N	273.376	2.933	70	20	CFID	
CCN(c1ncnc2c1cnn2C(C)(C)C)C(C)C	160734650	RUCMETCKSLIRQB-UHFFFAOYSA-N	261.373	2.816	70	20	CFID	
O=C(C[C@@H]1CCCN1)Nc1cccc(CC(F)(F)F)c1	160804660	FWVPOAYEPCOHOT-NSHDSACASA-N	286.297	2.872	70	20	CFID	
Cc1cc(NC(=O)[C@H]2CC[C@H](N)C2)ccc1OC(C)C	160903153	GXWWLECUFNRQQP-STQMWFEESA-N	276.380	2.848	70	20	CFID	
CC(C)NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1	160936666	YALSFBGOPZGLJN-CQSZACIVSA-N	297.402	2.924	70	20	CFID	
Cc1cncc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1	160233671	DETSYUYOSOHCQJ-BBRMVZONSA-N	282.391	2.717	70	20	CFID	
CC[C@]1(C(=O)N[C@@H](C)C2CCCCCC2)CCNC1	160639456	GLAYFAOWCUZSOM-BBRMVZONSA-N	266.429	2.851	70	20	CFID	
CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)cc1	161395235	AXSIILLTXPJCAB-CABCVRRESA-N	260.381	2.810	70	20	CFID	
Cc1ccccc1N(CC(=O)NCC(C)C)C(C)C	216925369	GUFIVRZMKUZYEF-UHFFFAOYSA-N	262.397	2.982	70	20	CFID	
C[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241593	YQTZZKYCHWGBNS-NSHDSACASA-N	299.367	2.607	70	20	CFID	
CC[C@H](C(=O)N1CCO[C@@H](C)[C@@H]1C)c1ccc(F)cc1	161184697	XAELQXYSLCMYSC-HUBLWGQQSA-N	279.355	2.955	70	20	CFID	
COc1cc(C)cc(CNC(=O)C2=C(C)OCCC2)c1	161342081	PTJDECMRHMIDOV-UHFFFAOYSA-N	275.348	2.704	70	20	CFID	
COCc1ccccc1CNC(=O)Nc1ccc(C)nc1	161509212	OGZJLJVPSKXQCJ-UHFFFAOYSA-N	285.347	2.858	70	20	CFID	
CCOC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C2CC2)C[C@@H]1C	161510018	YIBFKLQWWFSYLO-CDGCEXEKSA-N	253.386	2.742	70	20	CFID	
CC(C)c1ccc(C[C@H](C)NC(=O)NC[C@H](C)CO)cc1	160070255	BJPJXMOZMKRSHT-KBPBESRZSA-N	292.423	2.669	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)o1	160421711	YTPASTQOPFHZDV-SJXIGLKTSA-N	290.407	2.796	70	20	CFID	
CCC(=O)Nc1ccc(NC(=O)NC[C@@H](C)SC)cc1	160509991	IYMNVYRQLZGCQH-SNVBAGLBSA-N	295.408	2.908	70	20	CFID	
CN(C(=O)c1c(F)cccc1F)c1ccc2c(c1)OCO2	160590197	VATRYPQWPDUGOD-UHFFFAOYSA-N	291.253	2.970	70	20	CFID	
O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccc2[nH]cnc2c1	160611709	OIQKKPGRDZBFKY-IAOVAPTHSA-N	289.338	2.631	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)CCc2cc(Cl)cs2)C1	160804283	MEBSYIGZVFIWCA-WDEREUQCSA-N	286.828	2.720	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](C)OC1CCCCCC1	160791920	HFNBGXSTIVIGLJ-KGLIPLIRSA-N	285.428	2.638	70	20	CFID	
CCS[C@H](C(=O)Nc1cccc(F)n1)C(C)C	160886653	MUJKAYHNGIKCKY-NSHDSACASA-N	256.346	2.937	70	20	CFID	
CSCC[C@H](N)C(=O)NCCCCC1CCCC1	160901207	KZRBUUXBCYZYNQ-ZDUSSCGKSA-N	272.458	2.544	70	20	CFID	
Cc1sc2ncnc(SCc3nncn3C)c2c1C	160963749	VJUSWGSDKAWSRT-UHFFFAOYSA-N	291.405	2.729	70	20	CFID	
COCc1csc(NC(=O)N(C)CCC2CC2)n1	159408259	WSMBQWOBCVBPFE-UHFFFAOYSA-N	269.370	2.553	70	20	CFID	
CCN(C(=O)[C@@H](C)N(C)Cc1cccnc1)c1ccccc1	159829639	PYZDRBZHQQGRRM-OAHLLOKOSA-N	297.402	2.955	70	20	CFID	
Cc1occc1C(=O)N(C)CCOCc1ccccc1	159433688	DMAMOWNFCIDGNO-UHFFFAOYSA-N	273.332	2.877	70	20	CFID	
CC1(C)COCCN1C(=O)Cc1ccc(F)cc1Cl	159444049	PYKCXRSMGKYPBP-UHFFFAOYSA-N	285.746	2.659	70	20	CFID	
COC(=O)c1ccc(CSCc2nc(C)no2)s1	159681433	VNOTWFMKPKBCRD-UHFFFAOYSA-N	284.362	2.660	70	20	CFID	
Cc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)c(O)c1	159554147	NUEDNSGUPQIRHI-UHFFFAOYSA-N	297.236	2.762	70	20	CFID	
C/C=C/C=C/C(=O)N(C)CCOCc1ccccc1	159381698	WKUCFXMWEIAMNS-HFBSYCRKSA-N	259.349	2.794	70	20	CFID	
Cc1nccnc1N[C@@H]1CCCc2cc(N)ccc21	159502787	QNQWOJDBCRLHSS-CQSZACIVSA-N	254.337	2.857	70	20	CFID	
c1ccc2c(c1)CC[C@@]21CN(Cc2nccs2)CCO1	159627097	YRNBWIPYAWYYTA-MRXNPFEDSA-N	286.400	2.817	70	20	CFID	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)Nc1ccc(S(=O)(=O)F)cc1	460088726	CZFXLRUXEKMDAU-OUJBWJOFSA-N	297.351	2.720	70	20	CFID	
CC[C@@H](C)NC(=O)CCNCc1cccc2cc[nH]c12	218145863	WDQCNRJOYZQOHE-GFCCVEGCSA-N	273.380	2.562	70	20	CFID	
Cn1cnnc1CSc1ncc(-c2ccc(F)cc2)o1	161014885	YZGPFDNKNDOLHN-UHFFFAOYSA-N	290.323	2.902	70	20	CFID	
COCCn1nc(C)c(NC(=O)c2cc(C)c(C)o2)c1C	161052494	JKTOIKFRAGLMPT-UHFFFAOYSA-N	291.351	2.608	70	20	CFID	
CCC(CC)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161285673	LMJQFPZQPZIIDU-ZDUSSCGKSA-N	298.427	2.938	70	20	CFID	
CCN(CC)Cc1cccc(NC(=O)c2cc(C)ncn2)c1	161502714	UPBWPINERSHQKB-UHFFFAOYSA-N	298.390	2.879	70	20	CFID	
CC[C@@H](SC)C(=O)N(C)c1ccc2c(c1)OCO2	160094978	BWJNMDHKNSDKTJ-GFCCVEGCSA-N	267.350	2.520	70	20	CFID	
Cc1cc(NC[C@](C)(O)c2ccccc2Cl)ncn1	160150703	DTMNPENWYIJIEJ-AWEZNQCLSA-N	277.755	2.758	70	20	CFID	
Cc1nnc(NC[C@@](C)(O)c2ccccc2Cl)s1	160151917	PBKDBGUURJIEAY-GFCCVEGCSA-N	283.784	2.820	70	20	CFID	
CNC(=O)c1ccc(NC(=O)c2ccoc2C)c(Cl)c1	160289526	SUZMVPFDALHWPN-UHFFFAOYSA-N	292.722	2.853	70	20	CFID	
CCC(N)(CC)CNC(=O)C1(c2ccccc2C)CC1	160426795	QOBDGINYDJECQF-UHFFFAOYSA-N	274.408	2.660	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cc(F)cc(F)c1	160453916	DOWTZTPFQGTESK-UHFFFAOYSA-N	286.322	2.885	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccc(F)cc1OC	160633914	MKLUCSPAKRKGSL-UHFFFAOYSA-N	298.358	2.755	70	20	CFID	
CCCC(=O)N1CCC[C@H](C(=O)NCC2(CCC)CC2)C1	160675808	JPWVMMSPGOWWOJ-AWEZNQCLSA-N	294.439	2.722	70	20	CFID	
CS[C@H](C)CC(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1	160777918	UZHWYGPDGNDEKL-NFAWXSAZSA-N	286.485	2.755	70	20	CFID	
CCc1cnc(CNC(=O)C[C@@H](C)c2ccncc2)s1	160777978	CYQIIHAXQMGMDU-LLVKDONJSA-N	289.404	2.911	70	20	CFID	
C[C@H](NC(=O)N[C@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cccnc1	160785097	IUKKBFHJYPNNRN-SPOWBLRKSA-N	293.370	2.780	70	20	CFID	
CC(C)c1cc(=O)n(Cc2nc3ccc(F)cc3o2)cn1	160924674	YFLYAVXSHVQNPK-UHFFFAOYSA-N	287.294	2.695	70	20	CFID	
CS[C@H](C)CC(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1	159483036	WMDONZQCJWQEGT-HZSPNIEDSA-N	286.485	2.612	70	20	CFID	
CCc1cc(NC(=O)NCCCC(C)(C)C)n(C)n1	159488967	GSCVYXZSYPQRTH-UHFFFAOYSA-N	266.389	2.930	70	20	CFID	
CC(C)C(=O)NCCCN[C@H](C)c1cc(F)ccc1F	159999643	TWEGJKWCEZIMMF-LLVKDONJSA-N	284.350	2.778	70	20	CFID	
CCN(C(=O)NCC1(CCOC)CC1)[C@@H](C)C(C)C	161033998	QNPXSAXVVRABPO-ZDUSSCGKSA-N	270.417	2.879	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)N(C(C)C)C(C)C	161077822	CBKKOVAZLBTGHI-HNNXBMFYSA-N	291.439	2.937	70	20	CFID	
C[C@@H](NC(=O)NO[C@H]1CCCCO1)c1ccccc1	161121005	HRCNDAUCCUYCDO-YPMHNXCESA-N	264.325	2.505	70	20	CFID	
CCO[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2F)C1	161149089	YTHOTSGLYKCOLW-ZDUSSCGKSA-N	294.370	2.533	70	20	CFID	
CC(C)c1ccccc1NC(=O)CN1CCC(C)(O)CC1	161212182	NERZZORKKWKZGP-UHFFFAOYSA-N	290.407	2.595	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCc2ccc(F)cc2C1	161480266	OXVSWWPPBZTILL-BZNIZROVSA-N	289.350	2.716	70	20	CFID	
CCN(CC)[C@@H](C)CNC(=O)c1cnc(C(C)C)s1	161509832	INHJSIXBYLUAFE-NSHDSACASA-N	283.441	2.727	70	20	CFID	
CC(C)Oc1ccc(CN[C@H](C)C2CCOCC2)cn1	160108157	IXKQZQZANKTTJQ-CYBMUJFWSA-N	278.396	2.774	70	20	CFID	
C[C@@H](CCO)NC(=O)N[C@H](C)CCC1CCCCC1	160139421	CXYUCDWVPZUVMM-OLZOCXBDSA-N	270.417	2.806	70	20	CFID	
COC(=O)C1(NC(=O)C2CCC(C)(C)CC2)CCCC1	160161543	HLSDAWAYWVDXCY-UHFFFAOYSA-N	281.396	2.805	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CCN(CC(C)C)C1	160245696	RZSDLGJUTDZXFG-CABCVRRESA-N	283.460	2.698	70	20	CFID	
Cc1nc(C)c(C)c(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160387027	XYPGVIMECUHOAY-ZIAGYGMSSA-N	261.369	2.771	70	20	CFID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1C=CCCC1	160446301	MBJAGEHALKWMQG-VIFPVBQESA-N	288.273	2.676	70	20	CFID	
Cc1cccn2c(CN[C@@H]3CCOC(C)(C)C3)cnc12	160456301	MQYJZDAPIOPDEY-CYBMUJFWSA-N	273.380	2.690	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](C)Cc1cccc(F)c1	160691569	XVPGHLQEOLHPLO-WFASDCNBSA-N	281.371	2.528	70	20	CFID	
CCc1ccc([C@@H](CNC(=O)C2(C)CC2)N(C)C)cc1	159652146	ZUBLWMWIXPDIOU-OAHLLOKOSA-N	274.408	2.768	70	20	CFID	
COCCC1(C(=O)Nc2nc(C(C)=O)cs2)CCCC1	159969045	VGHMRWFMTULHHU-UHFFFAOYSA-N	296.392	2.881	70	20	CFID	
Cn1c(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccc21	159571609	UETVFZYZLOFARS-DQYPLSBCSA-N	297.402	2.621	70	20	CFID	
C[C@@H](c1ccco1)N(C)C(=O)c1cccc(-c2ncn[nH]2)c1	159780196	DKKLMBSULCJKHW-NSHDSACASA-N	296.330	2.898	70	20	CFID	
CC1(C)C[C@H](NCc2ccn(-c3ccccc3)n2)CCO1	159993315	XJEZQBJFYQTYAN-CQSZACIVSA-N	285.391	2.920	70	20	CFID	
CCc1ccc([C@@H](C)NCCCCS(C)(=O)=O)cc1	161197615	KEFFXOQRXDACIV-CYBMUJFWSA-N	283.437	2.724	70	20	CFID	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2CO)o1	218054493	UMSYHTWJDONMIX-RJZRQDKASA-N	291.391	2.613	70	20	CFID	
C#CCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675243	HPCCHXQKXMCVTQ-UHFFFAOYSA-N	297.351	2.785	70	20	CFID	
C[C@H](C(=O)N1CCc2c(F)cccc2C1)C1CCOCC1	161041726	AFHREEXHPIITHG-LBPRGKRZSA-N	291.366	2.773	70	20	CFID	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CCNCC2)C1	161045917	GVALUMOKBICBFY-WBMJQRKESA-N	290.382	2.735	70	20	CFID	
CC(C)NCCC(=O)NCC(C)(C)Cc1ccccc1	161075773	RNSOFZFHMINDDF-UHFFFAOYSA-N	276.424	2.760	70	20	CFID	
CC[C@@H](NC(=O)CCNC(C)C)c1ccc(F)cc1F	161208472	XWRHXLVSJJVHDB-CQSZACIVSA-N	284.350	2.920	70	20	CFID	
CC[C@@H](NC(=O)Cc1ccc(C)nc1)c1c(C)noc1C	160070843	NZIYYTWIORXJDD-CQSZACIVSA-N	287.363	2.805	70	20	CFID	
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccncc1	160139592	SFZCELFYMQZIGS-XJKSGUPXSA-N	287.407	2.666	70	20	CFID	
CC(C)(C)c1cnc(SCCn2ccnc2)o1	160179686	YKGCOSYIUBXLNA-UHFFFAOYSA-N	251.355	2.961	70	20	CFID	
C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)C[C@@H]1C	160226214	OTKSPZBQBATVLK-BQBZGAKWSA-N	290.339	2.986	70	20	CFID	
CC1=C(C(=O)NCCc2cccc(F)c2)CCCO1	160235004	XZFKPVAMKHDOCH-UHFFFAOYSA-N	263.312	2.569	70	20	CFID	
CSC[C@@H](CCO)N[C@H](C)c1ccc(F)cc1	160356029	ZWYXWWXPYOJYKD-ZWNOBZJWSA-N	257.374	2.590	70	20	CFID	
O=C1[C@H](Oc2cccc(F)c2)CCCN1CC(F)(F)F	160531816	ZTQRUQPEOWDZIT-LLVKDONJSA-N	291.244	2.758	70	20	CFID	
CC[C@@H](NCC(=O)NC(C)C)c1cc(Cl)ccc1OC	160923180	ROAKDUHFJZURGI-CYBMUJFWSA-N	298.814	2.914	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)N(C)Cc1nccn1C	159813295	NHXUURVEQNOBQM-AWEZNQCLSA-N	293.411	2.506	70	20	CFID	
CC1(CNC(=O)NCc2ccc(O)c(F)c2)CCCC1	159471454	XUIVCJITDBUUHL-UHFFFAOYSA-N	280.343	2.911	70	20	CFID	
CNc1nc(CNc2nc(C(C)(C)C)ns2)cs1	159676140	BAFKTHKWVOGFOT-UHFFFAOYSA-N	283.426	2.946	70	20	CFID	
Cc1cc(Cl)ncc1NC(=O)N[C@H](CO)CC(C)(C)C	159481035	TZGYCBOTPDZBIS-JTQLQIEISA-N	299.802	2.962	70	20	CFID	
CC[C@@H](NC[C@H](C)N1CCc2ccccc21)c1cnn(C)c1	159903486	RDDKSSAIUYDYJA-WMLDXEAASA-N	298.434	2.912	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCN(C)C1	159908601	SRSXZNCRILLGQH-CYBMUJFWSA-N	280.799	2.815	70	20	CFID	
CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](CN)C1CC1	159800831	JHKWVZPIJRYQNY-LBPRGKRZSA-N	286.297	2.515	70	20	CFID	
Cc1noc(CNc2cc(F)ccc2Br)n1	159615586	JNGALSLVFZBYOZ-UHFFFAOYSA-N	286.104	2.892	70	20	CFID	
C[C@H]1C[C@@H](Nc2cnccn2)CN1Cc1ccccc1	160930840	MSQYLGMPNVDXRE-DZGCQCFKSA-N	268.364	2.552	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@@H](C)C1CC1	1336617425	STQNKGCVEOMRKF-JTQLQIEISA-N	299.367	2.524	70	20	CFID	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	218249351	QGDRFSKMSNCXGD-QWRGUYRKSA-N	297.424	2.803	70	20	CFID	
CC[C@@H](CC(=O)NC[C@@H]1CCOC1)c1ccc(OC)cc1	161112445	POFCTRBXDHKZPT-KBPBESRZSA-N	291.391	2.732	70	20	CFID	
CC(=O)NC1CCC(Nc2ccc(F)c(C)c2)CC1	161113986	VKXNCDNXUQUDMA-UHFFFAOYSA-N	264.344	2.993	70	20	CFID	
CC(C)(C)[C@@H](CCO)NC(=O)NC1CCCCCC1	161155276	OPZIQDRPEDTBBV-CYBMUJFWSA-N	270.417	2.806	70	20	CFID	
C[C@@H](CNC(=O)CCCCCCN)Oc1ccccc1F	161158956	IJYLGFOUQWYIST-ZDUSSCGKSA-N	296.386	2.618	70	20	CFID	
CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](CO)CC(C)C	161191734	WGIVUFUDNHQAHK-GDBMZVCRSA-N	293.407	2.676	70	20	CFID	
COc1cc(OC)c(NC(=O)CCCCCCN)cc1F	161209079	BDGLNKRPWZJNSO-UHFFFAOYSA-N	298.358	2.691	70	20	CFID	
COC[C@@H](NC(=O)C[C@H](C)c1ccncc1)c1ccco1	161213393	BAFQFBRLKGEQQU-GXTWGEPZSA-N	288.347	2.672	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@@H]2C)n1	161239140	KIPBKELJUBDYBE-ONGXEEELSA-N	270.336	2.629	70	20	CFID	
Cc1ccc(C(=O)N2CCc3c(Cl)cccc32)c(=O)[nH]1	161490372	RBLBCOFZKBGOQN-UHFFFAOYSA-N	288.734	2.540	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)CO[C@@H]1CCC[C@@H](C)C1	161501278	OAEFVIWQFYVCPH-YIYPIFLZSA-N	253.386	2.981	70	20	CFID	
CCOC(=O)C1(C(=O)Nc2nc(C3CC3)cs2)CCC1	160552199	PEGDBWCJFPFXMN-UHFFFAOYSA-N	294.376	2.692	70	20	CFID	
CN(C(=O)Cc1ccsc1)c1ccc2c(c1)OCO2	160602557	IXPLFTGKCZFRPC-UHFFFAOYSA-N	275.329	2.682	70	20	CFID	
C[C@@H](NCCCCN1CCC[C@@H]1CO)c1cccc(F)c1	160741302	SZSGAMISKVPBHO-RHSMWYFYSA-N	294.414	2.713	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)N[C@@H](C)C(C)C	159401935	QGQHVENGJGENLD-ZDUSSCGKSA-N	278.396	2.682	70	20	CFID	
COc1ccc(N(C)C(=O)c2oc(C)nc2C)cc1F	159860196	DUOYZLHMFKTJMT-UHFFFAOYSA-N	278.283	2.716	70	20	CFID	
Cc1cccc([C@@H](C)C(=O)NCCN2CCCCC2)c1	159892003	YPIYWGQUKVDMAJ-OAHLLOKOSA-N	274.408	2.701	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CCc1nnc(C(C)C)o1	159703246	UQHBYEHAAIRVAP-RYUDHWBXSA-N	279.384	2.821	70	20	CFID	
C1CC[C@H](c2noc(CC[C@@H]3CCCNC3)n2)SC1	160644179	ODZOFKHJLPNLGE-NWDGAFQWSA-N	281.425	2.960	70	20	CFID	
CCc1noc2ncc(C(=O)O[C@H](C)C3CC3)cc12	216868696	DXPNKYDHCLKUJH-MRVPVSSYSA-N	260.293	2.741	70	20	CFID	
CCc1ccc(CCN2[C@H]3CC[C@H]2CC(=O)C3)cc1	217670953	QVFLYGJGEZNBMN-HOTGVXAUSA-N	257.377	2.987	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc[nH]2)n1	161002497	LWYQKVOYTZIIMV-UHFFFAOYSA-N	281.319	2.615	70	20	CFID	
Cc1ccccc1[C@@H](C)NC(=O)NO[C@@H]1CCCCO1	161103504	YNEVYWLGJPNTOR-TZMCWYRMSA-N	278.352	2.813	70	20	CFID	
CCC[C@@H]1CCCN(C(=O)NCCN(CC)CC)C1	161482792	SPIXBWWLBATFQW-CQSZACIVSA-N	269.433	2.550	70	20	CFID	
COCCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	160207808	GWUJRTDXRNQYTH-KRWDZBQOSA-N	284.359	2.632	70	20	CFID	
O=C(Nc1ccccc1N1CCC(CO)CC1)C1CCC1	160321120	VDEWPSITOUSNFH-UHFFFAOYSA-N	288.391	2.634	70	20	CFID	
C[C@H](C(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccsc1	160321706	UBQCYCUPWOUAKN-VIFPVBQESA-N	286.356	2.985	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc2c(c1)CCC2	160605046	DOGJCEUBTNLRJJ-UHFFFAOYSA-N	268.360	2.786	70	20	CFID	
Cn1ccnc1CN1CCn2cccc2[C@@H]1c1ccccc1	160763318	VCQMFRNIZMTOMN-SFHVURJKSA-N	292.386	2.827	70	20	CFID	
CCC(CC)n1nccc1C(=O)N(C)Cc1ccncc1	160818160	STHZKOLDJILCNE-UHFFFAOYSA-N	286.379	2.911	70	20	CFID	
CC[C@H](C)OCC(=O)N1CCc2c(F)cccc2C1	160890380	RIYSDKBCLHEEMS-NSHDSACASA-N	265.328	2.526	70	20	CFID	
NC1(CNC(=O)CCCOc2ccccc2)CCCCC1	159459042	QBPAINBPEFHXJF-UHFFFAOYSA-N	290.407	2.623	70	20	CFID	
CC(C)(C)c1nsc(NCCOc2cccnc2)n1	159484129	TZGXRAQCIHJRMT-UHFFFAOYSA-N	278.381	2.722	70	20	CFID	
C[C@H]1CC(=O)CC[C@H]1C(=O)N[C@H]1CCC[C@@H](C)C1	159882830	CZWRLPPDJSGKQL-OWTLIXCDSA-N	251.370	2.687	70	20	CFID	
CS[C@H](C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C	159381166	WOKKLULZZAVVMT-YNEHKIRRSA-N	273.442	2.840	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)c1ccnc(OCC(F)F)c1	159778885	ULJRKDUYUGDRMQ-VHSXEESVSA-N	286.322	2.890	70	20	CFID	
CN(Cc1ncc(-c2ccccc2)o1)[C@H](CN)C1CC1	160064579	NFSZLSZSCOQWEP-CQSZACIVSA-N	271.364	2.511	70	20	CFID	
CCSCC[C@@H](C)N[C@H]1CCOC2(CCOCC2)C1	160159866	OMQNOMDQMZXTAL-KGLIPLIRSA-N	287.469	2.836	70	20	CFID	
C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)Cl	108598694	BNWUEFHHYLNKER-ZETCQYMHSA-N	268.165	2.816	70	20	CFID	
C[C@@H]1CCC[C@@H](OCCCCS(=O)(=O)Cl)C1	114257974	LOODIZJLOLDXJT-GHMZBOCLSA-N	268.806	2.931	70	20	CFID	
O=S(=O)(Cl)c1cccc2sc(Cl)nc12	97956498	XSABGBKSSJWSNB-UHFFFAOYSA-N	268.146	2.877	70	20	CFID	
CCCCn1ncc(C(=O)NCCCOCC2CC2)c1C	161205456	BKVUADZHTKFOII-UHFFFAOYSA-N	293.411	2.538	70	20	CFID	
CCCSCC(=O)N[C@H]1CCOC2(CCCC2)C1	160169945	MQBKCKQUZOTOQD-LBPRGKRZSA-N	271.426	2.738	70	20	CFID	
C/C=C(\C=C\C(=O)NC[C@@H](O)c1cccc(F)c1)CC	160332838	AUFJFPGOWUIXAV-YUVIGAQJSA-N	277.339	2.888	70	20	CFID	
CCCCN(C)C(=O)CSc1nc(C)nc(C)c1C	160699351	BPJXIMQMRDLQAP-UHFFFAOYSA-N	281.425	2.752	70	20	CFID	
O=C(CCC1CCCC1)Cn1nnc(-c2ccccc2)n1	159863171	VDBWIGJABZZODC-UHFFFAOYSA-N	284.363	2.880	70	20	CFID	
COCc1cc(C(=O)N[C@@H]2CCCc3sccc32)no1	159877317	LZCKUQJZTAEXHS-LLVKDONJSA-N	292.360	2.690	70	20	CFID	
CC(C)(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)CCC2	159944611	GLNRSEOYCCCVJQ-HNNXBMFYSA-N	275.392	2.702	70	20	CFID	
Nc1cccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)c1	217958660	XCRWTYQCOWDAAV-IUODEOHRSA-N	294.420	2.612	70	20	CFID	
CCOCCC1(CNC(=O)c2ccc(F)nc2)CCC1	161122183	WLFUTZYVYIJULX-UHFFFAOYSA-N	280.343	2.547	70	20	CFID	
O=C(NCCCn1ccc2ccccc21)[C@H]1CCCCO1	161143081	VBQBQEZLYOBZTO-MRXNPFEDSA-N	286.375	2.717	70	20	CFID	
CC(=O)NC1CCC(NCCc2cccc(C)c2)CC1	161403817	JFRUQTUONMMBSS-UHFFFAOYSA-N	274.408	2.574	70	20	CFID	
O=C(C=C1CCC1)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	161475214	JILFSPCLSARNBD-INMHGKMJSA-N	253.345	2.799	70	20	CFID	
CCOC(=O)C(C)(C)c1nc(C2(OC)CCCCC2)no1	160015310	KXNLAQFLFLBYGG-UHFFFAOYSA-N	296.367	2.716	70	20	CFID	
CCc1cc(O)nc(CSCCc2c(C)noc2C)n1	160156859	ZSUPZZOFBWODTP-UHFFFAOYSA-N	293.392	2.825	70	20	CFID	
C[C@H]1CC(NC(=O)NCC2(C3CC3)CCC2)C[C@H](C)O1	160201988	NEDNYGCYXRQXRO-RYUDHWBXSA-N	280.412	2.822	70	20	CFID	
CCOCCC1(CNC(=O)N[C@H]2C=CCCC2)CC1	160268083	CXBFSXUWLMIWBB-ZDUSSCGKSA-N	266.385	2.601	70	20	CFID	
C[C@@H](NC(=O)N[C@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cccnc1	160785219	IUKKBFHJYPNNRN-HSHDSVGOSA-N	293.370	2.780	70	20	CFID	
CC[C@H](COC)N[C@H](CCCO)c1ccccc1	160883875	MLAJPVOYFWJPJU-HUUCEWRRSA-N	251.370	2.515	70	20	CFID	
CC(C)COCCCNC(=O)NC[C@]1(C)CCCS1	159412460	MGPYUKVKYHGMOS-AWEZNQCLSA-N	288.457	2.634	70	20	CFID	
NC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CCCCC1	159467118	IQTVMLBTJJKHDK-HUUCEWRRSA-N	290.382	2.707	70	20	CFID	
CCC[C@@H]1CN(C(=O)NCc2ccc(C)s2)CCO1	159862524	VAIKTUVZVZEOBR-GFCCVEGCSA-N	282.409	2.767	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2C[C@H]2C2CC2)cc1F	159862853	ACBRHKBREJQTRY-RYUDHWBXSA-N	263.312	2.843	70	20	CFID	
Cn1c(SCCOC(C)(C)C)nnc1-c1ccccn1	159554926	QCMWKRRJJSCZPK-UHFFFAOYSA-N	292.408	2.784	70	20	CFID	
CCCSCC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1	159571626	NBJPNJODPYBFAA-HIFRSBDPSA-N	295.448	2.801	70	20	CFID	
COC(=O)c1coc(CNc2ccc(F)c(OC)c2)c1	160146733	BWJQKZYTMHBGIM-UHFFFAOYSA-N	279.267	2.826	70	20	CFID	
CCC(CC)(CN)C(=O)NCC1(CC(C)C)CC1	161258837	CNQOCNIUDXAESG-UHFFFAOYSA-N	254.418	2.694	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)CCSc2ccc(F)cc2)C1	161373236	LRPLQMSBCAHJRN-CHWSQXEVSA-N	296.411	2.694	70	20	CFID	
Cc1cccc(C(=O)N(C[C@H]2CCOC2)C2CC2)c1F	161504735	OPQOHSZFKTUEJB-GFCCVEGCSA-N	277.339	2.775	70	20	CFID	
CCC(C)(C)NC(=O)Nc1ccn(CC(F)(F)F)n1	160604352	AUUYYRPZGCGOFI-UHFFFAOYSA-N	278.278	2.756	70	20	CFID	
CCOC(=O)[C@@H](c1ccccc1)N(C)C[C@@H]1CCCCO1	218171134	PZCSOXCNWVJVIU-JKSUJKDBSA-N	291.391	2.792	70	20	CFID	
CCc1ncnc(NCc2ccc(OC)cc2OC)c1F	217981015	HGPCQISLPHWKFW-UHFFFAOYSA-N	291.326	2.807	70	20	CFID	
NC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1	217595295	QUGWYGWQJJCSEX-PIZKADEWSA-N	278.783	2.693	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1(F)CCCC1	809281822	ZRCWPEOUJNIHGW-UHFFFAOYSA-N	289.303	2.566	70	20	CFID	
CC(C)c1nn(C)cc1-c1ccc(S(=O)(=O)F)cc1	844230485	YXOCJDVPBCXRJY-UHFFFAOYSA-N	282.340	2.869	70	20	CFID	
C/C=C(\C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675220	GVTIRSHDYOIUAZ-XBXARRHUSA-N	271.313	2.558	70	20	CFID	
C[C@@H]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241966	RASKCOSEBIKURW-MNOVXSKESA-N	299.367	2.511	70	20	CFID	
C[C@H](Nc1ncnc2c1CCCC2)C1CCOCC1	217815120	PHOIIHVHLAICIB-NSHDSACASA-N	261.369	2.582	70	20	CFID	
CC(C)COc1cccc(C(=O)N[C@H]2CCC[C@@H](N)C2)c1	161359467	SJBIITWLCSRIIH-CABCVRRESA-N	290.407	2.721	70	20	CFID	
COc1cccc(Cl)c1C(=O)N(C)Cc1cccn1C	160794288	HMACJTLTNCRWLY-UHFFFAOYSA-N	292.766	2.959	70	20	CFID	
COC(C)(C)C[C@H](C)NC(=O)C[C@@H](C)c1ccncc1	160846017	MOLFVCMEAKMLGP-OLZOCXBDSA-N	278.396	2.895	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)[C@H]1CCNC(=O)C1	160925479	WGQIIRJBYVAZNV-NSHDSACASA-N	292.404	2.652	70	20	CFID	
COCC(C)(C)C(=O)N1CC=C(c2ccc(O)cc2)CC1	160980371	BQIGWYSNKNNGPP-UHFFFAOYSA-N	289.375	2.681	70	20	CFID	
CCCCN(C)CCNc1nc(C(C)(C)C)ns1	159445952	IJPQLITVONMPRC-UHFFFAOYSA-N	270.446	2.979	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H]2CC2(Cl)Cl)cc1F	159478478	SEHCWJLIMCNWFH-MRVPVSSYSA-N	292.137	2.991	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159721685	MFVHNVDHLDAEBG-RBSFLKMASA-N	260.381	2.566	70	20	CFID	
CCC[C@@H]1SCCN1C(=O)CCCn1cccc1	159559050	UULYVVDSEABGNL-AWEZNQCLSA-N	266.410	2.970	70	20	CFID	
CCCC(C)(C)NC(=O)Nc1ccnn1C[C@@H]1CCOC1	159773121	DWTRUXMGNJNQFT-LBPRGKRZSA-N	294.399	2.620	70	20	CFID	
CC(C)c1ncc(C(=O)N(C)C[C@@H]2CCCCO2)s1	159586324	KNYOCJKXNVMCJG-NSHDSACASA-N	282.409	2.908	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)C1[C@H]2CCC[C@H]12	159782250	RZTLKCSLMFYFNW-AGIUHOORSA-N	263.381	2.641	70	20	CFID	
CCC[C@@H]1CN(C(=O)N[C@@H]2CCCc3occc32)CCO1	159594348	NUSSEUDZRHVIOA-TZMCWYRMSA-N	292.379	2.868	70	20	CFID	
CC(C)(C)CS(=O)(=O)N[C@@H]1CCCc2cc(N)ccc21	159456628	JXJRQHPEZNQMAT-CQSZACIVSA-N	296.436	2.612	70	20	CFID	
CCC[C@H](CCO)CNC(=O)c1cc2ccccc2[nH]1	161156856	HKXORMJIHYUZOT-GFCCVEGCSA-N	274.364	2.696	70	20	CFID	
CN1CCC[C@H]1CCN1CC[C@H](c2ccccc2)C1	161505155	CHPWRENIQNIVPD-IRXDYDNUSA-N	258.409	2.960	70	20	CFID	
CCc1cc(C(=O)NCCN(CC)C2CC2)cc(Cl)n1	217793080	WVKQVCCSAHRXIT-UHFFFAOYSA-N	295.814	2.512	70	20	CFID	
C[C@@H]1CCC[C@H](CNc2nnnn2-c2ccccc2)C1	217922086	LXFPRDFAAGPZJA-OLZOCXBDSA-N	271.368	2.901	70	20	CFID	
CC(C)Oc1ncccc1NC(=O)N(C)[C@@H]1CCSC1	161236916	ARULGBBZENYEAT-LLVKDONJSA-N	295.408	2.838	70	20	CFID	
CS[C@@H]1CCC[C@@H](NC(=O)NC2(C)CCC2)C1	161342773	PDJMYWYGMADSNU-GHMZBOCLSA-N	256.415	2.902	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)c2cnc3c(c2)ncn3C)cc1	160076572	ZCKKFRBUYJBJAM-LBPRGKRZSA-N	294.358	2.768	70	20	CFID	
C[C@H](CC(=O)N(C)c1ccc2c(c1)OCO2)c1ccncc1	160212103	ICJRRPMKZUPJKT-GFCCVEGCSA-N	298.342	2.967	70	20	CFID	
CCOCCC(=O)N(C)c1ccc(OC)c(Cl)c1	160229949	XLXCUZXMINCDDN-UHFFFAOYSA-N	271.744	2.738	70	20	CFID	
Cc1nc(COC(=O)c2cscn2)c(C)s1	160821616	VOVCRHOCMNBWFK-UHFFFAOYSA-N	254.336	2.573	70	20	CFID	
CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)CCS1	160836592	VFYYLGKJJWRTAP-TZMCWYRMSA-N	278.421	2.929	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C[C@@H](C)c1ccc(F)cc1F	160982956	ACFJTBDPBAGWAO-YPMHNXCESA-N	299.361	2.982	70	20	CFID	
CC(C)[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1	159812845	NOQQKEZABVNVPM-GXTWGEPZSA-N	280.799	2.639	70	20	CFID	
CC[C@H](CC(=O)NCC(F)F)c1ccc(OC)cc1	159421286	JDTRYPYMJMMEIZ-SNVBAGLBSA-N	271.307	2.960	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccn(-c2ccccc2F)n1	159892745	XGJMXQYGELFZIK-UHFFFAOYSA-N	299.349	2.931	70	20	CFID	
CC(C)N1CC[C@H](CNc2nnc(C(F)(F)F)s2)C1	160166910	FMHANQGLFOFLGJ-MRVPVSSYSA-N	294.346	2.699	70	20	CFID	
COc1cc(NC(=O)[C@@H]2CCCCC[C@@H]2N)ccc1F	160329573	GHIPKZBXBPKKQX-YPMHNXCESA-N	280.343	2.680	70	20	CFID	
CC(C)Sc1ccccc1NC(=O)c1ccc(=O)[nH]n1	160887382	JBELFKOYFDNUKC-UHFFFAOYSA-N	289.360	2.523	70	20	CFID	
CC[C@](C)(O)CN1CCC(OCC2CCCC2)CC1	161482340	PVNPQSRQZSYLAY-INIZCTEOSA-N	269.429	2.819	70	20	CFID	
O=C(c1ccccc1)c1ccc(S(=O)(=O)Cl)cc1	105379747	DXVIQFCYFSKFOR-UHFFFAOYSA-N	280.732	2.845	70	20	CFID	
Cc1ccc(C(=O)N2CCc3c(F)cccc3C2)n1C	161063827	KWECBIYOEZAUFS-UHFFFAOYSA-N	272.323	2.671	70	20	CFID	
CCn1ncc2ccc(NC(=O)C(CC)(CC)CN)cc21	161195568	OQXDMCXWVLFIDT-UHFFFAOYSA-N	288.395	2.760	70	20	CFID	
CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H]1CCCNC1	161298646	SKSNOFATZIMHTA-CABCVRRESA-N	266.429	2.803	70	20	CFID	
CC(C)N(C)C(=O)c1cccc(Nc2cnn(C)c2)c1	161431256	YEXGVMWMNZSDJH-UHFFFAOYSA-N	272.352	2.644	70	20	CFID	
Cc1ccc(F)cc1S(=O)(=O)NCC1(C2CC2)CC1	160164469	ZYOJCVZRCSHTNH-UHFFFAOYSA-N	283.368	2.603	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(C)c1C)CC2	160351116	RYEFIMYGXVDAOT-ZFWWWQNUSA-N	284.407	2.869	70	20	CFID	
Cc1cc(F)c(C(=O)N(C)Cc2cccn2C)cc1F	160587433	MNCWYSSOQGGKQQ-UHFFFAOYSA-N	278.302	2.884	70	20	CFID	
CC(C)C[C@H](NCC(=O)NC(C)C)c1cccs1	160973190	IMXCRRSMSOBNDY-LBPRGKRZSA-N	268.426	2.950	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C[C@H](C)c1ccc(F)cc1F	160983335	ACFJTBDPBAGWAO-WCQYABFASA-N	299.361	2.982	70	20	CFID	
CCOC(=O)NCCCC(=O)Nc1cccc(F)c1C	159615974	SBHAZEXKEISSPW-UHFFFAOYSA-N	282.315	2.599	70	20	CFID	
CCCOCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	159426618	RYSWXLMJGSKUOW-ZBFHGGJFSA-N	291.391	2.697	70	20	CFID	
Cc1nc(C2(NCCCOC(C)C)CCCC2)no1	159684963	NCJHPSCQNWUMTN-UHFFFAOYSA-N	267.373	2.552	70	20	CFID	
COC[C@@H](NC(=O)Nc1ccn(CCC(C)C)n1)C(C)C	159697801	PZXLRQHNFRWQNK-CYBMUJFWSA-N	296.415	2.722	70	20	CFID	
C[C@@H](Sc1ccncc1)C(=O)NCCc1ccccc1	159928195	QGDCPYWJGJWZSW-CYBMUJFWSA-N	286.400	2.921	70	20	CFID	
CCN(Cc1cccc(F)c1)C(=O)[C@H](C(C)C)N(C)C	159542201	XSRWTTQDPFJULS-HNNXBMFYSA-N	280.387	2.760	70	20	CFID	
CCc1noc(C)c1CSCc1nc(CCOC)no1	159766632	AYNACMOFDVLJSN-UHFFFAOYSA-N	297.380	2.551	70	20	CFID	
O=C(C[C@@H]1OCCc2ccccc21)NCC1(C2CC2)CC1	159965277	XSSUWJOFXYCDJK-INIZCTEOSA-N	285.387	2.997	70	20	CFID	
CC(C)CCOCC(C)(C)CS(=O)(=O)Cl	114472621	MOAFKMOSXQBDDE-UHFFFAOYSA-N	256.795	2.644	70	20	CFID	
CN(C)c1ccc(NC(=O)NCCc2ccc(O)cc2)cc1	217311361	YICRFLQNOVLPBA-UHFFFAOYSA-N	299.374	2.822	70	20	CFID	
Cc1coc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1C	1325343329	MMIUAYCKRPDTCX-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
Cc1ccc(SCCC(=O)N[C@@H]2CCC[C@@H]2CO)cc1	218013725	FUYZSYFCJRQIQF-UKRRQHHQSA-N	293.432	2.754	70	20	CFID	
Cc1ccc(Cn2ccc(C(=O)OC(C)C)cc2=O)cc1	161032197	FJJKWCNDMOXYQM-UHFFFAOYSA-N	285.343	2.770	70	20	CFID	
C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2ncn(C)n2)c1	161422724	VNQVTYXYTZUHSV-SMDDNHRTSA-N	299.378	2.792	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2cccc(F)c2o1	160111571	HXAZRQGVWPYLQS-SECBINFHSA-N	293.294	2.643	70	20	CFID	
O=C(NCC1(CO)CCCC1)C1(c2ccccc2)CCC1	160308976	XEVGPKIGEPDRQX-UHFFFAOYSA-N	287.403	2.777	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1nccc2ccccc12	160313154	IHASEFNLZIFHBP-UHFFFAOYSA-N	284.359	2.517	70	20	CFID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1C=CCCC1	160446440	MBJAGEHALKWMQG-SECBINFHSA-N	288.273	2.676	70	20	CFID	
CCCOc1cccc(NC(=O)N[C@]2(C)CCOC2)c1	160510914	XTGJAPXWERTIRG-OAHLLOKOSA-N	278.352	2.776	70	20	CFID	
Cn1cnc2cc(C(=O)N3CCCC(C)(C)CC3)cnc21	160608992	KMYVYHWEUOFSNV-UHFFFAOYSA-N	286.379	2.621	70	20	CFID	
CCOC(=O)C1(C(=O)NC[C@@H]2CCC[C@H](C)C2)CCC1	160785183	IYAIDDRPKIDSIT-QWHCGFSZSA-N	281.396	2.662	70	20	CFID	
O=C(NCC1([C@@H](O)c2ccccc2)CC1)Nc1cccnc1	160823239	QSFYLXRUJZXQIY-HNNXBMFYSA-N	297.358	2.717	70	20	CFID	
C[C@@H](CC1CC1)NC(=O)N1CCC[C@@H](N2CCCC2)CC1	159843998	YTGUDDYNTSIBKG-GOEBONIOSA-N	293.455	2.835	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@H](C)C1CCOCC1	159457257	CWKKGTWXWRQGKK-GHMZBOCLSA-N	294.395	2.716	70	20	CFID	
Cc1ccc(NCc2occc2C)cc1NS(C)(=O)=O	159751391	GQZVYLUXKLQFTG-UHFFFAOYSA-N	294.376	2.880	70	20	CFID	
CCOCCOc1cc(C)ccc1CNC(=O)C(C)(C)F	159394502	ALBHVJIPUURVGH-UHFFFAOYSA-N	297.370	2.775	70	20	CFID	
O=C(N1CCNCC1)C1(Sc2ccccc2)CCCC1	159395068	OXAPEGKCWTYTGB-UHFFFAOYSA-N	290.432	2.523	70	20	CFID	
COc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159598085	XGHVOCUPRGLLBM-JYJNAYRXSA-N	273.376	2.742	70	20	CFID	
O=C(Nc1ccc(Cl)cc1)N1CCc2ncncc2C1	218067154	CIPDSNIWPDUESM-UHFFFAOYSA-N	288.738	2.720	70	20	CFID	
CCNC(=O)Nc1cc(Br)cc(OC)c1	160857349	LCWJEOODPGHHHL-UHFFFAOYSA-N	273.130	2.599	70	20	CFID	
Fc1ccc(CN[C@@H]2CCN3CCCC[C@@H]23)c(F)c1	217642952	BKLXVKJTYXWEAB-CABCVRRESA-N	266.335	2.681	70	20	CFID	
C[C@H]1CCC[C@H](CNC(=O)c2ccc(O)cc2O)C1	218211337	YQAVIKUMKFKSCW-QWRGUYRKSA-N	263.337	2.654	70	20	CFID	
CCC[C@@H](CC)NC(=O)c1cnn(C2CCOCC2)c1C	161488317	LDPBTBCMDGBSIZ-CYBMUJFWSA-N	293.411	2.852	70	20	CFID	
Cc1nn(C)c(C)c1[C@H](OC(=O)CC1CC1)C(F)(F)F	160258975	RMCWWOWJBGMSHF-LBPRGKRZSA-N	290.285	2.984	70	20	CFID	
NC[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1	160264589	KDMXASFJOFBRTA-GFCCVEGCSA-N	286.331	2.635	70	20	CFID	
CCCCOCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1	160305776	KHBCXYAZJQOICU-JYJNAYRXSA-N	296.455	2.620	70	20	CFID	
C[C@@H]1SCCN(Cc2cnc3ccccn23)[C@@H]1C	160501293	CZQYNDZBWHTNCY-NEPJUHHUSA-N	261.394	2.660	70	20	CFID	
CCO[C@H]1CCCN(Cc2c(C)nc3ccccn23)C1	160528670	DVLADUOVBUAMRE-AWEZNQCLSA-N	273.380	2.644	70	20	CFID	
C[C@@H](N(C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1(C)CC1	160620675	CRCNZPKUWDNPOR-XBFCOCLRSA-N	280.412	2.774	70	20	CFID	
CCCC1(CNC(=O)c2cnn(C(C)(C)C)c2)CC1	160623126	CBAOZAWALRBQAV-UHFFFAOYSA-N	263.385	2.948	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N(C)C2CC2)n1	160882824	FDNPOSVILRVISH-UHFFFAOYSA-N	250.346	2.555	70	20	CFID	
CCC[C@](C)(O)C(=O)NC[C@@H](OC)c1ccccc1Cl	159442391	DMCLVOJGLCURPA-HIFRSBDPSA-N	299.798	2.695	70	20	CFID	
COc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	159722055	RVNAMRKPFYOWBO-AWEZNQCLSA-N	289.375	2.917	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnn(C(C)(C)C)c1	159596513	CDSSGUZSUJPDJW-DGCLKSJQSA-N	263.385	2.947	70	20	CFID	
Cc1ccc(C)c(OCCN(C)C[C@H]2CCC[C@@H]2O)c1	159717326	ROHUXMJMKPWTHB-CVEARBPZSA-N	277.408	2.775	70	20	CFID	
C[C@H](CCc1ccc(O)cc1)NCC1(CO)CCCC1	160070510	FMNDXVBDYBUFSD-CQSZACIVSA-N	277.408	2.856	70	20	CFID	
C[C@H]1C[C@@H](NC(=O)NC(C)(C)C)CN1Cc1ccccc1	160381041	LEHPUYOQHDYEJS-DZGCQCFKSA-N	289.423	2.747	70	20	CFID	
C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	864241749	JVUIXVIZVBLEQY-LBPRGKRZSA-N	297.351	2.526	70	20	CFID	
CC[C@H](C)N(C)CCNCc1cccc2c1NCCC2	217766067	JDHKBUPUPHKXGO-AWEZNQCLSA-N	275.440	2.865	70	20	CFID	
CC[C@H](C)N(C)CCNCc1ccc2[nH]ccc2c1	217758761	VTGQUZOXVYCYPS-ZDUSSCGKSA-N	259.397	2.988	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)CCc1cccc(Cl)c1	161059620	AHXOQFABDICMHT-CQSZACIVSA-N	283.799	2.796	70	20	CFID	
Cc1ccc2cc(C(=O)NO[C@@H]3CCCCO3)ccc2n1	161204138	YCJWMYWRNFNGHO-OAHLLOKOSA-N	286.331	2.731	70	20	CFID	
COC[C@H](NC(=O)C[C@@H](C)c1ccncc1)c1ccco1	161213276	BAFQFBRLKGEQQU-OCCSQVGLSA-N	288.347	2.672	70	20	CFID	
Cc1cc2cc(NC(=O)[C@@]3(C)CCCNC3)ccc2[nH]1	161334529	LPEZXZZXEONDML-INIZCTEOSA-N	271.364	2.805	70	20	CFID	
CCOC(=O)c1c(C)[nH]c(C(=O)N2[C@@H](C)CC[C@H]2C)c1C	161406401	ZTPQLDBUEJRIQV-AOOOYVTPSA-N	292.379	2.821	70	20	CFID	
CC1=C(C(=O)NC[C@H]2[C@H]3Cc4ccccc4[C@H]23)CCCO1	160026314	SGMLOPBWHBXYAK-IKGGRYGDSA-N	283.371	2.773	70	20	CFID	
CC1(C)CCC(CC(=O)NC[C@]2(O)CCSC2)CC1	160222534	NRXWTTAVZMAWOZ-OAHLLOKOSA-N	285.453	2.577	70	20	CFID	
Cc1cccc(-n2cc(C(=O)Nc3ncccc3C)nn2)c1	160338113	WFSUPSHYOXTBSA-UHFFFAOYSA-N	293.330	2.531	70	20	CFID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[C@@H]2CCCC[C@@H]21	160353460	IPZBHFHCGKAZJD-UKMLZYKCSA-N	292.423	2.918	70	20	CFID	
CCS(=O)(=O)N1CCCCC[C@H]1c1ccc(C)o1	160632345	HILFZMQVWNHVHK-LBPRGKRZSA-N	271.382	2.855	70	20	CFID	
Cc1ccc(C)c(C(=O)Cn2cnc(C(C)C)cc2=O)c1	160653266	RYCDZLFACSGUCU-UHFFFAOYSA-N	284.359	2.866	70	20	CFID	
Cc1ccc(F)c(OCC(=O)N[C@@H](C)C[C@H]2CCCO2)c1	160685441	KNXFUBNJEXAQHE-QWHCGFSZSA-N	295.354	2.587	70	20	CFID	
CCCC[C@H](COC)NC(=O)C[C@H](C)c1ccncc1	160704188	QASKOBFIXMMQED-DZGCQCFKSA-N	278.396	2.897	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccc(-n2cccn2)cc1	160805552	WVZFSEZCLKYDOQ-AEFFLSMTSA-N	297.402	2.967	70	20	CFID	
CC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	160967970	VOVCOCKDUMOWBH-HIFRSBDPSA-N	292.423	2.886	70	20	CFID	
CCC(C)(CC)C(=O)N1CCC(OC[C@H]2CCOC2)CC1	159470173	JOBNEKKWFRCSEY-AWEZNQCLSA-N	297.439	2.857	70	20	CFID	
CC(=O)N1CC[C@H](NC(=O)[C@H](CC2CCCC2)C(C)C)C1	159547920	GJPWYZBHWNWWNN-JKSUJKDBSA-N	294.439	2.576	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@H](COC)C2CC2)c1	159944241	PMNASOWUKKKWDO-MRXNPFEDSA-N	290.407	2.940	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)NCC2(N)CCCCC2)C1	159654568	MYOMAXNKNHGKHH-CHWSQXEVSA-N	252.402	2.591	70	20	CFID	
CC[C@H](C)N(C)CCN[C@@H](C)Cc1ccccc1OC	160067688	IVMCVLYKQNNSMN-GJZGRUSLSA-N	278.440	2.946	70	20	CFID	
CN(Cc1cc(-c2cccs2)on1)[C@@H](CN)C1CC1	160111559	XFWWBXLOLNEUMZ-LBPRGKRZSA-N	277.393	2.572	70	20	CFID	
COc1cccc([C@H](O)CN[C@H](C)c2ccco2)c1	160791012	DUZDQQYBPNTQDK-BXUZGUMPSA-N	261.321	2.672	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(Br)c[nH]1	160225295	OPEHOMNLIAWEKH-UHFFFAOYSA-N	283.169	2.697	70	20	CFID	
C#CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675542	QWCMYVZCWCGGJT-UHFFFAOYSA-N	297.351	2.641	70	20	CFID	
Cc1cc(S(=O)(=O)Cl)cc(C(=O)Cl)c1C	159139807	RBCAQWHVQXXXRF-UHFFFAOYSA-N	267.133	2.610	70	20	CFID	
C[C@H](CC(=O)N[C@@H]1CCCSC1)c1ccncc1	161253467	TVXFYOWISSWLJN-DGCLKSJQSA-N	264.394	2.587	70	20	CFID	
CCO[C@H](C)c1nccn1Cc1csc(C)n1	161453186	XJILYJPXBKHEKU-SECBINFHSA-N	251.355	2.794	70	20	CFID	
Cc1cc(C(N)=O)ccc1NC(=O)c1cccc(C)c1F	161454204	ZQCQHRSBFWFCBD-UHFFFAOYSA-N	286.306	2.794	70	20	CFID	
CCNC(=O)c1cccc(CN[C@@H](C)[C@H](C)CC)c1	160160863	CQURXAOVJTTWHF-OLZOCXBDSA-N	262.397	2.961	70	20	CFID	
CSCCCCC(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160170444	DMJSOXFBGWTDSC-UHFFFAOYSA-N	294.380	2.845	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C(C)=O)cs1	160189555	WUBXHHUPRZSZBX-PELKAZGASA-N	252.339	2.720	70	20	CFID	
Cc1cccc(C)c1OCCN[C@@H](C)c1cnccn1	160274035	BNZNEVVFRPDWFK-AWEZNQCLSA-N	271.364	2.823	70	20	CFID	
CCCN(CC(=O)NC)C(=O)C[C@H]1CCCCC1(C)C	160295632	JOVOITBMBXEFPX-CYBMUJFWSA-N	282.428	2.578	70	20	CFID	
Cc1nc(C)c(C(=O)NCCCSCC(C)C)o1	160737413	AWHUKONHMUTLEW-UHFFFAOYSA-N	270.398	2.801	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1csc(C2CC2)n1	160990785	FHQRIBPDAYGRKC-UHFFFAOYSA-N	275.377	2.631	70	20	CFID	
CC(C(=O)NC[C@@]1(O)CCc2ccccc21)=C1CCCC1	159426040	BDFHJDIWIMNRJS-SFHVURJKSA-N	285.387	2.827	70	20	CFID	
Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CCn3ccnc3C2)cc1	159432659	HOUPLNDKXXZOQC-GOEBONIOSA-N	297.402	2.974	70	20	CFID	
CCC[C@@H](C)c1cc(NC(=O)[C@@H]2CCCCO2)[nH]n1	159706947	GNTPGGMATJSWSB-PWSUYJOCSA-N	265.357	2.821	70	20	CFID	
Cc1n[nH]c(C)c1NC(=O)Cc1cc(F)c(F)cc1F	159960529	JELGLFKYMJFVCA-UHFFFAOYSA-N	283.253	2.625	70	20	CFID	
CCCC[C@H](CC)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159891821	FANXCTKHGDYZJE-MELADBBJSA-N	252.402	2.556	70	20	CFID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)C1CCC1)C(F)(F)F	160166799	JCOBTUIERCEDAO-LLVKDONJSA-N	290.285	2.984	70	20	CFID	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccco1	161224310	IJHAQSINSILOMK-SNVBAGLBSA-N	275.279	2.810	70	20	CFID	
CCc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2CNC)cc1	161230469	JQONZDOUVSYJIG-CZUORRHYSA-N	274.408	2.563	70	20	CFID	
CC[C@@H](SCCN1C(=O)CNC1=O)c1ccc(F)cc1	161313402	JAOUMDNVDBOTGL-GFCCVEGCSA-N	296.367	2.562	70	20	CFID	
CC(C)(C)c1nsc(NCCc2ccc(CO)cc2)n1	160279573	REHOEYNNEMNGCF-UHFFFAOYSA-N	291.420	2.983	70	20	CFID	
CN(CCOc1cccc(Cl)c1)C(=O)[C@H]1CCCCO1	160285213	TZUILMBIKZHQPQ-CQSZACIVSA-N	297.782	2.746	70	20	CFID	
COCC(C)(C)C(=O)NCCc1csc(C(C)(C)C)n1	160676338	DXWJOSUMVAHXRR-UHFFFAOYSA-N	298.452	2.772	70	20	CFID	
CC[C@H](NCCNC(=O)c1ccco1)c1ccc(F)cc1	160712499	HAUYRKWPIMHGPN-AWEZNQCLSA-N	290.338	2.889	70	20	CFID	
CO[C@H](CNC(=O)C[C@H](C)c1ccncc1)C(C)(C)C	160952168	GNSHTPHOZZNKCL-GXTWGEPZSA-N	278.396	2.753	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)CCOCC2CC2)o1	160966356	MUKGARUPXFXJNY-CMDGGOBGSA-N	277.364	2.740	70	20	CFID	
O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCCO1	159663644	MFJKGMAAGCILFM-SNVBAGLBSA-N	266.366	2.530	70	20	CFID	
C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)C1CC1	159701309	ZNKFDDFURQQOAQ-LLVKDONJSA-N	256.349	2.873	70	20	CFID	
CCCCn1ncc(NC(=O)NCC(C)C)c1C	159919202	JEIHVQVJYMGATM-UHFFFAOYSA-N	252.362	2.769	70	20	CFID	
CC[C@@H](CC(=O)NCC(C)(C)N)c1ccc(C)cc1	159944171	ZNHDWQUNEAIMQL-ZDUSSCGKSA-N	262.397	2.732	70	20	CFID	
CSCCNC(=O)c1cncc(-c2ccccc2)c1	159750239	WMIXWAYOFAHPNQ-UHFFFAOYSA-N	272.373	2.841	70	20	CFID	
O=C(CSc1ccncc1)c1ccc2c(c1)OCCO2	159951455	HXKMUOWYTWECSL-UHFFFAOYSA-N	287.340	2.828	70	20	CFID	
CCOC(C)(C)CNC(=O)Cc1c[nH]c2ccccc12	159695410	ANVCVJGZMDTDOG-UHFFFAOYSA-N	274.364	2.642	70	20	CFID	
COC[C@@H](C)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C	161264313	NLIKNXJEMUFBLL-CHWSQXEVSA-N	288.432	2.550	70	20	CFID	
C[C@@H](c1ccccn1)N(C)CCCN1CCCCC1	161460793	ZUWJFMJWAXTVNU-HNNXBMFYSA-N	261.413	2.950	70	20	CFID	
Cc1ccc([C@H](O)Cn2cnc3c2CCCC3)cc1	216923510	YIYQIQNFQCJOMR-MRXNPFEDSA-N	256.349	2.804	70	20	CFID	
CCc1ncnc(NCC2(O)CCCCCC2)c1F	218024574	KAMJSXDFCALCLC-UHFFFAOYSA-N	267.348	2.675	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NC[C@@H](C)CN2CCCC2)C1	161074359	AVMVUJAQPFNJDG-KFWWJZLASA-N	266.429	2.661	70	20	CFID	
CCCCCC[C@@]1(C)NC(=O)N(Cc2nccs2)C1=O	161129363	QWJCFBANVCQDBA-CQSZACIVSA-N	295.408	2.924	70	20	CFID	
Cc1cncc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	160078380	MRDWTTGOPJNEGJ-AWEZNQCLSA-N	274.364	2.612	70	20	CFID	
Fc1ccc2ccc(N3CCC(n4ccnn4)CC3)nc2c1	160233272	NBGAGMNFFZJLEQ-UHFFFAOYSA-N	297.337	2.807	70	20	CFID	
CC(C)[C@H](C(=O)N[C@@H]1CCCc2sccc21)N(C)C	160265045	LEVGHOCHFRXUQY-TZMCWYRMSA-N	280.437	2.828	70	20	CFID	
CCN(C)Cc1cccc(CNC(=O)NC2(C)CCC2)c1	160312571	XRTIVOOERHYFSH-UHFFFAOYSA-N	289.423	2.880	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(N2CCNC2=O)cc1	160412987	JUGPSGRRZURNIN-CZUORRHYSA-N	287.363	2.591	70	20	CFID	
C[C@@H](OCC1CC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160522401	NOVHIKUTEBXNKE-HIFRSBDPSA-N	295.423	2.800	70	20	CFID	
CCO[C@@H](CC)C(=O)Nc1cccc(OCCF)c1	160627584	ZLZISUJZOKVVPL-ZDUSSCGKSA-N	269.316	2.789	70	20	CFID	
CCc1ccc(CN(Cc2nncn2C)C2CC2)cc1	160784825	ATSQBQCXUTYUCL-UHFFFAOYSA-N	270.380	2.542	70	20	CFID	
COc1ccc2c(c1)N(Cc1cnc3ccccn13)CCO2	160850127	CWPXKUVHHOBEDM-UHFFFAOYSA-N	295.342	2.742	70	20	CFID	
CC(C)CSCCCNC(=O)CCc1ccccn1	160857560	HKFURPKKHZYQMO-UHFFFAOYSA-N	280.437	2.910	70	20	CFID	
CC[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1	160912992	UUZPEEXCRLNKCW-IAGOWNOFSA-N	292.398	2.730	70	20	CFID	
CC(C)COCCCNC(=O)N1CCC2(CCC2)C1	159411719	VWOMTCQFFQNUNN-UHFFFAOYSA-N	268.401	2.635	70	20	CFID	
CN([C@H]1CCSC1)S(=O)(=O)c1ccc(Cl)s1	159435902	QFEWRFKDBYGDBU-ZETCQYMHSA-N	297.854	2.528	70	20	CFID	
C[C@@]1(NC(=O)Nc2ccccc2OC(F)F)CCOC1	159494359	DPLZMTKLNLBPSG-CYBMUJFWSA-N	286.278	2.589	70	20	CFID	
O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CC12CCOCC2	159509385	UWJSRCWYNNHVBC-OAHLLOKOSA-N	298.386	2.643	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@@H](CC)COC)c1	159934571	WVMDTZBYGYQSLC-AWEZNQCLSA-N	278.396	2.940	70	20	CFID	
CCc1nc(CN[C@@H](CC)c2ccc(OC)cc2)n[nH]1	160274969	RSCXAESKEUSTMX-ZDUSSCGKSA-N	274.368	2.617	70	20	CFID	
CCc1ccc([C@H](C)NCCCCS(C)(=O)=O)cc1	161197734	KEFFXOQRXDACIV-ZDUSSCGKSA-N	283.437	2.724	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1C[C@H]1C1CCC1	460097313	ZGDDYNWZJNJGPE-QWHCGFSZSA-N	297.351	2.720	70	20	CFID	
O=C(C[C@H]1C=CCC1)Nc1cccc(S(=O)(=O)F)c1	460093502	OCWQOWHVMORKKS-JTQLQIEISA-N	283.324	2.640	70	20	CFID	
CC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCCC1	460088203	CFKYVBNPJUHJMI-UHFFFAOYSA-N	285.340	2.864	70	20	CFID	
CSC[C@@H](C)C(=O)Nc1cccc(OCCF)c1	160437093	UQHFRYQCBKNAMQ-SNVBAGLBSA-N	271.357	2.973	70	20	CFID	
Cc1ccsc1CCCC(=O)N1CCOC[C@@H]1C	161260262	VDFKLTHLOXMKFJ-LBPRGKRZSA-N	267.394	2.627	70	20	CFID	
C[C@@H](CN[C@@H](C)[C@@H]1CCOC1)COCc1ccccc1	161297016	ZRWNNBXTZCHYAY-YQQAZPJKSA-N	277.408	2.854	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCOC(C)(C)C1	161425666	APHMTOWGWUUWKK-VXGBXAGGSA-N	279.405	2.797	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccn(C)n1	160073722	CXJJZPRQFGHVOC-NXEZZACHSA-N	261.350	2.532	70	20	CFID	
Cc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)n1	160076835	CSWKWWMOQLOGQR-CYBMUJFWSA-N	274.364	2.612	70	20	CFID	
O=C(CC1CCSCC1)NCC1(C2CC2)CC1	160091269	CMHNLIIEWGRILY-UHFFFAOYSA-N	253.411	2.826	70	20	CFID	
C[C@@H](c1cnn(C)c1)N(C)c1nc(C(C)(C)C)ns1	160288148	YNQCBNOKXRIKAU-VIFPVBQESA-N	279.413	2.767	70	20	CFID	
CCOC(=O)C[C@@H](C)N(C)c1nc(C(C)(C)C)ns1	160317733	IOHRXSKJXISINP-SECBINFHSA-N	285.413	2.614	70	20	CFID	
CCCOC(=O)[C@H](C)NC(C)(C)c1ccccc1OC	160552505	VSVAZBUQMIFJOQ-LBPRGKRZSA-N	279.380	2.862	70	20	CFID	
Cc1ccc(C(=O)Cn2cnc(C(C)C)cc2=O)cc1C	160681582	QNFLJWZFAPESQZ-UHFFFAOYSA-N	284.359	2.866	70	20	CFID	
CC1(NC(=O)NCc2cc(F)ccc2F)CCC1	160835286	NGSKCRMVYBVVTK-UHFFFAOYSA-N	254.280	2.707	70	20	CFID	
CSc1ccccc1NC(=O)N[C@@]1(C)CCOC1	159434468	GABHOXGPBGYHAN-ZDUSSCGKSA-N	266.366	2.709	70	20	CFID	
CCC[C@](C)(O)C(=O)NC[C@H](OC)c1ccccc1Cl	159442172	DMCLVOJGLCURPA-ZFWWWQNUSA-N	299.798	2.695	70	20	CFID	
C[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)C1	159453220	ZBSFGEQTQUJSBT-SMDDNHRTSA-N	284.363	2.780	70	20	CFID	
C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ns2)CN1C1CC1	159912624	VCNRIBBZJXHWJA-NXEZZACHSA-N	280.441	2.873	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)Oc1cccnc1	159543851	YKXBWLIULHEUPZ-DYEKYZERSA-N	262.353	2.544	70	20	CFID	
O=C(Nc1cn[nH]c1)[C@@H]1C[C@@H]1c1ccccc1OC(F)F	159773598	MLNJRPWRQMXOSG-GHMZBOCLSA-N	293.273	2.753	70	20	CFID	
COc1ccc(C)cc1CN(C)C[C@H]1CCC[C@@H]1O	159458874	QXXJZDRJRWCXOM-HIFRSBDPSA-N	263.381	2.596	70	20	CFID	
CCc1cccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1	160650910	DLGFIAKTZCQIPW-UHFFFAOYSA-N	293.392	2.896	70	20	CFID	
Nc1ccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1	161065098	GJGDGMNKRBDSEJ-GJZGRUSLSA-N	258.365	2.967	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cccs1	460094673	SCBFIJWOEDNMKU-UHFFFAOYSA-N	285.321	2.659	70	20	CFID	
Cc1c(C(=O)N[C@@H]2CCC[C@@H]2CO)oc2ccccc12	218030133	CEZKVQCABDVQQG-DGCLKSJQSA-N	273.332	2.632	70	20	CFID	
CC(C)NCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1	161054557	UHJOHTOMBVQBMD-IRXDYDNUSA-N	288.435	2.902	70	20	CFID	
C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161168487	NVJWIQCPOYVDAW-FQKPHLNHSA-N	292.423	2.822	70	20	CFID	
COCC(C)(C)c1nc(COc2ccccc2)no1	161377831	RTNILINLNKZUEP-UHFFFAOYSA-N	262.309	2.573	70	20	CFID	
CC(C)C[C@H]1CCN(C(=O)NCCCC(=O)OC(C)C)C1	160164662	YOFZSDRZXNKKEY-CQSZACIVSA-N	298.427	2.796	70	20	CFID	
COCC[C@@H](C)NC(=O)c1ccc(F)c(SC)c1	160209837	OAGMSEVEBDLSGI-SECBINFHSA-N	271.357	2.702	70	20	CFID	
CCN(CC(=O)N[C@H]1CCCc2sccc21)C1CC1	160385137	LIGOTJWYVFLRPG-ZDUSSCGKSA-N	278.421	2.726	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(SC)ccc1C	160433663	SVGKTLHBJPZWJJ-NSHDSACASA-N	295.404	2.788	70	20	CFID	
CC(C)CSCCCNC(=O)c1ccnc(F)c1	160682452	BDOXQBHRVUIIAF-UHFFFAOYSA-N	270.373	2.730	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)NC1(C(N)=O)CCCCC1	159907349	UFAMVWXYDHCIBS-ZDUSSCGKSA-N	294.439	2.897	70	20	CFID	
Cc1noc(Cl)c1CC(=O)N(C)[C@@H](C)c1ccco1	159911950	WLEQJXOXZDCICJ-VIFPVBQESA-N	282.727	2.992	70	20	CFID	
COc1ccc(OC)c(CC(=O)NCC2(C3CC3)CC2)c1	159915317	QTPCMMVNGAYFCP-UHFFFAOYSA-N	289.375	2.553	70	20	CFID	
CCc1ccc(CNC(=O)[C@@H](O)c2ccccc2)s1	159529879	LAEJKWAPHTUEQK-AWEZNQCLSA-N	275.373	2.660	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)N(C)CC1CCOCC1	159926939	MORGBDWIBCFGTR-UONOGXRCSA-N	268.401	2.633	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCCc3sccc32)[nH]n1	159997269	OHUUOOXPNDCHJY-JTQLQIEISA-N	261.350	2.587	70	20	CFID	
COC(=O)c1ccc(CNc2ccc(F)c(OC)c2)[nH]1	160076044	FTMLAWUFGNHWHC-UHFFFAOYSA-N	278.283	2.561	70	20	CFID	
C[C@H](NCC(C)(C)CO)c1cnn(-c2ccccc2)c1	160124495	PZJDLZAQBFZWNR-ZDUSSCGKSA-N	273.380	2.541	70	20	CFID	
CCC(CC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460091812	LDPGZHOPTLOXFH-UHFFFAOYSA-N	273.329	2.720	70	20	CFID	
C[C@@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1336922416	TVIOJOPAWIDTQA-ZYHUDNBSSA-N	299.367	2.653	70	20	CFID	
C[C@H](CNc1cccc(Br)n1)N(C)C1CC1	218721017	JEHDTINKUIFYNH-SECBINFHSA-N	284.201	2.739	70	20	CFID	
c1ccc2[nH]c(NC[C@H]3CSCCS3)nc2c1	161089644	VUARISLWNPCVCK-VIFPVBQESA-N	265.407	2.823	70	20	CFID	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H](C)N)cc1	161233827	AURGJYPCEQUJAM-IPYPFGDCSA-N	260.381	2.642	70	20	CFID	
COc1ccc(CNC2(c3noc(C)n3)CCCC2)cc1	161367961	IUEWRASOCABBSL-UHFFFAOYSA-N	287.363	2.946	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC[C@]2(C)CCCO2)n1	161391899	JPGFHNDMUJJZKW-HNNXBMFYSA-N	294.399	2.620	70	20	CFID	
Cc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)ncn1	161500888	BJWSNIBCYLWMSN-UHFFFAOYSA-N	298.346	2.632	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@H]1c1cccs1	160014670	GBFMYPAALYNOQL-NWDGAFQWSA-N	265.378	2.981	70	20	CFID	
CN(CC(F)(F)F)C(=O)COc1ccc2[nH]ccc2c1	160033170	XDYIHJJDIHNCJT-UHFFFAOYSA-N	286.253	2.567	70	20	CFID	
CCOc1ccc(CNCC2(CO)CCCC2)cc1OC	160079375	REUMCMWHWDJCBU-UHFFFAOYSA-N	293.407	2.736	70	20	CFID	
C[C@@H](Sc1ccccc1Cl)C(=O)NCC(C)(C)N	160089886	FZTPZOJPHDMONR-SECBINFHSA-N	286.828	2.674	70	20	CFID	
C[C@H](O)C[C@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3	160192496	XSYGTWNFJGTFOP-MMLUDYIGSA-N	291.435	2.821	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)CC[C@H]1CCCO1	160226114	CAZRYOVJRDLPKJ-DOMZBBRYSA-N	289.375	2.758	70	20	CFID	
CNC(=O)c1ccc(NC(=O)C(C)(C)C)c(Cl)c1	160272656	XRYGSOVBKDTIAL-UHFFFAOYSA-N	268.744	2.684	70	20	CFID	
COc1cccc2c1OCC(C(=O)Nc1cccc(C)n1)=C2	160342408	SRJADIYDOUOJPQ-UHFFFAOYSA-N	296.326	2.813	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)CCC3CC3)[nH]2)o1	160442421	HYXXTJCHYOSFMI-UHFFFAOYSA-N	260.297	2.502	70	20	CFID	
CCOCCC(=O)O[C@H](c1ccccn1)C(F)(F)F	160494331	YVGVRZRTAOAPOZ-LLVKDONJSA-N	277.242	2.655	70	20	CFID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1nccs1	160518824	IPZYVIFFPYWYGZ-MNOVXSKESA-N	269.414	2.838	70	20	CFID	
CC(C)n1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H](C)C2)cn1	159678189	OMUSNSMJJVRJLU-CHWSQXEVSA-N	299.440	2.521	70	20	CFID	
NC1(CNC(=O)/C=C/c2ccc(F)cc2)CCCCC1	159504727	RYOPNIAKORLCKH-RMKNXTFCSA-N	276.355	2.617	70	20	CFID	
COCC[C@@H](C)NC1CCN([C@H](C)c2ccncc2)CC1	159903248	OSJISHVFXFYKFC-HUUCEWRRSA-N	291.439	2.622	70	20	CFID	
CCCCOCCCNC(=O)[C@@H]1CNc2ccccc21	160309227	ABBZWJFKDSRQJF-CQSZACIVSA-N	276.380	2.519	70	20	CFID	
CCN(CCCO)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	160551859	HQOIVBMIEJSIRW-QWRGUYRKSA-N	281.318	2.586	70	20	CFID	
O=C(CCSc1ccccc1Cl)N[C@@H]1CCC[C@H]1O	161283717	DGWSTLPLAXKHGM-VXGBXAGGSA-N	299.823	2.852	70	20	CFID	
CC(C)COC[C@@H](CS(=O)(=O)Cl)C(C)(C)C	114478231	ZFZLHUAPDOENJZ-JTQLQIEISA-N	270.822	2.890	70	20	CFID	
C[C@@H]1CC[C@@H](CNC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349532368	LTMVMMQEYPUGDS-GHMZBOCLSA-N	299.367	2.511	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCOC1CCOCC1	161206182	SOMZWURMAYUTGV-GOEBONIOSA-N	297.439	2.999	70	20	CFID	
Cc1ccc2[nH]c(C(=O)N[C@@H](CO)CC(C)C)cc2c1C	161237100	TUPZOCSGIQHDSC-CYBMUJFWSA-N	288.391	2.922	70	20	CFID	
Cc1ccc(CNC2(c3noc(C)n3)CCCC2)o1	161365466	NOMPNVABWJSVPU-UHFFFAOYSA-N	261.325	2.839	70	20	CFID	
CNC[C@H](C)C(=O)N(CC1CCC1)c1ccccc1	161438237	NVIJCZLJAVZCBD-ZDUSSCGKSA-N	260.381	2.675	70	20	CFID	
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H](C)N	161415708	NYBZDQCZHCIBOV-MFKMUULPSA-N	298.814	2.899	70	20	CFID	
CCc1ccccc1C(=O)NC[C@H](C)N(CC)CC	161442847	VCQIGULKILVSFG-ZDUSSCGKSA-N	262.397	2.709	70	20	CFID	
CCCCn1ncc(NC(=O)N(CC)CC(C)(C)O)c1C	160021768	MEORICBDYJWMQN-UHFFFAOYSA-N	296.415	2.616	70	20	CFID	
Cc1noc(CCC(=O)N[C@@H]2CCCc3sccc32)n1	160112630	RTYGIYNAVLIHLX-LLVKDONJSA-N	291.376	2.566	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)c1cccnc1OC	160180724	WCLJLINXRSYRKO-AWEZNQCLSA-N	298.342	2.516	70	20	CFID	
Cc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c(C)c1	160489841	ZYZAXDOLXGWWNV-HIFRSBDPSA-N	284.407	2.869	70	20	CFID	
CC[C@@H](NC(=O)CCOC(C)C)c1c(C)noc1C	160536752	UXIBEPZYDJPRIZ-GFCCVEGCSA-N	268.357	2.674	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)[C@@H](C)CCc1ccccc1F	160744347	AOIKUSJOJBDJGU-BBRMVZONSA-N	295.398	2.918	70	20	CFID	
C[C@H]1C[C@@H](NCc2ccc(CN(C)C)cc2)[C@H](C)CN1C	160868345	MTKASRLHHGLLJP-RVKKMQEKSA-N	289.467	2.567	70	20	CFID	
Cc1csc(CSCCCCS(C)(=O)=O)n1	160964887	WVRRIVDWXODRTI-UHFFFAOYSA-N	279.452	2.510	70	20	CFID	
CCC[C@H](C)c1cc(NC(=O)[C@@H]2CC[C@H](C)O2)[nH]n1	159813857	UJUZIMVBZVDGLV-NHCYSSNCSA-N	265.357	2.819	70	20	CFID	
Cn1c(COc2ccccc2)nnc1SCC1CC1	159437996	WFKBSDFQTUUAMY-UHFFFAOYSA-N	275.377	2.896	70	20	CFID	
CC[C@H](C)C[C@H](C)NC(=O)N1CCCN(CC)CC1	159920337	YATOMHLFGCRKBE-KBPBESRZSA-N	269.433	2.548	70	20	CFID	
CCN(CCCO)C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	160562369	AXUFARYAMMHWML-TZMCWYRMSA-N	279.380	2.567	70	20	CFID	
C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@@H](C)N1	161204192	JUPPHOCBKIOPSO-NXEZZACHSA-N	292.379	2.863	70	20	CFID	
COc1cccc([C@@H]2CCCN2CCn2ccnc2)c1	159692190	CXQBAAXWXSJNKR-INIZCTEOSA-N	271.364	2.729	70	20	CFID	
Cc1noc(CSCc2cnc(Cl)s2)n1	161195823	JZSKXNLSUKUPSU-UHFFFAOYSA-N	261.759	2.921	70	20	CFID	
CNC[C@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1	160195102	BBZRUDWMUVGTMN-XXXXFFMBSA-N	290.451	2.517	70	20	CFID	
CN(CC(=O)NCCC1=CCCC1)Cc1ccccc1	160230057	QTMHKGAAEIKWOM-UHFFFAOYSA-N	272.392	2.735	70	20	CFID	
COc1cc(NC(=O)C[C@@H](C)[C@H]2CCCNC2)ccc1F	160333289	DVEOVNWBKMQILH-NEPJUHHUSA-N	294.370	2.799	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1nnc(C(C)(C)C)s1	160371394	WPZTZMVRWJOAOY-MRVPVSSYSA-N	271.386	2.589	70	20	CFID	
CCc1nc(CNC(C)(C)c2cccc(F)c2)n[nH]1	160448588	HBSWFTXJEFEHPB-UHFFFAOYSA-N	262.332	2.531	70	20	CFID	
CCc1ccc(CC(=O)N(C)Cc2cccn2C)cc1	160575898	YMXZKTBNJVOHIQ-UHFFFAOYSA-N	270.376	2.789	70	20	CFID	
CCc1ccccc1C(=O)N1CCN(C2CCCC2)CC1	160812428	RPXZQZQWSXQQIS-UHFFFAOYSA-N	286.419	2.949	70	20	CFID	
CC(C)CCN(C)S(=O)(=O)Cc1c(F)cccc1F	160962465	KYVQNFOQXMBGBG-UHFFFAOYSA-N	291.363	2.773	70	20	CFID	
CCCS(=O)(=O)N[C@@H](CC)c1ccc(F)cc1F	159632671	WPPCCKMCCDKTHL-LBPRGKRZSA-N	277.336	2.745	70	20	CFID	
CCN1CCCN(C(=O)NCC2CCC(C)CC2)CC1	159742235	NINGSRPNWITZAH-UHFFFAOYSA-N	281.444	2.550	70	20	CFID	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H]1CCCNC1	159756807	XNXNVVBESNOFGN-HOTGVXAUSA-N	274.408	2.842	70	20	CFID	
COc1cc(NCc2cccc(C(N)=O)c2)ccc1F	159904094	AYSOFCZVQOXPCJ-UHFFFAOYSA-N	274.295	2.545	70	20	CFID	
CC(=O)[C@H]1C[C@@H](CC(=O)NC2CCCC2)C1(C)C	218439628	GNBHFPDNJSOFCT-WCQYABFASA-N	251.370	2.687	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1nnc(C(F)F)s1	161103520	YSPLRZPAKHEWOS-BYPYZUCNSA-N	267.326	2.556	70	20	CFID	
Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)ncn1	161205592	DFGIAKOXTMGFQN-UHFFFAOYSA-N	253.305	2.526	70	20	CFID	
NC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCCCC1	161260234	DRTICUFCOFZUCA-INIZCTEOSA-N	286.419	2.786	70	20	CFID	
CCc1c(C(=O)NC[C@@H](C)SC)cnn1CC(C)C	161378677	CSYOGEONGUADDZ-LLVKDONJSA-N	283.441	2.583	70	20	CFID	
O=S(=O)(NCC1(C2CC2)CC1)c1ccc(Cl)cc1	160150053	OJUGZTUMPSSPTQ-UHFFFAOYSA-N	285.796	2.809	70	20	CFID	
CCC[C@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160188785	OHHVBYBPWCLAPD-AWEZNQCLSA-N	298.427	2.940	70	20	CFID	
NCC[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160200615	CARCSYOYBMAKPN-OBYDGYHJSA-N	290.451	2.789	70	20	CFID	
COc1cc(CCC(=O)Nc2nncs2)ccc1Cl	160347398	INEISTYOLMHAHW-UHFFFAOYSA-N	297.767	2.771	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(SC)ccc1C	160433563	SVGKTLHBJPZWJJ-LLVKDONJSA-N	295.404	2.788	70	20	CFID	
CC(C)CN(CC(C)C)C(=O)N[C@@H]1CCN(CC2CC2)C1	160636621	WMUWBVWHCNWJMN-MRXNPFEDSA-N	295.471	2.794	70	20	CFID	
COc1cc(C(=O)Nc2ccccc2C)cc(OC)c1O	160689516	RKNKJDGHPBNARP-UHFFFAOYSA-N	287.315	2.970	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1c(C)[nH]c2ccccc12	160695379	XGCYRABLIKBVLS-SNVBAGLBSA-N	288.347	2.548	70	20	CFID	
Cc1ccccc1C1(C(=O)N[C@H](CO)CC(C)C)CC1	160735468	DYMONSSMNUBSCY-AWEZNQCLSA-N	275.392	2.550	70	20	CFID	
CC(C)OC(=O)[C@@H](C)CNC(=O)C1CCC(C)(C)CC1	160775988	SSOPWLFKDCNMEU-LBPRGKRZSA-N	283.412	2.907	70	20	CFID	
C[C@H](NCc1cc(F)cc(Cl)c1)C(=O)N1CCCCC1	160902295	SEUCZSFGCWGXHL-NSHDSACASA-N	298.789	2.970	70	20	CFID	
CN(CCC1CC1)C(=O)NC[C@H](c1cccs1)N(C)C	160906734	BSDAQLQUOOLCDW-CYBMUJFWSA-N	295.452	2.792	70	20	CFID	
OC[C@H](NCc1cccc2c1NCCC2)c1ccccc1	159414220	MGJNFZQRYICKGE-KRWDZBQOSA-N	282.387	2.868	70	20	CFID	
Cc1ncoc1C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O	159539518	VBMBIPZATMAUOH-MCIONIFRSA-N	292.379	2.529	70	20	CFID	
CCN1CCCN(C(=O)NC[C@@H]2CCC[C@H](C)C2)CC1	159741964	OUVMKQHFGNWROG-LSDHHAIUSA-N	281.444	2.550	70	20	CFID	
CCCCN(C)CCNC(=O)[C@H](C)c1ccsc1	159952434	SWHFZJCYSXNKNR-GFCCVEGCSA-N	268.426	2.700	70	20	CFID	
CCC(C)(CC)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159374148	LBFGINAWKXUQTA-UPJWGTAASA-N	265.397	2.887	70	20	CFID	
CCC(CC)NC(=O)[C@H](C)n1cnc2ccccc21	161009422	KBWFXWCIACIBQR-NSHDSACASA-N	259.353	2.902	70	20	CFID	
O=C(Nc1ccncc1)c1ccc2c(c1)CCCC2=O	218317048	DZLFNDRHHSTDBE-UHFFFAOYSA-N	266.300	2.853	70	20	CFID	
Cc1nc(NC(=O)NC2CCC2)ccc1Br	160878613	FVKUBQYMOAEPMI-UHFFFAOYSA-N	284.157	2.827	70	20	CFID	
CC[C@@H](COC1CCCCC1)CS(=O)(=O)Cl	114472568	LSSRKRAXAGNKOC-JTQLQIEISA-N	268.806	2.931	70	20	CFID	
CC[C@H](SC)c1nc(-c2ccnc(OC)c2)no1	161359987	VXZXRICOZXCECZ-VIFPVBQESA-N	265.338	2.954	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1cnc(C(C)(C)C)nc1	161305212	BIQBVKXJNMZKMD-SNVBAGLBSA-N	265.357	2.528	70	20	CFID	
Cc1cc(C[C@H](C)NC(=O)CCC2CCCC2)n[nH]1	161440256	LVFWLQMQFRFFLT-NSHDSACASA-N	263.385	2.736	70	20	CFID	
C[C@H]1CN(C)CC[C@@H]1N(C)c1nc2cc(F)ccc2o1	160426295	HUGDUHCZGZGNIQ-GWCFXTLKSA-N	277.343	2.743	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1	160514157	NLCGWTKWNOJXQW-VIFPVBQESA-N	290.392	2.860	70	20	CFID	
C[C@H]1CCC[C@H](NC(=O)NC[C@H](O)c2ccsc2)[C@@H]1C	160877519	PDXZISTURGEBJR-XCCSTKFXSA-N	296.436	2.905	70	20	CFID	
CCCc1noc(CN(C)Cc2cccc(N(C)C)c2)n1	159766873	OUTPRQATUHCTIG-UHFFFAOYSA-N	288.395	2.720	70	20	CFID	
COc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159657461	IIMUARZOOYYOEX-IMJJTQAJSA-N	273.376	2.742	70	20	CFID	
CC(C)(C)c1csc2ncc(S(=O)(=O)Cl)n12	106969692	DZMKCWMCSDKALE-UHFFFAOYSA-N	278.786	2.621	70	20	CFID	
CCN1CCCC[C@H]1CN[C@@H]1CC(C)(C)OC1(C)C	161204504	FRXPJMSPHNVXBO-UONOGXRCSA-N	268.445	2.797	70	20	CFID	
CCc1nc(CN(C)Cc2ccc(Cl)c(F)c2)n[nH]1	160172220	UFMWEIYAUPMRJT-UHFFFAOYSA-N	282.750	2.792	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)CC)cc1	160522100	VDQQFFJTZZLBML-UKRRQHHQSA-N	295.404	2.855	70	20	CFID	
CCCCNc1ccccc1C(=O)NC[C@H]1CCCO1	160644668	YIHWAIZTWWWHJT-CYBMUJFWSA-N	276.380	2.807	70	20	CFID	
CCC(CC)n1nccc1C(=O)NCCCOC(C)C	160645045	XYEDIPDMMMWHHX-UHFFFAOYSA-N	281.400	2.789	70	20	CFID	
Cc1c(CNC(=O)[C@H](c2ccccc2)C2CC2)cnn1C	159408880	LCUDUAVYFUFGRR-MRXNPFEDSA-N	283.375	2.539	70	20	CFID	
CC(C)[C@H](O)CNC(=O)C(C)(C)c1cccc(Cl)c1	159686208	DIRXELPXLQDPCR-CYBMUJFWSA-N	283.799	2.751	70	20	CFID	
Cc1cc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)[nH]n1	159494649	ZSBUITVAFBBEHS-UKRRQHHQSA-N	299.374	2.616	70	20	CFID	
CCOC(CCNCc1ccc(OC)cc1OC)OCC	159547065	UHNHIEVSZDVVQW-UHFFFAOYSA-N	297.395	2.583	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)NC1CCN(CC)CC1	159588677	LQHVCUHYRQFBOX-INIZCTEOSA-N	296.455	2.715	70	20	CFID	
CC(C)CCS(=O)(=O)N[C@@H]1CCCc2cc(N)ccc21	159456351	YWFWQBNGVNQDCA-OAHLLOKOSA-N	296.436	2.612	70	20	CFID	
O=C(NCCc1ncc[nH]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	159970944	WREXBIHGEBGDTC-BFHYXJOUSA-N	275.396	2.675	70	20	CFID	
CCOCCCN1CCC[C@H](c2nccs2)C1	160004622	GAGWZCIVCNNJMQ-LBPRGKRZSA-N	254.399	2.749	70	20	CFID	
C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1	160850583	DCOJBECXWZAPEF-GUTXKFCHSA-N	278.421	2.787	70	20	CFID	
O=C(c1cc(=O)c2ccccc2o1)N1[C@H]2C=CC[C@H]1CC2	218701595	KVTYRQLVGDYVMX-RYUDHWBXSA-N	281.311	2.726	70	20	CFID	
CCOC(=O)c1cccc(NC(=O)c2ccccc2O)c1	218398611	TXKUQLGGACEPCZ-UHFFFAOYSA-N	285.299	2.821	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)Cc1ccnn1C	161160141	DOBKAMAPLVELTI-UHFFFAOYSA-N	279.771	2.584	70	20	CFID	
CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1	864238435	KDRVGQFQAITGKP-NSHDSACASA-N	299.367	2.607	70	20	CFID	
C[C@H](CCc1ccco1)N[C@@H]1CCN2CCCC[C@@H]12	217697007	GKBDPIIKYNCNDR-BMFZPTHFSA-N	262.397	2.817	70	20	CFID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCSC1	161049933	OIVPMFBWXRBPDI-CQSZACIVSA-N	298.496	2.708	70	20	CFID	
CC(C)NCCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C	161096890	LKZZTEQMUPYTQG-YVEFUNNKSA-N	292.398	2.953	70	20	CFID	
CC(=O)NC1CCC(NCCc2ccc(C)cc2C)CC1	161371715	NJYLMTVDJYWYNY-UHFFFAOYSA-N	288.435	2.883	70	20	CFID	
Cc1ccc2cccc(NC(=O)N3CCC[C@@](C)(O)C3)c2n1	161419901	LAWDAQLTIQABJO-QGZVFWFLSA-N	299.374	2.922	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1	160060382	REXDTCVNZUYRKN-ZIAGYGMSSA-N	294.439	2.530	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H]1CCC[C@H](C)C1	160078703	ISKSDPDYJWZXQG-YNEHKIRRSA-N	269.385	2.661	70	20	CFID	
Cc1cc(C)c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)[nH]1	160158233	BMTBETYEJSNGSW-CYBMUJFWSA-N	276.380	2.853	70	20	CFID	
CC[C@@H](NC(=O)CC1CCOCC1)c1c(C)noc1C	160311167	ONCKOUAZWOZDIL-CYBMUJFWSA-N	280.368	2.675	70	20	CFID	
CCCCOCC(=O)N1CCc2c(F)cccc2C1	160798062	AGLZZVAZHCYLEO-UHFFFAOYSA-N	265.328	2.527	70	20	CFID	
C[C@H](CC(=O)N(C)Cc1nccs1)c1ccncc1	160971048	WFGOJIFEDFLXKD-LLVKDONJSA-N	275.377	2.690	70	20	CFID	
CCc1noc(C)c1CNc1cccc(C)c1C(N)=O	159402293	OPOHYUKEHUSEPR-UHFFFAOYSA-N	273.336	2.565	70	20	CFID	
Cc1cccc([C@H]2CCCN2CC(=O)NC2CCCC2)n1	159817358	YJCOUPNZBXBGJS-MRXNPFEDSA-N	287.407	2.586	70	20	CFID	
COC(=O)Cc1cccc(NC(=O)c2ccc(C)cc2O)c1	159453983	BWCHUQNGKAQNJS-UHFFFAOYSA-N	299.326	2.668	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1C[C@@H]1C1CC1	159508630	PQDAJCCVWKGXRM-MGPQQGTHSA-N	263.381	2.641	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(Cl)ccn1	159918329	GVDKOZZBINSYOG-GFCCVEGCSA-N	294.782	2.957	70	20	CFID	
Fc1cccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	159598877	RZNLICIQXPIXKV-ILXRZTDVSA-N	261.340	2.873	70	20	CFID	
C[C@@H]1CCC[C@H](OC[C@@H](C)CS(=O)(=O)Cl)C1	112159672	TVBAECUVURECRR-MXWKQRLJSA-N	268.806	2.786	70	20	CFID	
Cc1ccccc1[C@@H](C)NCc1nnc2n1CCCC2	159711933	NCRCKJWITRBXJG-CYBMUJFWSA-N	270.380	2.774	70	20	CFID	
CCCCCNC(=O)[C@H](C)Nc1ccc(F)c(OC)c1	160242405	YACXGOQDSPHZRZ-NSHDSACASA-N	282.359	2.941	70	20	CFID	
N[C@H](Cc1nc([C@@H]2CCCS2)no1)c1ccccc1	160624861	JDUOMIKGJQHLGM-NEPJUHHUSA-N	275.377	2.880	70	20	CFID	
CCc1nnc(NC(=O)c2ccc(Cl)nc2C)s1	160340749	BYNNSDFJSNKKMX-UHFFFAOYSA-N	282.756	2.710	70	20	CFID	
CC(C)CN(CCCS(=O)(=O)C(C)C)CC(C)C	160797950	ZUDHRHWZXWTJHJ-UHFFFAOYSA-N	277.474	2.814	70	20	CFID	
O=C(NO[C@H]1CCCCO1)N[C@@H]1CCCc2ccccc21	161150095	UNFBEZIMAFYQHC-CABCVRRESA-N	290.363	2.821	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCNC(=O)CC(C)C	161305423	GZOOXHGEGFGJFC-CABCVRRESA-N	296.455	2.966	70	20	CFID	
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@H](N)C1	161385612	GQTSWSGHOQJIQX-UONOGXRCSA-N	299.374	2.650	70	20	CFID	
Cc1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1	161400305	HGANFDYMHNGRSF-MRXNPFEDSA-N	296.418	2.912	70	20	CFID	
COc1c(CNC/C(C)=C/c2ccccc2)c(C)nn1C	160176142	JTBAHJFGSCEONU-JLHYYAGUSA-N	285.391	2.930	70	20	CFID	
C[C@H](CC(=O)N(C)Cc1cscn1)c1ccncc1	160233935	KFEYIKWNKQIDMY-LLVKDONJSA-N	275.377	2.690	70	20	CFID	
COc1ccccc1[C@@H](N)C(=O)NCCCC(C)(C)C	160537265	UTBMWSGDBZDHQM-CQSZACIVSA-N	278.396	2.638	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1csc2ccccc12	160720789	SFVRHOZKADOLEF-JTQLQIEISA-N	291.372	2.973	70	20	CFID	
CCc1nc(CC)n(Cc2noc(C3CCCCC3)n2)n1	160909866	ZHLAZLCRCHDXHX-UHFFFAOYSA-N	289.383	2.882	70	20	CFID	
CCOC[C@H]1CCN(Cc2c(C)nc3ccccn23)C1	160944336	ULFULOXXCXYAFF-AWEZNQCLSA-N	273.380	2.501	70	20	CFID	
CCC1(CNC(=O)NCc2ccnc(OC(C)C)c2)CC1	159454058	AOPGHDNDRXHVOE-UHFFFAOYSA-N	291.395	2.858	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1ccc2c(c1)NC(=O)CC2	159459225	YJUOEMPRTUSJIU-LBPRGKRZSA-N	284.363	2.659	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)NC1CCCCCC1	159466942	MIPSLHKPHDUERL-UHFFFAOYSA-N	284.400	2.740	70	20	CFID	
CC[C@H](C)CS(=O)(=O)N[C@@H](C)Cc1ccc(C)s1	159663711	OZVILQXQBHIUML-QWRGUYRKSA-N	289.466	2.953	70	20	CFID	
C[C@@H](N[C@H](C)c1cccc(F)c1F)C(=O)NC(C)(C)C	159413506	CZWXERAOLZREAJ-NXEZZACHSA-N	284.350	2.919	70	20	CFID	
O=C(NC[C@H]1CCCNC1)c1cc2ccc(F)cc2s1	161198578	LPEHPUSLGNBXSO-JTQLQIEISA-N	292.379	2.770	70	20	CFID	
C[C@H]1C[C@H](NC[C@@H](C)COCc2ccccc2)CCN1C	161295638	XNTQTEOTEOZBPC-SOLBZPMBSA-N	290.451	2.912	70	20	CFID	
C=CCCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675403	MJFZQAKVDDDDBL-UHFFFAOYSA-N	271.313	2.558	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(-c2ncn(C)n2)cc1	161089157	OSTADGZSITULSR-TXEJJXNPSA-N	299.378	2.887	70	20	CFID	
CCOCCC1(CNC(=O)/C=C/c2cccnc2)CCC1	161148798	DBWZOPUCOOXGII-VOTSOKGWSA-N	288.391	2.808	70	20	CFID	
Cc1noc([C@@H]2COCCN2Cc2cc3ccccc3o2)n1	161210044	KQUJITIGUIYGJY-AWEZNQCLSA-N	299.330	2.698	70	20	CFID	
CN(C(=O)c1cccc(-c2ncn[nH]2)c1)c1ccc(F)cc1	161281806	XZIRAHWHJIUIGD-UHFFFAOYSA-N	296.305	2.887	70	20	CFID	
CN(C(=O)C[C@@H]1COC(=O)C1)c1ccc(C(C)(C)C)cc1	160384406	KBFHEXMPFYHVTR-LBPRGKRZSA-N	289.375	2.900	70	20	CFID	
CCCN1CCC(NC(=O)c2ccccc2CC)CC1	160813978	FQRVCQAZRSSSIS-UHFFFAOYSA-N	274.408	2.853	70	20	CFID	
Cc1ccc(-n2cnnc2SCCn2ccnc2)c(C)c1	159712416	LQSCJNMCMFPBIY-UHFFFAOYSA-N	299.403	2.873	70	20	CFID	
CCC[C@](C)(CO)NC(=O)Nc1ccn(CCC(C)C)n1	159540920	FJWKZQHTFPLAPQ-OAHLLOKOSA-N	296.415	2.602	70	20	CFID	
CC[C@H](C)[C@H](NCc1ccn(C)c1)C(=O)OC(C)(C)C	159548301	SRWATFCRSQNEBG-JSGCOSHPSA-N	280.412	2.871	70	20	CFID	
CC[C@@H]1CN(C(=O)[C@@H](C)c2ccsc2)C[C@@H](C)O1	159784331	RVHKEFLVJFQJIK-NTZNESFSSA-N	267.394	2.878	70	20	CFID	
CSc1ccc(C)c(C(=O)NCC2(CO)CCCC2)c1	160307633	GVENWHGFWVOUBJ-UHFFFAOYSA-N	293.432	2.999	70	20	CFID	
C[C@@H](CC(=O)NCCCC(C)(C)C)[C@H]1CCCNC1	160538378	JBKAQMIXBQYJAQ-KBPBESRZSA-N	268.445	2.955	70	20	CFID	
CSC[C@](C)(O)CNCc1ccccc1C(F)(F)F	217867481	GIBOFKJKCZJCRQ-GFCCVEGCSA-N	293.354	2.909	70	20	CFID	
Cc1nnc(C(=O)N[C@@H]2CCCc3sccc32)s1	161169780	HIGOSVZTFSYINA-SECBINFHSA-N	279.390	2.715	70	20	CFID	
C[C@H](CC(=O)Nc1ccn(CC(F)F)n1)c1ccncc1	161258214	QSMVMTMMPMGMKW-SNVBAGLBSA-N	294.305	2.676	70	20	CFID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(N)=O)s1	161266900	RUVPOYNMJJTNDD-QWRGUYRKSA-N	294.420	2.888	70	20	CFID	
CC[C@H](NC(=O)c1cccnc1)c1c(C)noc1C	160123701	VHWLANJEGILXHQ-LBPRGKRZSA-N	259.309	2.568	70	20	CFID	
Cc1cc(N2CCC(n3ccnn3)CC2)c2ccccc2n1	160214865	SMUMKYUDALJVDH-UHFFFAOYSA-N	293.374	2.976	70	20	CFID	
CC(C)(C(=O)NC[C@@H]1CCN(C2CC2)C1)C1CCCC1	160668850	KXXLXYQYNFECRU-ZDUSSCGKSA-N	278.440	2.803	70	20	CFID	
CS[C@@H](C)CNC(=O)NC[C@H]1[C@H]2Cc3ccccc3[C@H]12	160729876	KYNIWGUIPVBYLI-PUPMMZHASA-N	290.432	2.623	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@H]1CCc2cc(F)ccc21	160844042	SVGPIVDBEAPLCT-HZMBPMFUSA-N	265.328	2.744	70	20	CFID	
Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCC[C@@H](N)C2)cc1	160982560	VKGXYSCHUUWRRL-KGLIPLIRSA-N	299.374	2.650	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(C)no2)n1	160985939	CFYCUKIOTPAVPW-UHFFFAOYSA-N	297.318	2.583	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(F)c(F)c1	159629130	MWELLNJVLNZWFE-ZUZCIYMTSA-N	298.333	2.582	70	20	CFID	
COc1ccc(N(C)C(=O)c2c(C)noc2C)cc1F	159766478	ITGWDEYLLFTUMD-UHFFFAOYSA-N	278.283	2.716	70	20	CFID	
O[C@@H]1CCCC[C@H]1CNCc1cccc2c1NCCC2	159425548	MSFFGBQYEUWHCP-GOEBONIOSA-N	274.408	2.685	70	20	CFID	
CN(CCOc1cccc(Cl)c1)C[C@@H]1CCC[C@@H]1O	159723756	CJVMRIYOAGWEOF-WFASDCNBSA-N	283.799	2.812	70	20	CFID	
CCCn1nccc1CNC[C@@H](C(C)C)N1CCCC1	159990063	GUNSAHPQYRFHKN-INIZCTEOSA-N	278.444	2.503	70	20	CFID	
CCO[C@@H]1C[C@@H](NCC2(N(C)C)CCCC2)C12CCC2	160686121	DIZIAYMVQKQBDX-HUUCEWRRSA-N	280.456	2.798	70	20	CFID	
C[C@H](CCOCC(F)(F)F)CCS(=O)(=O)Cl	114640233	CCJXFIMUGDBZLQ-SSDOTTSWSA-N	282.711	2.550	70	20	CFID	
C[C@H](CN[C@@H]1CCCc2cccnc21)N(C)C1CC1	217596194	RZYUUSKRARDKOV-IUODEOHRSA-N	259.397	2.531	70	20	CFID	
CCC(=O)c1cccc(NC(=O)N[C@@H](COC)C2CC2)c1	161205455	RTOAIZROKDXDLY-AWEZNQCLSA-N	290.363	2.826	70	20	CFID	
Cc1ccc(C(C)(C)CN(C)C(=O)C[C@@H]2CCCN2)cc1	161257764	ORKQOQMVJVSAPF-INIZCTEOSA-N	288.435	2.873	70	20	CFID	
CCC(CC)(CN)C(=O)Nc1cc(CN(C)C)ccc1C	161300115	KYSGRWIIWGHPET-UHFFFAOYSA-N	291.439	2.760	70	20	CFID	
CC[C@@H](NC(=O)Nc1cccc(COC)c1)[C@H]1CCCO1	160578423	BGWFLZBCZYODSH-HUUCEWRRSA-N	292.379	2.912	70	20	CFID	
O=C(NC1CC=CC1)[C@@H]1SCCc2sccc21	160766177	OMJWODIWJYVIGK-GFCCVEGCSA-N	265.403	2.913	70	20	CFID	
O=C(Nc1ccn(CC(F)(F)F)n1)NC1CCCCC1	160766964	CAYMVXCJBAKGOX-UHFFFAOYSA-N	290.289	2.900	70	20	CFID	
CC[C@H](C(=O)N(C)C[C@@H]1CCOC1)c1ccc(F)cc1	160794492	VVUIJBYOFHCUSA-WFASDCNBSA-N	279.355	2.814	70	20	CFID	
C[C@@]1(c2ccccc2)CCCN(CCn2ccnc2)C1	159827129	ZCPIFZVDKIOGML-QGZVFWFLSA-N	269.392	2.937	70	20	CFID	
CC[C@H](SC)C(=O)NCCOc1ccccc1Cl	159454745	IEMZHXKACRUFGT-LBPRGKRZSA-N	287.812	2.977	70	20	CFID	
CC1(CNC(=O)NC(C)(C)c2cccc(Cl)c2)COC1	159850734	WWUVBWQIADLWCN-UHFFFAOYSA-N	296.798	2.911	70	20	CFID	
CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159721537	MFVHNVDHLDAEBG-QLFBSQMISA-N	260.381	2.566	70	20	CFID	
C[C@@H](CC(=O)N1CCC[C@@H](O)C1)C1CCCCC1	159932553	UIPUZVAQJGYMGA-GXTWGEPZSA-N	253.386	2.576	70	20	CFID	
CCC(CC)c1nnc(NC(=O)[C@H]2CCCCO2)s1	159751926	MUPYMPLRFSVQBC-SNVBAGLBSA-N	283.397	2.949	70	20	CFID	
CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cn[nH]c1	159774541	YJPZYVBCTPJERB-CQSZACIVSA-N	257.337	2.863	70	20	CFID	
c1csc([C@@H]2CCCN(CCOCC3CC3)C2)n1	160000924	KQHSDJPAFFFBSD-CYBMUJFWSA-N	266.410	2.749	70	20	CFID	
FC(F)(F)c1nnc(N[C@@H]2CCN3CCC[C@H]3C2)s1	160343148	WNIAFHPCCMQTBM-SFYZADRCSA-N	292.330	2.596	70	20	CFID	
CN[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1	161199989	BJXVOYYNVOQQBZ-GFCCVEGCSA-N	292.379	2.864	70	20	CFID	
C[C@@H]1CCC[C@@H](CNc2nnnn2-c2ccccc2)C1	217921920	LXFPRDFAAGPZJA-CHWSQXEVSA-N	271.368	2.901	70	20	CFID	
CCOc1ccc(CN[C@H]2CCN3CCCC[C@@H]23)cc1	217644413	GBBKTUWDMNYVAZ-IRXDYDNUSA-N	274.408	2.802	70	20	CFID	
CC1(CNc2ccc(C(F)(F)F)nn2)CCOCC1	218063140	QAVOUDOEDUEIMI-UHFFFAOYSA-N	275.274	2.724	70	20	CFID	
C[C@@H](Cc1ccccc1F)NCCNC(=O)OC(C)(C)C	218126691	BQWZKMZKFWTALZ-LBPRGKRZSA-N	296.386	2.871	70	20	CFID	
COC(CN1C[C@@H](C)C[C@H]1c1cccc(F)c1)OC	161271506	LRHPOJPLFVQBHN-FZMZJTMJSA-N	267.344	2.828	70	20	CFID	
CS[C@H]1CCC[C@H](NC(=O)NC2(C)CCC2)C1	161342705	PDJMYWYGMADSNU-QWRGUYRKSA-N	256.415	2.902	70	20	CFID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCCF	160043422	HKKQNZUABRRIBB-JTQLQIEISA-N	257.736	2.994	70	20	CFID	
CC(C)(C)CCS(=O)(=O)NCC1(C2CC2)CC1	160114375	BTPMZEKXDCRHKA-UHFFFAOYSA-N	259.415	2.532	70	20	CFID	
CCN(CCNC(=O)[C@H](C)Cc1ccccc1F)C(C)C	160177206	QOOTYQPHKUJZPR-CQSZACIVSA-N	294.414	2.851	70	20	CFID	
CC(C)CCO[C@H](C)C(=O)NCCc1cccc(O)c1	160251856	PGOQDNNGRDLFFH-CYBMUJFWSA-N	279.380	2.502	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1	160411265	VMPXUBOCRCOSFY-RHSMWYFYSA-N	286.375	2.954	70	20	CFID	
C[C@H](NC(=O)C1CCC(C)(C)CC1)c1cnn(C)c1	160651993	GLHBKXFGJQZHOS-NSHDSACASA-N	263.385	2.814	70	20	CFID	
O=C(CNCC1CC1)Nc1ccccc1CC(F)(F)F	160799769	QQWSPYQXIFQQSU-UHFFFAOYSA-N	286.297	2.730	70	20	CFID	
C[C@H](N[C@H](CCCO)c1ccccc1)C1CCN(C)CC1	160903826	MBFGPCLDKZLTNE-MAUKXSAKSA-N	290.451	2.820	70	20	CFID	
Cc1nn(C)c2ncc(NC(=O)N[C@H](C)C3CCC3)cc12	160911902	FKOZVSAEICIPMX-SECBINFHSA-N	287.367	2.587	70	20	CFID	
CCOCCCN(Cc1ccco1)C[C@@H]1CCCO1	159587114	NDVCZSWBHYEXDH-HNNXBMFYSA-N	267.369	2.687	70	20	CFID	
CCC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1	857674210	FSBXYSPVHQLUQS-UHFFFAOYSA-N	289.303	2.613	70	20	CFID	
C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)F)c1	1354886270	SBNATWQHTJHHRQ-ZYHUDNBSSA-N	299.367	2.511	70	20	CFID	
COc1ccc(CNCc2cccc3cc[nH]c23)cn1	218091564	WLNXZYNNNVIYBJ-UHFFFAOYSA-N	267.332	2.861	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)c2ccc(O)cc2O)s1	218210312	GZSOJTXCEXUUCL-VIFPVBQESA-N	277.345	2.959	70	20	CFID	
CCCSCC(=O)N1CCc2c(F)cccc2C1	161113148	ZZFUQDRVYHRBMW-UHFFFAOYSA-N	267.369	2.854	70	20	CFID	
Cc1n[nH]cc1CN(C)CCOc1ccc(Cl)cc1	161165362	CFKWWWWZMBAMLF-UHFFFAOYSA-N	279.771	2.882	70	20	CFID	
C[C@H]1C[C@H](NCCOc2ccc(F)cc2F)[C@H](C)CN1C	160078466	VEUBQSJRVYEBQD-XUJVJEKNSA-N	298.377	2.662	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C1CCCC1)C1CC1	160086950	QHTCZUZAPFJADN-UHFFFAOYSA-N	296.411	2.835	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160226489	XNEOIVIDPMNIQZ-OTYXRUKQSA-N	274.324	2.748	70	20	CFID	
c1ccn2c(CN3CCC[C@@H](N4CCCC4)CC3)cnc2c1	160548588	AMPHIOWKZADASR-MRXNPFEDSA-N	298.434	2.785	70	20	CFID	
CCC[C@H](CC1CCCC1)C(=O)N1CC[C@H](NC)C1	160584059	NWQSOVONLPQHMJ-CABCVRRESA-N	266.429	2.803	70	20	CFID	
CCc1cc(NC(=O)C[C@@H](C)c2ccncc2)n(C)n1	160632093	HYIAMLLCOZZRQW-LLVKDONJSA-N	272.352	2.510	70	20	CFID	
Cc1ccc([C@H](C)NCCCCN2CCC[C@@H]2CO)cc1	160753966	RZXYEUVWPHGBNF-FUHWJXTLSA-N	290.451	2.883	70	20	CFID	
CC(C)NCCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1	160891176	CJMHDGXFBNNULZ-KGLIPLIRSA-N	262.397	2.683	70	20	CFID	
CC(C)=C[C@H]1[C@@H](C(=O)Nc2c[nH]c(=O)c(C)c2)C1(C)C	159613938	SRZMOCDEDBEDNG-STQMWFEESA-N	274.364	2.860	70	20	CFID	
C[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCC1	159673897	ZNTJNOMACSFRDK-NSHDSACASA-N	289.379	2.699	70	20	CFID	
CC[C@H](NC1CC(C)(C)NC(C)(C)C1)[C@@H]1CCOC1	159628101	WPAFVXQJDXBCMT-OCCSQVGLSA-N	268.445	2.700	70	20	CFID	
O=C(CCc1ccco1)Nc1cccc(S(=O)(=O)F)c1	460087223	ACHGCBIYFJOXIM-UHFFFAOYSA-N	297.307	2.509	70	20	CFID	
CC[C@H](N[C@@H](CCO)CSC)c1ccc(OC)cc1	160250057	DGMBZNAJZZEWIC-ZFWWWQNUSA-N	283.437	2.850	70	20	CFID	
O=C([C@@H]1CC1(Cl)Cl)N1CCc2c(F)cccc2C1	160844316	HVYZYPUXEFFWEW-JTQLQIEISA-N	288.149	2.904	70	20	CFID	
CCOC(=O)[C@H](C)N[C@@H](CC)c1ccc(F)cc1F	161003615	KXKBFJFSYYCVLW-ZANVPECISA-N	271.307	2.957	70	20	CFID	
Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C)[C@@H]2C)cc1	161342602	FHPIKYNGTCHZRI-IHRRRGAJSA-N	276.380	2.875	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)CC1CCCC1	160103179	PXEBEYLOOPGDGA-CABCVRRESA-N	294.439	2.768	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CC[C@@H](C)C[C@H]1C	160166929	QLMDPXQDTLRJFT-CHWSQXEVSA-N	284.400	2.548	70	20	CFID	
COc1ccc([C@H](C)N[C@@H](CCO)CSC)cc1F	160218373	LWYJXAHKJKWYOI-JQWIXIFHSA-N	287.400	2.599	70	20	CFID	
CSC[C@H](C)C(=O)NCCCSCC(C)C	160736533	XGEQZCVHXMTTQQ-NSHDSACASA-N	263.472	2.881	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)[C@H](C)OC1CCCCCC1	160792321	HFNBGXSTIVIGLJ-UONOGXRCSA-N	285.428	2.638	70	20	CFID	
CCN(CC1CC1)C(=O)Nc1ccn(CC(F)(F)F)n1	160807990	PLYHHPZKPZVPSD-UHFFFAOYSA-N	290.289	2.709	70	20	CFID	
C[C@H](O)C[C@@H](CNC(=O)c1ccoc1)c1ccccc1	159614547	KYSFCIAIVMUSBN-WFASDCNBSA-N	273.332	2.564	70	20	CFID	
CC(=O)Nc1ccc(/C=C/C(=O)NCC2(C3CC3)CC2)cc1	159673565	OYDZDQKMURMKIK-RUDMXATFSA-N	298.386	2.965	70	20	CFID	
CC[C@H]1CCCN(C(=O)NCCc2cscn2)CC1	159495400	ITQXMANDWPZYBF-LBPRGKRZSA-N	281.425	2.907	70	20	CFID	
CSC[C@@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159708506	IMYAFBWWYHMLDD-LLVKDONJSA-N	284.429	2.802	70	20	CFID	
CCCCSCCC(=O)NCCN1CCC[C@@H](C)C1	159900811	XGSOTPATMHBLMV-CQSZACIVSA-N	286.485	2.758	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)NC1CCCC1	159394761	JTVZLPITYMXFLD-UHFFFAOYSA-N	276.380	2.580	70	20	CFID	
CC1(C)CC[C@@H](COC(=O)c2cc(F)c(N)cc2F)O1	160794956	UTSDQIAUWVIKLV-QMMMGPOBSA-N	285.290	2.661	70	20	CFID	
C[C@H](NCc1coc2ccccc12)c1nnc2n1CCC2	161088370	JKWLCABEFOWLOG-NSHDSACASA-N	282.347	2.821	70	20	CFID	
CCCC1(CCC)NC(=O)N(Cc2nccs2)C1=O	161124769	USNOBGOXERLJLK-UHFFFAOYSA-N	281.381	2.534	70	20	CFID	
CN(Cc1cnc(N(C)C)nc1)Cc1cccc(Cl)c1	161133220	OVRRTYJVFRGEGW-UHFFFAOYSA-N	290.798	2.828	70	20	CFID	
CC(C)CC[C@@H](C)NC(=O)N[C@H](CCO)C(C)(C)C	161160510	BOCLHGHMQXDCTA-CHWSQXEVSA-N	272.433	2.907	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1Cc1ccc(COC)cc1	161256218	HLFIZBMPKDVWEX-MRXNPFEDSA-N	291.391	2.751	70	20	CFID	
CC1=C(C(=O)NCc2ccnc(OC(C)C)c2)CCCO1	161430183	OJNMDFQZJCIUTB-UHFFFAOYSA-N	290.363	2.569	70	20	CFID	
C[C@@H](NC(=O)NCC(F)(F)F)c1cccc(F)c1F	160045611	OHDUOQNLZYRLCI-ZCFIWIBFSA-N	282.212	2.887	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)o3)[nH]2)o1	160203096	HYIUYRUOAIIDTR-UHFFFAOYSA-N	292.682	2.872	70	20	CFID	
NC(=O)CC[C@H]1CCCN(CCC2CCCC2)C1	160329544	JSCJDKSENJERPS-CQSZACIVSA-N	252.402	2.544	70	20	CFID	
Cc1ccc([C@H]2[C@@H](C)CCCN2S(=O)(=O)N(C)C)cc1	160344322	XNWRTHXIWRIKIT-DZGCQCFKSA-N	296.436	2.574	70	20	CFID	
CSC[C@H](CCO)N[C@H](C)c1ccc(C)cc1	160396712	AEIQYPQWJWNMJX-OCCSQVGLSA-N	253.411	2.760	70	20	CFID	
COCC[C@@H](C)NC[C@H](C1CCCCC1)N(C)C	160416921	GIOQXDXEBLQMIU-UKRRQHHQSA-N	256.434	2.512	70	20	CFID	
CCO[C@H]1C[C@H](N(C)C(=O)CCCCCCN)C1(C)C	160498450	IKUSHIKWOXUYHW-KBPBESRZSA-N	284.444	2.558	70	20	CFID	
COc1ccc(NC(=O)NC[C@H](C)SC)cc1F	160557297	RECWMQSPWWJTER-QMMMGPOBSA-N	272.345	2.707	70	20	CFID	
CCC[C@](C)(O)C(=O)NCCc1csc(C(C)(C)C)n1	160630243	HLLAMJDFDIUCHV-HNNXBMFYSA-N	298.452	2.650	70	20	CFID	
C[C@H](Sc1ccccc1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160715276	NUBVEXQXSJXCFH-MELADBBJSA-N	290.432	2.520	70	20	CFID	
CC[C@@H](O)CCNC(=O)N[C@@H](C)c1ccc(Cl)cc1	160720172	UXYUWZGQMFIFAT-GXFFZTMASA-N	284.787	2.861	70	20	CFID	
CC(C)(C(=O)NC1CC=CC1)c1ccc2c(c1)OCCO2	160780355	HAOFMFOHYPTZTJ-UHFFFAOYSA-N	287.359	2.570	70	20	CFID	
O=C(NOCc1cccnc1)NC1CCCCCCC1	160985305	KQGNOJPOIMLGFE-UHFFFAOYSA-N	277.368	2.925	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H]2CCC[C@H]2OC)c1C	159641462	KAEFGVXXFWHKMU-TZMCWYRMSA-N	294.399	2.681	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](COC)C(C)C)c1C	159940189	SPMNDALPGVAZBD-AWEZNQCLSA-N	296.415	2.784	70	20	CFID	
COc1nc(C)nc(N2CC[C@@H](Nc3ccccc3)C2)c1C	159375086	UZAWJXVVSXPNGB-OAHLLOKOSA-N	298.390	2.793	70	20	CFID	
CC(C)(C)OC(=O)N1CCCN(C(=O)[C@H]2CC2(C)C)CC1	159989489	XVIVILGMAYKCSA-GFCCVEGCSA-N	296.411	2.502	70	20	CFID	
Fc1cc(F)cc(CNC2CCN(C3CC3)CC2)c1	159664218	NVZGWKQRYKRZRF-UHFFFAOYSA-N	266.335	2.681	70	20	CFID	
CC[C@H](CCO)NC(=O)c1cc(Cl)nc2ccccc12	160135705	WDLGVERIWMHREK-SNVBAGLBSA-N	292.766	2.779	70	20	CFID	
CC(C)CO[C@H]1C[C@H](NCC2(CO)CCCC2)C1(C)C	160106594	CMVOORDXYHSJQC-GJZGRUSLSA-N	283.456	2.968	70	20	CFID	
CC(C)n1ccnc1CN1CCN(C2CCCC2)CC1	160760329	VEUBZWDKFFZBAJ-UHFFFAOYSA-N	276.428	2.524	70	20	CFID	
BrCC1(CBr)CSC1	167434171	PVQPYVMYPSRNCQ-UHFFFAOYSA-N	259.994	2.509	70	20	CFID	
CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CO	161148748	BKUNSIYVICGFQP-CZUORRHYSA-N	290.407	2.947	70	20	CFID	
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[C@@H](C)N)cc1	161235111	AURGJYPCEQUJAM-GZBFAFLISA-N	260.381	2.642	70	20	CFID	
CS[C@@H](C)CC(=O)N(C)[C@@H](C)c1cccnc1	161488685	KLMBDKLZQLQINW-QWRGUYRKSA-N	252.383	2.743	70	20	CFID	
C[C@H](CC(=O)NC[C@H]1CCN(C)C1)c1ccc(F)cc1F	160100790	MLTXYKXZSJLOCB-VXGBXAGGSA-N	296.361	2.526	70	20	CFID	
CCCCn1ncc(NC(=O)NCc2cccnc2)c1C	160201382	IDPJUWHARFLKTG-UHFFFAOYSA-N	287.367	2.708	70	20	CFID	
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cccc(F)n1)C2	160511646	RRZABKJMZAOJOB-ZDUSSCGKSA-N	286.306	2.780	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccc(F)cc1OC)[C@@H]1CCCO1	160540809	WXRYZIRSIAQANW-YPMHNXCESA-N	296.342	2.913	70	20	CFID	
CC[C@H](O)CCNC(=O)N[C@@H](C)c1ccc(Cl)cc1	160720044	UXYUWZGQMFIFAT-GWCFXTLKSA-N	284.787	2.861	70	20	CFID	
CCCC1(CN[C@H](C(N)=O)c2ccc(F)cc2)CC1	160772360	YCVDBEYEMCFWOH-ZDUSSCGKSA-N	264.344	2.522	70	20	CFID	
CC[C@@H](C)OCC(=O)NC[C@@H](CC)Oc1ccccc1F	160921577	XTDHMFXFFDCAIN-CHWSQXEVSA-N	297.370	2.914	70	20	CFID	
CCC[C@](C)(CO)NC(=O)Nc1ccnc(C)c1Cl	159748377	UZFPSYDGIXUCJA-CYBMUJFWSA-N	285.775	2.716	70	20	CFID	
COC[C@H](NC(=O)Nc1ccn(CCC(C)C)n1)C(C)C	159697660	PZXLRQHNFRWQNK-ZDUSSCGKSA-N	296.415	2.722	70	20	CFID	
CCOC(C)(C)CNc1ncnc2sccc12	159541876	YBUQTNRLUBTBAU-UHFFFAOYSA-N	251.355	2.918	70	20	CFID	
O=C(NC1CC=CC1)N1CCc2cccc(F)c2C1	159982585	DDADQYGQPDCJJC-UHFFFAOYSA-N	260.312	2.612	70	20	CFID	
C[C@H]1C[C@@H](OCCCS(=O)(=O)Cl)CC[C@H]1C	113572037	FKDFUPJFZSKARJ-VWYCJHECSA-N	268.806	2.786	70	20	CFID	
FC(F)(F)COCCNCc1cccc2c1NCCC2	159416925	SYSHVMUBUCIVCI-UHFFFAOYSA-N	288.313	2.713	70	20	CFID	
COc1cccc2cc(CN[C@@]3(C)CCOC3)oc12	160190257	SUXLMSGURLFQEU-HNNXBMFYSA-N	261.321	2.710	70	20	CFID	
O=S(=O)(Cc1ccc(Cl)cc1)N1[C@H]2C=CC[C@H]1CC2	218762064	CRXRWMICFOWNSP-KBPBESRZSA-N	297.807	2.963	70	20	CFID	
CS[C@@H](C)C(=O)N[C@@H]1CCCc2sccc21	159931872	PVOCUKZYLGSAKL-WCBMZHEXSA-N	255.408	2.993	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(OC)cc1OC	161030293	YHJXVNPLXXLGBU-XJKSGUPXSA-N	277.364	2.756	70	20	CFID	
CCC(C)(C)NC(=O)[C@H](C)Sc1ccncc1	160026239	DNBAOEOMRATFGD-JTQLQIEISA-N	252.383	2.867	70	20	CFID	
CC(C)(CCCc1ccccc1)CNC(=O)CCCN	160122784	VHBAACQWPNXHHI-UHFFFAOYSA-N	276.424	2.891	70	20	CFID	
Cc1cnc(NC[C@](C)(O)c2ccccc2Cl)nc1	160165439	WVNHFWXPCBJDBS-AWEZNQCLSA-N	277.755	2.758	70	20	CFID	
Cc1ccc(SCCNC(=O)[C@H]2CCCCO2)cc1	160178038	QACZRVYHMCBBGI-CQSZACIVSA-N	279.405	2.772	70	20	CFID	
CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](N)C1	160275383	QBJXBBGCNAQUSM-HUUCEWRRSA-N	266.429	2.789	70	20	CFID	
NC(=O)[C@@H]1CCCN1Cc1cc(-c2ccccc2)cs1	160362807	IJVLLPSWLFTQNP-HNNXBMFYSA-N	286.400	2.865	70	20	CFID	
CC[C@H](NC(=O)CC[C@@H]1CCOC1)c1c(C)noc1C	160667465	BXBUKCHGYXHWGY-OLZOCXBDSA-N	280.368	2.675	70	20	CFID	
Cc1cccc2nc(CNC(=O)Cc3cccs3)n(C)c12	159800232	DYMMKGOXNHQGLU-UHFFFAOYSA-N	299.399	2.802	70	20	CFID	
Cc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1C	159634156	QMYPBQGALUVJFD-UHFFFAOYSA-N	280.331	2.837	70	20	CFID	
Cc1cc(C)cc(CCC(=O)N2CCO[C@@H](C)[C@H]2C)c1	159478486	DXKVWPCZBVUTEX-CABCVRRESA-N	275.392	2.872	70	20	CFID	
COC[C@@H](NC(=O)c1cccc2[nH]cnc12)c1ccc(C)o1	159782677	OLGACYHZFZRRBQ-CYBMUJFWSA-N	299.330	2.582	70	20	CFID	
C[C@H](CCC(C)(C)C)NC(=O)CC1CCNCC1	159771678	YNQUUTPATTVCKK-GFCCVEGCSA-N	254.418	2.707	70	20	CFID	
NC(=O)CC1CCN(Cc2cc(Cl)ccc2F)CC1	159809554	OLQASAAQXWSDAR-UHFFFAOYSA-N	284.762	2.567	70	20	CFID	
CCn1nc(C)c(CN[C@H]2CCOC(C)(C)C2)c1C	160560510	VJXRHPYSULDDOV-ZDUSSCGKSA-N	265.401	2.567	70	20	CFID	
CCc1ccc([C@@H](NC(=O)COCCOC)C(C)C)cc1	218629751	AQDHHXWJFTWCSV-KRWDZBQOSA-N	293.407	2.725	70	20	CFID	
C[C@@H]1CCC[C@H](CNC2=NS(=O)(=O)c3ccccc32)C1	218046994	FCFITFJQNYALQA-NEPJUHHUSA-N	292.404	2.551	70	20	CFID	
C[C@@H](CCO)CNC(=O)CCc1ccc2ccccc2c1	161015228	KCJLEIWBSWGTCO-AWEZNQCLSA-N	285.387	2.907	70	20	CFID	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC2(C)C)C1	161069157	BJRZKLVFFOENHO-MCIONIFRSA-N	294.439	2.576	70	20	CFID	
CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CC[C@H](N)C1	161105558	MSCGNGAHDTUDGS-OWCLPIDISA-N	274.408	2.594	70	20	CFID	
CCCOc1ccc(OCCN2CCC(C)(O)CC2)cc1	161221710	BMYJOUZEBDGDCF-UHFFFAOYSA-N	293.407	2.701	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N(C)C[C@H]2CCCCO2)on1	161432618	HVLAVAJYXNVRNJ-NWDGAFQWSA-N	280.368	2.829	70	20	CFID	
c1ccc(-n2nnnc2COc2ccc3[nH]ccc3c2)cc1	160061718	HNAVQJLRNPQDKU-UHFFFAOYSA-N	291.314	2.723	70	20	CFID	
O=C(CC1CCNCC1)Nc1ccccc1OCC1CC1	160526675	BNFDDMOATXVTAO-UHFFFAOYSA-N	288.391	2.804	70	20	CFID	
CCC[C@H](C(=O)Nc1c(C)ccn(C)c1=O)C(C)C	160552616	NLVKUGFKRJPJHN-LBPRGKRZSA-N	264.369	2.705	70	20	CFID	
CCC(CC)c1cc(C(=O)NCc2nccs2)on1	160738611	BJOKXBFCDRDJSA-UHFFFAOYSA-N	279.365	2.965	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1cc(CN(C)C)ccc1C	160942435	RNPWXBTWHJTDGC-CYBMUJFWSA-N	278.396	2.810	70	20	CFID	
O=C(Cc1cc(F)c(F)cc1F)OC[C@@H]1CCCCO1	159446604	FYHBFXNLXKUWAP-JTQLQIEISA-N	288.265	2.759	70	20	CFID	
CCOCCCN(C)CCCc1ccc(OC)cc1	159533236	DXPFUTLSUDEDIA-UHFFFAOYSA-N	265.397	2.986	70	20	CFID	
Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCCO1	159956209	NWRQOOZSCPAYGO-OAHLLOKOSA-N	259.349	2.843	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)c1csc2c1CC[C@@H](C)C2	161329234	OZUOPMRWQZVISI-NEPJUHHUSA-N	292.448	2.697	70	20	CFID	
CCC[C@@](C)(N)C(=O)NC12CC3CC(CC(C3)C1)C2	216830081	KCDJNRAXULELPZ-ANNMTPNPSA-N	264.413	2.589	70	20	CFID	
CC[C@H](C)N(C)CCNCc1ccc(OC)c(OC)c1	217383253	SKZSUSZYCAOSBJ-ZDUSSCGKSA-N	280.412	2.524	70	20	CFID	
CCN1CCC(NCc2cccc3cc[nH]c23)CC1	218077190	NKXQGKDBVACAHQ-UHFFFAOYSA-N	257.381	2.742	70	20	CFID	
CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H](N)C1	161245141	CJHPCYXSEOCBIB-BBWFWOEESA-N	288.435	2.887	70	20	CFID	
CCCC[C@@H](CC)CNC(=O)N(C)C[C@@H](O)C1CC1	161466988	HDWRLFSHODRCSJ-TZMCWYRMSA-N	270.417	2.615	70	20	CFID	
CCCn1nccc1CNC[C@@]1(N(C)C)CCC[C@H](C)C1	160113132	FCZKKDZPKGZXHY-DOTOQJQBSA-N	292.471	2.893	70	20	CFID	
O=C(N[C@H](c1ccccc1)c1ccncc1)[C@@H]1CCCCO1	160115830	VVCWWVXTPQCHOL-DLBZAZTESA-N	296.370	2.856	70	20	CFID	
COc1ccc(NC(=O)N(C)CCC2CC2)c(C)n1	160300876	ULKIVDGDPZHBHI-UHFFFAOYSA-N	263.341	2.662	70	20	CFID	
O=C(Nc1cc2c(cc1Cl)OCO2)[C@@H]1CCCCO1	160338737	BEAQVZIORJUVDY-JTQLQIEISA-N	283.711	2.576	70	20	CFID	
CC(C)CCO[C@H](C)C(=O)N(C)c1ccc2c(c1)OCO2	160365277	NDVZKGJEMGSILC-GFCCVEGCSA-N	293.363	2.829	70	20	CFID	
C[C@H](NC[C@@H](C1CCCCC1)N(C)C)c1cnccn1	160402574	LRIHMFFEYMIFAK-BBRMVZONSA-N	276.428	2.638	70	20	CFID	
C[C@@H](CC(=O)Nc1ccc(N(C)C)cn1)c1ccncc1	160531849	LYRNZVQXEOESFK-LBPRGKRZSA-N	284.363	2.675	70	20	CFID	
CSC[C@](C)(O)CNC(=O)CC[C@H](C)c1ccccc1	160598852	IMPRWIAKNYFJLK-XJKSGUPXSA-N	295.448	2.801	70	20	CFID	
CCc1cc(O)nc(CN2CCC[C@H]2Cc2ccccc2)n1	160654527	WAQZAGSUGANUEJ-INIZCTEOSA-N	297.402	2.952	70	20	CFID	
CCCCN(C)C(=O)CSc1nc(C2CC2)ns1	160699505	MLXPSKURBLMLFU-UHFFFAOYSA-N	285.438	2.766	70	20	CFID	
Cc1ocnc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160710357	XYDAZCHVZXIAHO-GFCCVEGCSA-N	278.352	2.595	70	20	CFID	
CCOC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1	160960291	BGXOUOIRZOQQGY-ZANVPECISA-N	299.729	2.562	70	20	CFID	
COc1ccnc(C(=O)N[C@@H]2CCCc3sccc32)c1	159812789	JDBCJLQOIGDAML-GFCCVEGCSA-N	288.372	2.959	70	20	CFID	
O=S(=O)(c1cccs1)N1CC[C@@H]2CCCC[C@@H]21	159812847	UFEUTUICDJYUKD-QWRGUYRKSA-N	271.407	2.701	70	20	CFID	
CCO[C@@H]1C[C@H](N(C)C(=O)c2ccccc2O)C12CCC2	159479451	YKTQLOLUWRHJST-LSDHHAIUSA-N	289.375	2.812	70	20	CFID	
COc1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1	159685141	JYKFEBFHBNJVMD-BBRMVZONSA-N	288.391	2.898	70	20	CFID	
COCC[C@@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1	159715373	BWUBAKFQFLVFIA-GFCCVEGCSA-N	299.798	2.877	70	20	CFID	
CC(C)(C)c1nc(CS(=O)(=O)Cl)cs1	100553723	AKBKTSJZVGKRTE-UHFFFAOYSA-N	253.776	2.509	70	20	CFID	
CN(c1nc(C(C)(C)C)ns1)C1CCC(CO)CC1	159958384	CGBCHDTUKNKNAZ-UHFFFAOYSA-N	283.441	2.823	70	20	CFID	
CN(CCCCS(C)(=O)=O)Cc1cccc(Cl)c1	161178631	JGVVSVCZDULJPN-UHFFFAOYSA-N	289.828	2.597	70	20	CFID	
Cc1cccc(C(=O)N[C@@H](C)c2cnn(C)c2C)c1F	161452146	PGLDYVIOSLEGBB-JTQLQIEISA-N	275.327	2.667	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)NCC1(C2CC2)CC1	159716572	OVRFXKOCSIEVOE-UHFFFAOYSA-N	264.756	2.963	70	20	CFID	
CCC[C@H](C)N(C)C[C@@H](O)c1cc(OC)ccc1OC	217019020	UBQBFQLYBOPWOY-SWLSCSKDSA-N	281.396	2.858	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ncn1	161260820	MYEPEWOHBOJBJD-UHFFFAOYSA-N	281.768	2.772	70	20	CFID	
CCc1nnsc1C(=O)N[C@H]1CCCc2sccc21	160130910	MTKHUHYCNOTMEG-JTQLQIEISA-N	293.417	2.969	70	20	CFID	
O=S(=O)(NCC1(C2CC2)CC1)c1ccc(Cl)s1	160137538	MKYWPABGVOCXPH-UHFFFAOYSA-N	291.825	2.870	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)CCc3ccoc3)[nH]2)o1	160173117	OWSIHXJRLMJVPO-UHFFFAOYSA-N	286.291	2.537	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCC[C@H]1Cc1ccccc1	160605591	VMQKUSAGIYGEQA-JKSUJKDBSA-N	273.376	2.789	70	20	CFID	
CC(C)[C@H](NC(=O)NC1(C)CCC1)c1nc(C2CC2)no1	160641176	QXZNCCFKBCLMMY-NSHDSACASA-N	292.383	2.886	70	20	CFID	
CC[C@@H](NC(=O)C[C@H]1CCCN1)c1cc(F)ccc1F	160659515	BMCVYRPRCHAINV-BXUZGUMPSA-N	282.334	2.674	70	20	CFID	
CC(=O)Nc1ccc(NC(=O)N[C@H](C)C2CCC2)cc1	159812140	JOETYGZDJPXUQN-SNVBAGLBSA-N	275.352	2.955	70	20	CFID	
CC[C@@H](NCc1ccc(CN(CC)CC)cc1)C(=O)OC	159484439	QKGUGXANHWUBAR-MRXNPFEDSA-N	292.423	2.570	70	20	CFID	
Fc1ccc(OCCCSCCN2CCOCC2)cc1	159757366	VFOIXQWWIJJKLA-UHFFFAOYSA-N	299.411	2.660	70	20	CFID	
CCCCn1ncc(C(=O)NCCC(C)C)c1C	159378591	GJUROWNGDHMBKT-UHFFFAOYSA-N	251.374	2.768	70	20	CFID	
CCOC(C)(C)CNC(=O)c1cc2ccccc2[nH]1	159694491	FPUFPCHTTWRTLH-UHFFFAOYSA-N	260.337	2.713	70	20	CFID	
CCc1nc(CN[C@H](C)c2cc(C)ccc2OC)n[nH]1	160281061	VJBZZYSXISIAED-LLVKDONJSA-N	274.368	2.535	70	20	CFID	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2CO)o1	218054611	UMSYHTWJDONMIX-QHSBEEBCSA-N	291.391	2.613	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H](C)C2CC2)cc1F	159363350	VMMWMVZWDFXBES-SECBINFHSA-N	251.301	2.843	70	20	CFID	
CCCN(C(=O)c1ccc(S(=O)(=O)F)cc1C)C1CC1	1354599719	GPKPONMTXIHPHQ-UHFFFAOYSA-N	299.367	2.668	70	20	CFID	
CC[C@@H](COC)NCc1occc1Br	217824611	PAYULUCIVYHFAV-QMMMGPOBSA-N	262.147	2.557	70	20	CFID	
CCCCCCNC(=O)c1cc(OC)c(O)c(OC)c1	161286200	WIWDGYREVRPASI-UHFFFAOYSA-N	281.352	2.720	70	20	CFID	
CC(C)CCOc1ccc(NC(=O)C(C)(C)N)cc1	161381221	PCVPSZGBOLJBTH-UHFFFAOYSA-N	264.369	2.787	70	20	CFID	
C[C@@H](NC(=O)Nc1ccccc1Cn1cncn1)C1CCC1	161472591	MIYLOJMCAUAKGE-GFCCVEGCSA-N	299.378	2.637	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cccc(N2CCCC2=O)c1	160078539	AWEMCBZTVZDEII-UHFFFAOYSA-N	298.386	2.733	70	20	CFID	
CC(C)C(=O)N[C@H]1CCCN(CCC2CCCC2)C1	160126859	AMRRWVZKOQHBEH-HNNXBMFYSA-N	266.429	2.803	70	20	CFID	
CCC(CC)CNC(=O)N(C)Cc1ccc(OC)c(O)c1	160538491	NBNIRONYPVAESI-UHFFFAOYSA-N	294.395	2.978	70	20	CFID	
O=C(Nc1cccc(F)n1)c1csc([C@H]2CCCO2)n1	160707922	JXOJMWQSEHDSJL-SECBINFHSA-N	293.323	2.781	70	20	CFID	
COc1cc(C(=O)Nc2ccccc2F)cc(OC)c1O	160724023	GHWIRIONKGTRID-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
Cn1cnnc1CN1CCCCC[C@@H]1c1ccccc1	160812600	CUAYDZVMFBQNDX-OAHLLOKOSA-N	270.380	2.932	70	20	CFID	
C[C@H]1CC[C@H](CC(=O)N2CCC(NCC3CC3)CC2)C1	159826744	RTFZOLJOBDJJTO-ZFWWWQNUSA-N	278.440	2.803	70	20	CFID	
c1ccc2sc(N3CCOC[C@@H]3C3CC3)nc2c1	159638450	QASPKRBXJUDGNQ-GFCCVEGCSA-N	260.362	2.912	70	20	CFID	
CCn1nccc1CN[C@@H]1CCCN(Cc2ccccc2)C1	159976936	NDFJZSILXOHXQW-QGZVFWFLSA-N	298.434	2.657	70	20	CFID	
CCN(CCCO)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	160551980	HQOIVBMIEJSIRW-GHMZBOCLSA-N	281.318	2.586	70	20	CFID	
C[C@H]1CCC[C@@H](OCCCS(=O)(=O)Cl)C1	112395396	BTCWIMFYCONMET-VHSXEESVSA-N	254.779	2.540	70	20	CFID	
CCc1ncc(NC(=O)C[C@@H](C)c2c(C)noc2C)cn1	161012185	RUQBSBIPKXYYSK-SECBINFHSA-N	288.351	2.776	70	20	CFID	
CC(C)n1cc([C@@H](C)N[C@@H]2CCC[C@H](N(C)C)C2)cn1	161122791	KMJQNSCDHJOALR-BMFZPTHFSA-N	278.444	2.987	70	20	CFID	
CS[C@H](C)CC(=O)N(C)[C@@H](C)c1ccncc1	161486798	VJWZUGXGZHELKD-MNOVXSKESA-N	252.383	2.743	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)Cn1cccn1	160178973	PXDOWIRRLYXJGV-LBPRGKRZSA-N	274.320	2.505	70	20	CFID	
CC(C)C[C@H]1COCCN1Cc1cnc2ccccn12	160412638	ZLQRNLQITYYQQY-AWEZNQCLSA-N	273.380	2.581	70	20	CFID	
CCCC1(CNC(=O)NC[C@@H]2CCN(C3CC3)C2)CCC1	160710079	HUGJADKMJYBDPE-AWEZNQCLSA-N	293.455	2.740	70	20	CFID	
O=C(CCc1ccc(F)cc1F)N[C@H]1CCCSC1	160839278	BFOKJQYSERYWNU-LBPRGKRZSA-N	285.359	2.909	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CN(C)C(=O)c1cccs1	159603208	DZQDBULEVOSYPA-RYUDHWBXSA-N	294.420	2.515	70	20	CFID	
CO[C@H](C)CC(=O)N[C@@H]1CCCc2sccc21	159902645	CGERZMXYEFCRAE-MWLCHTKSSA-N	253.367	2.667	70	20	CFID	
C[C@@H](OCC1CC1)C(=O)NCCc1cc2ccccc2[nH]1	159543271	OVGZJPJILXQEDF-GFCCVEGCSA-N	286.375	2.642	70	20	CFID	
COc1ncccc1C(=O)NCCc1cc2ccccc2[nH]1	159549149	RZCXLLXDOIXTLW-UHFFFAOYSA-N	295.342	2.544	70	20	CFID	
CCN(CCCO)C(=O)c1cc2ccc(F)cc2s1	160460945	KYALTYLYZPALHE-UHFFFAOYSA-N	281.352	2.885	70	20	CFID	
CCc1cc(O)nc(CN2CCC[C@H]2C2CCCC2)n1	160969050	LNKFTLZKAQDAPH-AWEZNQCLSA-N	275.396	2.899	70	20	CFID	
Cn1c(NCCNC(=O)OC(C)(C)C)nc2ccccc21	161082978	NLQIVULNNRAXSF-UHFFFAOYSA-N	290.367	2.510	70	20	CFID	
COc1ccc(CN(C)CC[C@@H]2CCCN2C)cc1	161275530	QYYNBVMIZLRIBY-HNNXBMFYSA-N	262.397	2.611	70	20	CFID	
Cc1coc(C)c1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460095140	SVTAYWRMNXNHFI-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864240985	GIYHAWAGEXLPLY-PWSUYJOCSA-N	299.367	2.748	70	20	CFID	
O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)[C@@H]1CC1(Cl)Cl	161499938	LCVLUQVXQDWEPA-NDBYEHHHSA-N	296.197	2.882	70	20	CFID	
CCCN(CCC)C(=O)Cn1nc(C2CC2)nc1C1CC1	161508892	NLSXWLTWKBAJPO-UHFFFAOYSA-N	290.411	2.682	70	20	CFID	
CCCN(CC(=O)N(C)C)C(=O)C[C@@H]1CCCCC1(C)C	160190876	KZZMLIMCTBMMLY-AWEZNQCLSA-N	296.455	2.920	70	20	CFID	
COCc1ccccc1CNC(=O)N1CCC2(CCC2)C1	160198576	YKPWWLULJUOLRK-UHFFFAOYSA-N	288.391	2.919	70	20	CFID	
CCCN1CCC(N(C)Cc2cnc3ccccn23)CC1	160318950	IZBGZWWNEQUCJG-UHFFFAOYSA-N	286.423	2.641	70	20	CFID	
O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC1	160461930	FVMQNVHXCABFJX-LSDHHAIUSA-N	258.365	2.813	70	20	CFID	
CC[C@@H](NC(=O)C[C@@H]1CCCN1)c1cc(F)ccc1F	160659282	BMCVYRPRCHAINV-SMDDNHRTSA-N	282.334	2.674	70	20	CFID	
Cc1cc(C(=O)N(C)Cc2cccn2C)c(F)cc1F	160664655	GDBPEENOIZECRR-UHFFFAOYSA-N	278.302	2.884	70	20	CFID	
O=C(c1cncc(F)c1)N(CC(F)(F)F)c1ccccn1	160674811	QENNCDJAYYLYRR-UHFFFAOYSA-N	299.227	2.825	70	20	CFID	
Cn1cnnc1CN1CCC[C@@H]1c1ccccc1Cl	160817126	OULIVONPLAUHRW-CYBMUJFWSA-N	276.771	2.806	70	20	CFID	
CC(C)c1cc(=O)n(Cc2ccc(F)cc2F)cn1	160887819	VZQZVIHJHQIEGW-UHFFFAOYSA-N	264.275	2.693	70	20	CFID	
CN([C@@H]1CCSC1)S(=O)(=O)c1ccc(Cl)s1	159435765	QFEWRFKDBYGDBU-SSDOTTSWSA-N	297.854	2.528	70	20	CFID	
CCCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	159904175	CHERWLBMVPFNNH-ZBFHGGJFSA-N	289.423	2.701	70	20	CFID	
CC(C)N1CC[C@@H](N[C@H]2CCCc3cc(F)ccc32)C1=O	159543789	XUNMKYKPQAKHTN-JKSUJKDBSA-N	290.382	2.802	70	20	CFID	
CC[C@@H](C)[C@@H](O)CNc1nc(C(C)(C)C)ns1	159449360	FVHVYFHXMOFNRT-BDAKNGLRSA-N	257.403	2.655	70	20	CFID	
CC(C)CCCOC[C@H](C)CS(=O)(=O)Cl	112159656	MHDPLCAQQUDASJ-JTQLQIEISA-N	256.795	2.644	70	20	CFID	
CCCC1(CNC(=O)c2ccc3[nH]ncc3c2)CC1	160678693	CEDTZSXTVIHYMH-UHFFFAOYSA-N	257.337	2.873	70	20	CFID	
COCCN(Cc1nccn1C(C)C)CC(C)C	160774341	FMMYQCMGEPIRFB-UHFFFAOYSA-N	253.390	2.568	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@H](N(C)C)C1	161491496	IIAWEDPWXUIRFK-RYUDHWBXSA-N	295.814	2.646	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(C(C)C)CC1	161111333	MVDISTYJVZIEDS-ZIAGYGMSSA-N	292.448	2.713	70	20	CFID	
O=C(NCCSc1ccccc1)NO[C@@H]1CCCCO1	161419038	VJAYNACRAICPOH-CYBMUJFWSA-N	296.392	2.536	70	20	CFID	
C[C@@H](O)CN(C)C(=O)c1occc1-c1ccc(F)cc1	160095162	DWOYOALUGURFGT-SNVBAGLBSA-N	277.295	2.539	70	20	CFID	
CN(C(=O)c1cc2ccccn2c1)c1ccc2c(c1)OCO2	160261331	BVAHLFQLHVZTPY-UHFFFAOYSA-N	294.310	2.945	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCc2cccnc2-n2cccn2)C1	160279329	FWWHMACHIBOAMS-UONOGXRCSA-N	298.390	2.710	70	20	CFID	
CC[C@@H](NC[C@@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160391532	OVWMEUDKTIKCOK-SJORKVTESA-N	292.471	2.971	70	20	CFID	
CC[C@@H](NC(=O)CCc1cccnc1)c1c(C)noc1C	160392272	SHJIDKSNLKTUIK-CQSZACIVSA-N	287.363	2.887	70	20	CFID	
CSc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1	160473462	RRJZBHXFLHYOPO-UHFFFAOYSA-N	297.405	2.549	70	20	CFID	
Cc1ccc(CNc2cnccn2)c(OC[C@H]2CCCO2)c1	160492293	OYHBZWVKZIUJOY-OAHLLOKOSA-N	299.374	2.955	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1nc(-c2ccccc2)ns1	160535556	RZIJZQWNFABDQP-JTQLQIEISA-N	291.376	2.959	70	20	CFID	
Cc1ncccc1C(=O)N[C@@H](C)CC(=O)c1cccs1	160712710	DOTUXNRPBZNDDX-JTQLQIEISA-N	288.372	2.843	70	20	CFID	
Cc1ccc(C)c(-n2ncc(C(=O)NC3CC3)c2C)c1	160923968	SHDPJWVZDJXPNG-UHFFFAOYSA-N	269.348	2.690	70	20	CFID	
CCOc1ncccc1CNC(=O)[C@H]1C[C@]1(C)CC	160998780	TVTDQZAAHQPHLZ-DOMZBBRYSA-N	262.353	2.533	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnc2c(c1)c(C)nn2C	159637716	UOZFVEPDJVEJHT-RISCZKNCSA-N	286.379	2.585	70	20	CFID	
C[C@@H]1CCC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@@H]1C	159645846	QINQYOQUFFGASS-NQBHXWOUSA-N	286.379	2.523	70	20	CFID	
CC(C)NCCC(=O)NCC1(Sc2ccccc2)CC1	159703361	IYBWKRSCTKNTKO-UHFFFAOYSA-N	292.448	2.816	70	20	CFID	
O=C(NC[C@@H]1CCCS1)N1CCc2cccc(F)c2C1	159905107	BAVYXHZVGDYNRK-LBPRGKRZSA-N	294.395	2.789	70	20	CFID	
CCCOc1cccc(CN(C)[C@@H](CN)C2CC2)c1	159676504	QUXYVBCETBYRJB-INIZCTEOSA-N	262.397	2.645	70	20	CFID	
CCN(CCCO)C(=O)c1ccc(OCC(C)C)cc1	160456520	CZCQBUAATSVZDU-UHFFFAOYSA-N	279.380	2.566	70	20	CFID	
CCc1noc(C)c1C[S@@](=O)c1ccccc1F	161045020	UMYMEGOOVXWAGI-SFHVURJKSA-N	267.325	2.992	70	20	CFID	
O=C(c1ncccc1O)N1CCC[C@@H]1c1ccc(F)cc1	217960421	ULPSSKOMXCFIJU-CYBMUJFWSA-N	286.306	2.904	70	20	CFID	
CC(C)CN(C(=O)c1ccc(S(=O)(=O)F)cc1)C1CC1	864238682	PXVZAMOIFVFCOW-UHFFFAOYSA-N	299.367	2.605	70	20	CFID	
CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCC[C@H]1O	161127639	BNQXUQVALYUING-ZIAGYGMSSA-N	295.810	2.938	70	20	CFID	
CCc1ccc([C@H](C)C(=O)N2CCC[C@@H]2CNC)cc1	161230581	JQONZDOUVSYJIG-XJKSGUPXSA-N	274.408	2.563	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H]2CCOC(C)(C)C2)o1	161376089	QFHSIYMCCRGYMS-GUOLPTJISA-N	277.364	2.929	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1ccc(N2CCCC2)nc1	160107557	BCTMCEAYBOSJDV-UHFFFAOYSA-N	285.391	2.602	70	20	CFID	
CCCNC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1	160175206	OJLWOHYDHOVNIS-CMPLNLGQSA-N	268.382	2.630	70	20	CFID	
CSC[C@H](CCO)N[C@@H]1CCc2ccc(C)cc21	160326661	JUOHWARRDXAZJX-DZGCQCFKSA-N	265.422	2.686	70	20	CFID	
COCCC1(CNC(=O)N[C@H](C)CC(C)C)CCC1	160387222	XUVYNOTYYQFZQM-CYBMUJFWSA-N	270.417	2.927	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H](CC)C(C)C	160650738	ISYQFYCHSSGJGX-VXGBXAGGSA-N	257.374	2.517	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)C1(c2cccc(F)c2)CCC1	160791033	LKPICROPZCWOND-HNNXBMFYSA-N	293.382	2.771	70	20	CFID	
Cc1cc(C)c2c(c1)[C@H](NCC(=O)NC(C)C)CCCO2	160984731	ZIKNUKKFSGYXHI-OAHLLOKOSA-N	290.407	2.631	70	20	CFID	
C[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CCC[C@@H]1O	159559509	JTNRFVNFCAPYQZ-WHOFXGATSA-N	251.345	2.980	70	20	CFID	
CCO[C@@H](CC)C(=O)N(C)c1ccc(OC)c(F)c1	159570280	MCYIAWRAHKGISE-LBPRGKRZSA-N	269.316	2.612	70	20	CFID	
COc1ccc(C)nc1NC(=O)C[C@H]1CSCCS1	159973264	QYVWCVIAAIBWPG-JTQLQIEISA-N	298.433	2.576	70	20	CFID	
CC[C@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	160385623	XAQQSEILSGQCQG-XHSDSOJGSA-N	272.392	2.533	70	20	CFID	
CCCCOCCCNc1nccn2nc(C)cc12	160370163	OXNIVBWNSBVWJY-UHFFFAOYSA-N	262.357	2.656	70	20	CFID	
COc1cccc(C(=O)Cn2c(C)nc3c2CCCC3)c1	216672380	HZDHZDXGFKSFFA-UHFFFAOYSA-N	284.359	2.962	70	20	CFID	
CN(Cc1csnn1)Cc1ccccc1Br	160384675	HDYCQQOHICNCGK-UHFFFAOYSA-N	298.209	2.933	70	20	CFID	
COC[C@H](NC[C@@H](C)N(C)Cc1ccccc1)C1CC1	160898980	XQGMCULYKLEZHR-PBHICJAKSA-N	276.424	2.522	70	20	CFID	
C=C(C)CCC(=O)Nc1ccc(S(=O)(=O)F)cc1	1517934564	GXIDSNHZDXBHME-UHFFFAOYSA-N	271.313	2.640	70	20	CFID	
COC(=O)c1csc(NC(=O)N2[C@@H](C)CC[C@H]2C)c1	161033618	LZQUOWMIJDTWJG-DTORHVGOSA-N	282.365	2.939	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@H](C)Oc1ccccc1C	161245416	UDSCDPJVVGWCRY-AWEZNQCLSA-N	292.423	2.644	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)Cc1ccc(C)nc1	160045941	UQUWBZUYZBEJQU-MRXNPFEDSA-N	296.370	2.745	70	20	CFID	
COCCC1(CNC(=O)NC[C@H](C)SC)CCCC1	160371128	VYYZOCXKKPAEGV-LBPRGKRZSA-N	288.457	2.634	70	20	CFID	
COCCCCC(=O)Nc1cccc(OCCF)c1	160411088	QDOVOMDBKLOHAD-UHFFFAOYSA-N	269.316	2.790	70	20	CFID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)Sc1ccccc1Cl	160580768	GHKDUCALACJBOW-VHSXEESVSA-N	287.812	2.660	70	20	CFID	
CN(Cc1cccn1C)C(=O)[C@H]1CSc2ccccc21	160654360	KVMPMNICDLVPFW-AWEZNQCLSA-N	286.400	2.873	70	20	CFID	
CC(C)c1cc(=O)n(Cc2ccc(F)c(F)c2)cn1	160658333	JMHHIZJHJFASBO-UHFFFAOYSA-N	264.275	2.693	70	20	CFID	
CC[C@@H](NCCCNC(C)=O)c1ccc(F)cc1F	160718558	OOKNRRXKNHZTPV-CQSZACIVSA-N	270.323	2.532	70	20	CFID	
C[C@]1(NC(=O)Nc2cccc(OC(F)F)c2)CCOC1	160838997	HPEYRUSSRHAJKP-ZDUSSCGKSA-N	286.278	2.589	70	20	CFID	
CCC1(CNC(=O)NC[C@@H](C)c2c(C)noc2C)CC1	159452991	PBCCHWPPWBZVMY-SNVBAGLBSA-N	279.384	2.884	70	20	CFID	
COC[C@H](NC[C@H](C)N1CCc2sccc2C1)C(C)C	159872649	KMEQBAUXIDTFGK-ZFWWWQNUSA-N	296.480	2.755	70	20	CFID	
CSCCCCC(=O)N1CCN(C2CCCC2)CC1	159515234	FQXLSSUFHLSJRS-UHFFFAOYSA-N	284.469	2.607	70	20	CFID	
Cc1cnc(N[C@H]2CCCc3cc(N)ccc32)nc1	159497341	QVTIURPCEGAZSK-AWEZNQCLSA-N	254.337	2.857	70	20	CFID	
CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F	159427485	PHBIRICUBFMJOG-QWRGUYRKSA-N	284.350	2.776	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1	160424572	UFIHYLQXGJFLDH-UONOGXRCSA-N	266.429	2.837	70	20	CFID	
NCC1(C(=O)N2CCC3(CCCCC3)C2)CCCC1	161196137	PPSZDASQPZZXQR-UHFFFAOYSA-N	264.413	2.688	70	20	CFID	
COC1CCC(NC(=O)Cc2cc(C)ccc2C)CC1	217862218	STRVXOOZTPXQFN-UHFFFAOYSA-N	275.392	2.920	70	20	CFID	
CCCC1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865209305	OBJBDKRWTZKCCY-UHFFFAOYSA-N	299.367	2.655	70	20	CFID	
CCCCn1ncc(NC(=O)N(C)CC(F)F)c1C	159650527	WUQKIIOTCMCEFN-UHFFFAOYSA-N	274.315	2.720	70	20	CFID	
COc1ccccc1[C@H](C)N[C@H]1CCN2CCCC[C@@H]12	217661705	WMJRUGYBOMIRJU-BPUTZDHNSA-N	274.408	2.973	70	20	CFID	
CC(C)[C@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl	161153014	NBBBAEFBXKYTQF-PELKAZGASA-N	272.751	2.640	70	20	CFID	
O=S(=O)(Nc1cccc(OCCF)c1)c1ccccc1	161192013	ZXOICOHKXRACQB-UHFFFAOYSA-N	295.335	2.836	70	20	CFID	
CCn1cc(NC(=O)Nc2ccn(CCC(C)C)n2)cn1	161262990	ASBMISKGUCGGRZ-UHFFFAOYSA-N	290.371	2.790	70	20	CFID	
O=C(NC[C@H]1CC=CCC1)c1ccc(C(=O)NC2CC2)cc1	161278539	PJHRFOYPCJMVHS-ZDUSSCGKSA-N	298.386	2.665	70	20	CFID	
C[C@H]1CC[C@H](C)N1C(=O)c1cnn(Cc2ccccc2)c1	161392891	FEMDIVXCIRUGNN-KBPBESRZSA-N	283.375	2.944	70	20	CFID	
CCSCc1cccc(NC(=O)[C@H]2CCCNC2)c1	161481188	VNVCSXKHRYJHBI-ZDUSSCGKSA-N	278.421	2.878	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)CO[C@H]1CCC[C@@H](C)C1	161501016	OAEFVIWQFYVCPH-MQYQWHSLSA-N	253.386	2.981	70	20	CFID	
Cc1cccc([C@@H]2CCCN2CC(=O)N2CCCCC2)n1	160193516	UHINUCQWWBDIHN-INIZCTEOSA-N	287.407	2.539	70	20	CFID	
O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1CCCCO1	160329041	QPRZPHOHUIHFHK-CQSZACIVSA-N	283.331	2.651	70	20	CFID	
c1ccc2nc(N[C@H]3CCO[C@H](C4CC4)C3)cnc2c1	160414102	XBBBRKSDRVSFOJ-WFASDCNBSA-N	269.348	2.999	70	20	CFID	
C[C@H](NC(=O)NC1CCCCC1)[C@@H](O)Cc1ccccc1	160959230	LIJAYKYEEDNUPC-BBRMVZONSA-N	290.407	2.610	70	20	CFID	
C[C@@H](NC[C@H]1CCc2ccccc21)c1cnn(C)c1	160975852	NOLSTCFZUPXMBL-TZMCWYRMSA-N	255.365	2.801	70	20	CFID	
NC1(CNC(=O)CCc2ccccc2F)CCCCC1	159488927	MBYUULTXKQUYNA-UHFFFAOYSA-N	278.371	2.536	70	20	CFID	
COc1ccc(C(F)(F)C(=O)N[C@H](C)C2CC2)cc1	159704668	JTXADBMPQYMKHI-SECBINFHSA-N	269.291	2.702	70	20	CFID	
CC(C)OC1CCC(NC(=O)C2[C@@H]3CCC[C@@H]23)CC1	159568579	CGFJBDXJQNKFRK-NWINJMCUSA-N	265.397	2.885	70	20	CFID	
CCN(CC)c1ccc(CNC(=O)C[C@H](C)SC)cn1	159774953	IGEVDXIUXUSMQM-LBPRGKRZSA-N	295.452	2.686	70	20	CFID	
COc1cc(N[C@@H]2CCCc3cc(N)ccc32)ncn1	159513382	CKXPAKNMZKMDOA-CYBMUJFWSA-N	270.336	2.557	70	20	CFID	
C[C@H](O)CCNC(=O)/C=C\c1cc(Cl)cc(Cl)c1	217775341	NKUQYFKEGJQXCQ-XADBCAIWSA-N	288.174	2.894	70	20	CFID	
COc1ccc([C@H](C)N(C)Cc2nccn2C)cc1	160748881	GKHUWFJEFPOBPG-LBPRGKRZSA-N	259.353	2.622	70	20	CFID	
CC(C)COCCCNC(=O)c1ccnc(Cl)c1F	161102237	QKODWNAUAVMRDN-UHFFFAOYSA-N	288.750	2.667	70	20	CFID	
O=C(NC1CC=CC1)[C@@H](c1ccccc1)N1CCCCC1=O	161046993	WDZJTHUBXCXDCE-QGZVFWFLSA-N	298.386	2.575	70	20	CFID	
CC[C@H](C)[C@@H](C)NC(=O)Cc1c(C)noc1Cl	161062827	QAZZMLVQYBOZON-JGVFFNPUSA-N	258.749	2.730	70	20	CFID	
CCN(Cc1ccccn1)[C@H](C)C(=O)N(C)c1ccccc1	161120606	AXRZBTSMNJGZKD-OAHLLOKOSA-N	297.402	2.955	70	20	CFID	
CSC[C@@H](C)C(=O)OCc1nc(C)sc1C	161288913	KUOSCHHLRUHUAM-SSDOTTSWSA-N	259.396	2.802	70	20	CFID	
CSc1ccc(NC(=O)c2cc(C)ncn2)cc1	161312580	AHQFCILSABBXGQ-UHFFFAOYSA-N	259.334	2.759	70	20	CFID	
Cc1ccccc1OCCCC(=O)N[C@H]1CCC[C@@H](N)C1	161336402	MYBAMYHDLAGMRB-CABCVRRESA-N	290.407	2.540	70	20	CFID	
COCCN(CCCN1CCCCC1)Cc1ccc(C)o1	161411844	AJHCQAQOFIHXFW-UHFFFAOYSA-N	294.439	2.912	70	20	CFID	
Cc1cccc(C(=O)N(C)C[C@H]2CCCCO2)c1F	161486791	AICWTUKTWZHKSJ-GFCCVEGCSA-N	265.328	2.775	70	20	CFID	
CC[C@H](NCc1ccc(OC(C)C)nc1)c1cnn(C)c1	160037882	SGDFMMFKVHNKBI-HNNXBMFYSA-N	288.395	2.843	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)c1ccc(F)cc1	160104681	YJLZVCMYULYNHF-NSHDSACASA-N	295.354	2.561	70	20	CFID	
CCN(C)C(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O	160109650	LXZFEIACSPOQKF-OAHLLOKOSA-N	288.391	2.641	70	20	CFID	
CCN(C(=O)[C@@H]1CCCCO1)c1ccc(F)cc1	160146060	OGURZDIZLIHVLX-ZDUSSCGKSA-N	251.301	2.748	70	20	CFID	
CC(C)CNC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1	160187801	FEHXOQVZUXOSCV-DGCLKSJQSA-N	282.409	2.876	70	20	CFID	
CC[C@@H](N[C@@H](CCO)CSC)c1ccc(OC)cc1	160250197	DGMBZNAJZZEWIC-DZGCQCFKSA-N	283.437	2.850	70	20	CFID	
Cc1nc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc(C2CC2)n1	160328413	DJHFPJSZORRCHA-VXGBXAGGSA-N	257.337	2.647	70	20	CFID	
CCC(C)(C)NC(=O)NCCOCc1cccc(OC)c1	160607236	AZIKUDMDCHWALE-UHFFFAOYSA-N	294.395	2.700	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C[C@H]1CCc2ccccc21	160641874	QURLYAKBJHVIRZ-HUUCEWRRSA-N	275.392	2.630	70	20	CFID	
CN(Cc1cccn1C)C(=O)c1ccc2ncccc2c1	160709428	VRTWKPXGTCOTEU-UHFFFAOYSA-N	279.343	2.846	70	20	CFID	
COCC(C)(C)C(=O)NCC1(Cc2ccccc2)CC1	160789157	CISQVYADQYGURZ-UHFFFAOYSA-N	275.392	2.798	70	20	CFID	
CCCNC(=O)NOCc1ccc(C(F)(F)F)cc1	160989190	MVMCBODDNNEYRB-UHFFFAOYSA-N	276.258	2.846	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C)C1CCOCC1	159456993	CWKKGTWXWRQGKK-MNOVXSKESA-N	294.395	2.716	70	20	CFID	
CC(C)(O)[C@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3	159937510	MLQVJBOMXOBVOP-BAPHQMLMSA-N	291.435	2.821	70	20	CFID	
Cc1csc(N2CCC(N[C@H]3CCCSC3)CC2)n1	159547155	CFQJLDMLBSJXFT-ZDUSSCGKSA-N	297.493	2.906	70	20	CFID	
Cc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1C	159740237	UZLFBOZUBVNQOQ-XBXGTLAGSA-N	262.353	2.728	70	20	CFID	
CCCn1nccc1CNc1cccnc1OCC	160037273	VLMWWLMFJZBNMY-UHFFFAOYSA-N	260.341	2.699	70	20	CFID	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(F)F	217611409	WANSACIGARPXLO-UHFFFAOYSA-N	267.197	2.929	70	20	CFID	
CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OC(C)C	218626741	PSZIFWMXQVWQGU-CQSZACIVSA-N	277.364	2.783	70	20	CFID	
CC[C@@H](O)CNC(=O)c1ccc(OCc2ccccc2)cc1	217047960	ZZOFDJRYUAQPOU-MRXNPFEDSA-N	299.370	2.766	70	20	CFID	
Cc1nnc(CSc2nc3cc(F)c(F)cc3[nH]2)n1C	161021130	WIOBTSYRIKNRHP-UHFFFAOYSA-N	295.318	2.570	70	20	CFID	
CN(C)[C@H]1CCC[C@@H](N[C@H]2CC(C)(C)OC2(C)C)C1	161117934	QCJHHRNFJLNVEX-RDBSUJKOSA-N	268.445	2.795	70	20	CFID	
CNC[C@H]1CCCN1C(=O)/C=C/c1cc2ccccc2o1	161296765	NSGLHTJPGCKULN-MYSGNRETSA-N	284.359	2.656	70	20	CFID	
Fc1ccc2oc(CSCCN3CCOCC3)nc2c1	160001962	AQXRRFQFMJPNEA-UHFFFAOYSA-N	296.367	2.532	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1	160395166	PVMJVCMPXNBVLD-CYBMUJFWSA-N	296.361	2.815	70	20	CFID	
CCc1ncnc(N[C@H]2CCO[C@H](C3CC3)C2)c1F	160424124	IYIMAFSEFFVCAS-JQWIXIFHSA-N	265.332	2.548	70	20	CFID	
CCOC(=O)[C@@H](CC)SCc1ncc(Cl)n1C	160442822	QRYYWAIWZPIAOO-MRVPVSSYSA-N	276.789	2.648	70	20	CFID	
C[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)C1CCC1	160936178	GQFXZHVNPFSHQD-LLVKDONJSA-N	285.351	2.577	70	20	CFID	
CCCCn1ncc(C(=O)NC[C@@H](CCC)CCO)c1C	159832403	WBPNIJSVVRDHRI-AWEZNQCLSA-N	295.427	2.520	70	20	CFID	
COc1ccc(NC(=O)N[C@]2(C)CCOC2)cc1Cl	159453827	JWBHDACZEKFSSQ-CYBMUJFWSA-N	284.743	2.649	70	20	CFID	
Cc1nc(O)ccc1C(=O)Nc1ccccc1-n1ccnc1	159870571	SLVNRNYJNIHQIK-UHFFFAOYSA-N	294.314	2.534	70	20	CFID	
C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1cccc(O)c1	160164385	FTCXMKOUMTUEGK-SNVBAGLBSA-N	295.335	2.571	70	20	CFID	
CCCCOCCCN[C@@H]1C[C@@H](N)c2ccccc21	160228230	GIGORQREQHMUKR-HZPDHXFCSA-N	262.397	2.928	70	20	CFID	
O=S(=O)(Cl)CCCOc1ccc(F)cc1Cl	108303956	NGNXLCUSDJFCPA-UHFFFAOYSA-N	287.139	2.817	70	20	CFID	
O=S(=O)(Cl)c1cc2c(cc1F)NCCCS2	100545862	WHKCMVSYGPSJSG-UHFFFAOYSA-N	281.761	2.661	70	20	CFID	
CCCC[C@H](COC)N[C@H]1CCC[C@H](N(C)C)C1	161088257	PPTBLWQOPOGGHH-ZNMIVQPWSA-N	256.434	2.654	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CO	161148635	BKUNSIYVICGFQP-BBRMVZONSA-N	290.407	2.947	70	20	CFID	
Cc1ccsc1CCCC(=O)N1CCOC[C@H]1C	161260391	VDFKLTHLOXMKFJ-GFCCVEGCSA-N	267.394	2.627	70	20	CFID	
CCOc1cc(C)ccc1NC(=O)N[C@@]1(C)CCOC1	161373043	HCVOBLSNXMBWLU-HNNXBMFYSA-N	278.352	2.694	70	20	CFID	
Cc1cccc(C(=O)NCCc2cccnc2)c1F	161435469	FVYKNQOZSUPUDO-UHFFFAOYSA-N	258.296	2.502	70	20	CFID	
CC(C)c1cc(NC(=O)CSCC(F)(F)F)[nH]n1	161472988	LMCGNFGMTRDKRM-UHFFFAOYSA-N	281.303	2.767	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccsc1C(=O)OC	160117653	INWBUVCMKSXAEY-OQPBUACISA-N	267.350	2.909	70	20	CFID	
O=S(=O)(NCC1(C2CC2)CC1)c1cc2ccccc2o1	160160789	JRHGGQGJMGSEMC-UHFFFAOYSA-N	291.372	2.901	70	20	CFID	
CC(C)(C)NC(=O)N1CC=C(C(F)(F)F)CC1	160241095	AIGWBUGMJFJTES-UHFFFAOYSA-N	250.264	2.689	70	20	CFID	
C1C[C@@H](Nc2nnc(C3CC3)s2)C[C@@H](C2CC2)O1	160352596	HVUCOCLQIGISJA-MNOVXSKESA-N	265.382	2.785	70	20	CFID	
CC[C@@H](NC[C@H](C1CCCCC1)N(C)C)c1cnn(C)c1	160391789	OVWMEUDKTIKCOK-IAGOWNOFSA-N	292.471	2.971	70	20	CFID	
CN(C(=O)c1cc(Cl)cn1C)c1ccc2c(c1)OCO2	160573860	GBYWXZZSGAWDBK-UHFFFAOYSA-N	292.722	2.684	70	20	CFID	
CC[C@@H](C)CN(CC)[C@H](C(N)=O)c1ccc(F)cc1	160583545	DLBRFPNKDLQGCS-RISCZKNCSA-N	266.360	2.720	70	20	CFID	
CC[C@@]1(C)CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1	160776975	KMJCUJAUJFNLGP-AEFFLSMTSA-N	286.419	2.740	70	20	CFID	
CCC[C@@H](CCO)CNC(=O)C[C@@H](C)c1c(C)noc1C	159638938	HFHQTTCNIYWOFM-RISCZKNCSA-N	296.411	2.700	70	20	CFID	
COc1ccc(N(C)C(=O)CC[C@H]2CCCO2)cc1F	159641094	AJFZBUKIZUBVDK-GFCCVEGCSA-N	281.327	2.756	70	20	CFID	
CCOC(C)(C)CNc1nccc(C(F)(F)F)n1	159527358	ZDVDDOJDCZZIHT-UHFFFAOYSA-N	263.263	2.722	70	20	CFID	
COC[C@@H](NC(=O)Nc1cc(C(C)(C)C)on1)C1CC1	159953552	PZZAYIVJEFCNSB-SNVBAGLBSA-N	281.356	2.519	70	20	CFID	
CCc1ccc([C@H](CO)NC(=O)NCC2(CC)CC2)cc1	159575500	JHWMKWLAQIAHEF-HNNXBMFYSA-N	290.407	2.772	70	20	CFID	
Cc1cc(CN(C)[C@@H](CN)C2CC2)c2ccccc2n1	159666740	HNCMJSCHFOVCGJ-KRWDZBQOSA-N	269.392	2.712	70	20	CFID	
O=C(CSc1ccc(F)cc1)NCC1(CO)CCCC1	160327688	IFCUWBCOVDDALH-UHFFFAOYSA-N	297.395	2.587	70	20	CFID	
CCC[C@@H](C(=O)N1CCC(C(=O)OCC)CC1)C(C)C	161352036	HAFYGQBBDSNWHN-CQSZACIVSA-N	283.412	2.860	70	20	CFID	
C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	864239489	KNGGDKIKNVRNBN-UMSPYCQHSA-N	299.367	2.653	70	20	CFID	
O=C(c1ccccc1)c1ccccc1S(=O)(=O)F	238852452	GDUKLRWNYWOTAT-UHFFFAOYSA-N	264.277	2.576	70	20	CFID	
COc1cccc(F)c1[C@H](C)NC(=O)C1(CN)CCCC1	161050390	ULYSOUWLJPMNNS-NSHDSACASA-N	294.370	2.531	70	20	CFID	
COCC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCO2	161151374	BQJPSEBEHMQAMZ-UHFFFAOYSA-N	299.754	2.722	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCCOC2CCCC2)C1	161172914	PZHMPDSKWNXNHE-STQMWFEESA-N	253.386	2.888	70	20	CFID	
CSc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)ccc1F	161235530	NRHZDQPHINLISJ-GFCCVEGCSA-N	296.411	2.714	70	20	CFID	
CO[C@]1(C)C[C@@H](NC(=O)Nc2ccc(C)nc2)C1(C)C	161428598	VMQUMWFBGXFMGT-IUODEOHRSA-N	277.368	2.715	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(-c2csnn2)cc1	160257045	ZVUPGQQZZCZYDT-JTQLQIEISA-N	291.376	2.959	70	20	CFID	
CNC(=O)c1ccc(OC)c(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1	160274817	FLYXPXLCVGHQOR-OBJOEFQTSA-N	286.375	2.679	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)CC)cc1	160522262	VDQQFFJTZZLBML-DZGCQCFKSA-N	295.404	2.855	70	20	CFID	
CCCOC(=O)[C@@H](C)NC(C)(C)c1ccccc1OC	160552368	VSVAZBUQMIFJOQ-GFCCVEGCSA-N	279.380	2.862	70	20	CFID	
COCc1noc(CSc2ccccc2OC)n1	160855358	AJIASQDPLMEVAT-UHFFFAOYSA-N	266.322	2.517	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cscn1	160973528	NEMBXILJXLHZEA-NSHDSACASA-N	280.393	2.755	70	20	CFID	
CCCCS[C@@H](C)C(=O)N(C)Cc1cccn1C	160982804	NRANKRKEUWAUPG-LBPRGKRZSA-N	268.426	2.905	70	20	CFID	
C[C@H](NC(=O)C[C@@H]1CCCN1)c1ccc(F)cc1Cl	159630447	YNRQCVQSBDAMBF-ONGXEEELSA-N	284.762	2.798	70	20	CFID	
CC(=O)c1cnc(NC(=O)[C@@H]2CCCCCC[C@H]2N)s1	159507815	GUCMLASRIRMCHI-GHMZBOCLSA-N	295.408	2.582	70	20	CFID	
CC1CCN(CCCNC(=O)N2CC[C@H](C)[C@H](C)C2)CC1	159943255	KAWJWKHPHZKLOS-JKSUJKDBSA-N	295.471	2.796	70	20	CFID	
CC[C@H](CCO)NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	160068859	LEJQQODNZXDLSC-SCRDCRAPSA-N	279.380	2.613	70	20	CFID	
COc1cc(CN[C@@H]2CCOC(C)(C)C2)cc(OC)c1	160566968	YTQAHUURPOICLB-CYBMUJFWSA-N	279.380	2.751	70	20	CFID	
COc1ccc(Cl)cc1[C@H](C)NCC(C)(C)O	160643649	JVHQBCRUAMRADV-VIFPVBQESA-N	257.761	2.770	70	20	CFID	
CCOC(=O)CCNC(=O)Nc1c(F)cccc1Cl	217313344	NIAJGTMNSLTLMM-UHFFFAOYSA-N	288.706	2.554	70	20	CFID	
COC(=O)C1(NCCOc2cccc(C)c2)CCCCC1	217097401	XNOOMKPUHBTAQO-UHFFFAOYSA-N	291.391	2.839	70	20	CFID	
CCOC[C@@H]1CCN(C(=O)c2cccc(Cl)c2F)C1	159448890	IYKSTEBKUAMBOL-SNVBAGLBSA-N	285.746	2.978	70	20	CFID	
C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(S(=O)(=O)F)cc1	864243981	HITZPHNSQFFNBU-SNVBAGLBSA-N	299.367	2.748	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@H](C)C1CC1	1336617426	STQNKGCVEOMRKF-SNVBAGLBSA-N	299.367	2.524	70	20	CFID	
CC[C@@H](C)[C@@H](C)NC(=O)Cc1c(C)noc1Cl	161062715	QAZZMLVQYBOZON-HTQZYQBOSA-N	258.749	2.730	70	20	CFID	
CCc1nnc([C@H](C)N(CC)Cc2ccccn2)o1	161041207	QQXOGKHKMCTHDA-NSHDSACASA-N	260.341	2.610	70	20	CFID	
CNC(=O)C(C)(C)CNc1cc(C)nc2c(F)cccc12	161107290	YSFIFHUQSGYROC-UHFFFAOYSA-N	289.354	2.866	70	20	CFID	
COCc1ccc([C@@H]2CCCN2C(=O)C2CCOCC2)o1	161217074	RVOIYMJVQCMDBQ-AWEZNQCLSA-N	293.363	2.516	70	20	CFID	
Cc1cccc(C2(C(=O)N3CCC(C)(O)CC3)CCC2)c1	161291928	VNRWSBHBVXYNAQ-UHFFFAOYSA-N	287.403	2.790	70	20	CFID	
O=C(NC[C@@H]1CCCS1)NCC1(C2CC2)CCC1	160174667	POKMPBHXBJKMJY-LBPRGKRZSA-N	268.426	2.762	70	20	CFID	
CCCN(CC(=O)NC)C(=O)CC1CCC(C)(C)CC1	160297736	YCJIMEQYFJGDHH-UHFFFAOYSA-N	282.428	2.578	70	20	CFID	
COc1ccc(NC(=O)NC[C@@H](C)SC)cc1F	160557427	RECWMQSPWWJTER-MRVPVSSYSA-N	272.345	2.707	70	20	CFID	
C[C@H]1CC[C@H](C)N1[C@@H](C)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160613276	SIJKZYDZHVKSAP-PNLRBVOGSA-N	298.430	2.702	70	20	CFID	
CC[C@@H](NCC(=O)NC(C)C)c1ccc(F)cc1F	160668875	WFAVKBFVMJHRJP-CYBMUJFWSA-N	270.323	2.530	70	20	CFID	
COCc1nc(C(=O)OCc2nc(C)sc2C)cs1	160751183	FBFSRGIHRGWDOG-UHFFFAOYSA-N	298.389	2.720	70	20	CFID	
CCc1nc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)co1	159821753	KIDCVOAABXPJHH-GMTAPVOTSA-N	250.342	2.792	70	20	CFID	
NC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCCCC1	159466982	IQTVMLBTJJKHDK-LSDHHAIUSA-N	290.382	2.707	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Cl)nc1	159666387	JRPWGJMOKNHPTE-LDYMZIIASA-N	266.728	2.679	70	20	CFID	
O=C1CSc2ccc(NC(=O)C3=CCCC3)cc2N1	159526895	XSOFYRHCDPLZLW-UHFFFAOYSA-N	274.345	2.780	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)Nc1ccnc(C)c1Cl	159530741	PZUXZGVNXFLPTK-MRVPVSSYSA-N	299.758	2.507	70	20	CFID	
CC[C@H](NC(=O)[C@@H](C)OCC1CC1)c1c(C)noc1C	159969438	CQDYASVOQAJLCM-YPMHNXCESA-N	280.368	2.674	70	20	CFID	
CC1(C)CC(Nc2ccc3nnnn3n2)CC(C)(C)C1	159387288	UEJHZLFAHFRPQG-UHFFFAOYSA-N	274.372	2.536	70	20	CFID	
C[C@H](NCCCN1CCCC[C@@H]1C)C1CCOCC1	160284964	XXXHHDJGIKUNBT-GJZGRUSLSA-N	268.445	2.656	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1	160424354	UFIHYLQXGJFLDH-ZIAGYGMSSA-N	266.429	2.837	70	20	CFID	
COc1cccc(CN[C@@H]2CCOC(C)(C)C2)c1OC	160470176	WKUDQKNEACIJTL-CYBMUJFWSA-N	279.380	2.751	70	20	CFID	
CC(=O)Nc1ccccc1CNC[C@@H](O)c1ccsc1	160474821	OMLHNSZZJPBZFV-OAHLLOKOSA-N	290.388	2.530	70	20	CFID	
C[C@H]1CC[C@@H](C)N1C(=O)COc1ccc(F)cc1	161394796	YFTRIZZRBKGQOW-PHIMTYICSA-N	251.301	2.604	70	20	CFID	
CCO[C@@H]1C[C@H](NC[C@@](C)(O)c2ccccc2)C1(C)C	217789247	YPIQCLPVJXFRBT-ZMSDIMECSA-N	277.408	2.687	70	20	CFID	
COc1ccc(C(=O)N[C@H](C)c2cccnc2)c(F)c1	218441618	GIYZXKZAUNNSNV-SNVBAGLBSA-N	274.295	2.720	70	20	CFID	
CC(C)C[C@@H]1CCCN(C(=O)C2(CN)CCCC2)C1	161472515	RIKMEKDNALUSJV-AWEZNQCLSA-N	266.429	2.790	70	20	CFID	
COc1ccc2c(c1)C=C(C(=O)N1[C@@H](C)CC[C@H]1C)CO2	161476634	HIDTXSUHUUCKSD-TXEJJXNPSA-N	287.359	2.870	70	20	CFID	
CN(C(=O)CCSCc1ccon1)c1ccccc1	160135645	OJVHRNFFYKZYGH-UHFFFAOYSA-N	276.361	2.961	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1F	160426200	UUZOZISHCRFYGD-CYBMUJFWSA-N	278.371	2.676	70	20	CFID	
CN[C@@H]1CCN(C(=O)CCCCc2ccc(C)cc2)C1	160528152	VWAJFRWOXUYYLY-MRXNPFEDSA-N	274.408	2.528	70	20	CFID	
CN[C@H]1CCN(C(=O)c2ccccc2SC(C)C)C1	160695177	WNUSCFBMDBJITO-LBPRGKRZSA-N	278.421	2.621	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1csc2ccccc12	160720671	SFVRHOZKADOLEF-SNVBAGLBSA-N	291.372	2.973	70	20	CFID	
CCNC(=O)c1ccc(C)c(NC(=O)C[C@@H](C)SC)c1	159674893	VHNOZKWFGIWZNQ-LLVKDONJSA-N	294.420	2.825	70	20	CFID	
C[C@@H](CCOC(C)(C)C)CCS(=O)(=O)Cl	114640310	RTNIHBJBVLBZSV-VIFPVBQESA-N	256.795	2.786	70	20	CFID	
CC(C)C[C@H]1COCCN1CCCN1CCCCC1	161115924	GMMKSUOSAJCPNU-INIZCTEOSA-N	268.445	2.609	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CC12CCCC2	460092485	MQQXKRDTKWWHEQ-GFCCVEGCSA-N	297.351	2.864	70	20	CFID	
COCC(C)(C)C(=O)NCCSc1ccccc1	159730828	UWNGBBCEDDTRKM-UHFFFAOYSA-N	267.394	2.568	70	20	CFID	
C[C@@]1(O)CCCN(C(=O)Nc2cc(F)ccc2Cl)C1	161137812	FLDRTIGCPLAKFP-CYBMUJFWSA-N	286.734	2.858	70	20	CFID	
CN(C)c1nc(N)nc(CSCCCC2CCCC2)n1	161161063	WYDQAHCYQXVFNR-UHFFFAOYSA-N	295.456	2.723	70	20	CFID	
Cc1cc(C(=O)Nc2ccc3[nH]c(C)cc3c2)ncn1	161508835	PFHYUUOTTIQDTC-UHFFFAOYSA-N	266.304	2.827	70	20	CFID	
CC(C)CSCCCN[C@@H](C(N)=O)c1ccccc1	160021974	AOBXXKIOPVITEY-CQSZACIVSA-N	280.437	2.582	70	20	CFID	
Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)[nH]n1	160083200	VVQNOLZQIDVTKI-VHSXEESVSA-N	261.350	2.830	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl	160247297	KMOGUDNTUQGRLK-WZRBSPASSA-N	295.766	2.879	70	20	CFID	
COc1cc(C)ccc1CNC(=O)NC[C@@H](C)SC	160262497	DBLBCUUSGFFXHU-LLVKDONJSA-N	282.409	2.554	70	20	CFID	
Cc1cc(NC(=O)[C@H]2CCCCO2)n(-c2ccccc2C)n1	160417133	OBYXDKJMFYJFBL-OAHLLOKOSA-N	299.374	2.997	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)CCc2cc(Cl)cs2)C1	160804355	MEBSYIGZVFIWCA-QWRGUYRKSA-N	286.828	2.720	70	20	CFID	
CC(C)CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1	160936295	BBIUIASSANNQSI-ZNMIVQPWSA-N	292.423	2.774	70	20	CFID	
CCc1cc(NC(=O)Cc2nc(C)sc2C)nc(C)n1	160981744	GYMXFFLWZKKMJU-UHFFFAOYSA-N	290.392	2.602	70	20	CFID	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)C[C@@H](C)O	159496816	YAMKTZQVNBNKQD-BFHYXJOUSA-N	292.423	2.840	70	20	CFID	
CC[C@@H](NC(=O)c1ccc(CN)o1)c1ccc(F)cc1F	159728610	YGURKBPRWXAGNI-CYBMUJFWSA-N	294.301	2.898	70	20	CFID	
COc1ccc(S(=O)(=O)CC(=O)C2CCCCC2)cc1	159484601	NCGRCDITCOAUBF-UHFFFAOYSA-N	296.388	2.618	70	20	CFID	
CCCc1cc(C(=O)N2CCC[C@@H]2CNC)sc1C	161249787	HAVFTKNYVARESB-CYBMUJFWSA-N	280.437	2.833	70	20	CFID	
Cc1cccc(C(=O)NC[C@@H](C)N2CCCCC2)c1F	161484132	DQVPSPWVJHAZNY-CYBMUJFWSA-N	278.371	2.738	70	20	CFID	
CC[C@@H](COC)NC[C@H](C)N(C)Cc1ccccc1	160888641	VZXPQFBCBRZYTF-HOCLYGCPSA-N	264.413	2.522	70	20	CFID	
CCC[C@@H]1CCc2ccccc2N1CCS(=O)(=O)F	883954596	SPSMJYLELUEMJA-CYBMUJFWSA-N	285.384	2.907	70	20	CFID	
Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1515237449	NZJGSHROLNHPEZ-UHFFFAOYSA-N	296.323	2.542	70	20	CFID	
Cc1ccc(OCc2nnc3n2CCCC3)c(C)c1	217323337	MFNCBGINFXXCSK-UHFFFAOYSA-N	257.337	2.810	70	20	CFID	
CCC(CC)c1cc(CNC(=O)[C@@H]2CCC[C@H](N)C2)on1	161109571	YGTRAYGMXZEGPU-OLZOCXBDSA-N	293.411	2.712	70	20	CFID	
Fc1cc(F)c(-c2nc([C@H]3CCOC3)no2)cc1F	161383828	UVTISJMEEWOKHO-LURJTMIESA-N	270.210	2.658	70	20	CFID	
CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCCCO1	160135540	RBIHFRZSCFXSLQ-CQSZACIVSA-N	265.328	2.743	70	20	CFID	
Cn1ccc(NC(=O)c2cncc(-c3ccccc3)c2)n1	160178784	KEAQICRFEQPHTB-UHFFFAOYSA-N	278.315	2.734	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)NCCCOCC(F)(F)F)C1	160259701	RRSZDNVZBLUCEL-WDEREUQCSA-N	281.318	2.898	70	20	CFID	
Cc1cc(C)c(C(=O)N(C)c2ccc3c(c2)OCO3)o1	160399291	GWPZZYXGNSGKNZ-UHFFFAOYSA-N	273.288	2.902	70	20	CFID	
COC[C@@H](NC[C@H](C1CCCCC1)N(C)C)C(C)C	160413276	DZPWRRXTOWTJCS-HZPDHXFCSA-N	270.461	2.758	70	20	CFID	
C[C@@H](CO)CNC(=O)c1ccc(C2SCCS2)cc1	160440328	UNKIPGHGBXSLHP-SNVBAGLBSA-N	297.445	2.523	70	20	CFID	
CCCCNC(=O)NC[C@H](C)COc1ccccc1OC	160571462	NJRGHGOKYQFXNY-ZDUSSCGKSA-N	294.395	2.809	70	20	CFID	
CC[C@@H](NCc1ccc(CN2CCOCC2)cc1)C1CC1	160630185	HKXVPVOFAQBWDY-GOSISDBHSA-N	288.435	2.797	70	20	CFID	
C[C@H](CC(=O)NOCc1cccnc1)c1ccccc1	160756902	YYFNJIZPUDOIQQ-CYBMUJFWSA-N	270.332	2.823	70	20	CFID	
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)no1	160773154	FUIVRHWINNURNC-LBPRGKRZSA-N	278.352	2.595	70	20	CFID	
O=C(CCc1ccccn1)N1CCc2c(F)cccc2C1	160903433	GQFWXGQPRRKXAC-UHFFFAOYSA-N	284.334	2.738	70	20	CFID	
CCC(C)(CC)C(=O)N1CCC(CC(=O)N(C)C)CC1	159462827	AHUPVUVCSJKCIL-UHFFFAOYSA-N	282.428	2.530	70	20	CFID	
COc1nc(C)nc(N(C)Cc2csc(C)n2)c1C	159361622	SHBNZHRMLSHCTB-UHFFFAOYSA-N	278.381	2.503	70	20	CFID	
CCN[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CC	160124554	UMXDXRKUFFAIFP-UKRRQHHQSA-N	260.381	2.537	70	20	CFID	
COc1ccc([C@@H](C)N(C)CCCCS(C)(=O)=O)cc1	161335170	GUTJGSOEYBCQMT-CYBMUJFWSA-N	299.436	2.513	70	20	CFID	
CC(C)(CCO)NC(=O)c1cccc(C(F)(F)F)c1	161495910	OQMCZHQCIGBNHL-UHFFFAOYSA-N	275.270	2.596	70	20	CFID	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)Nc1cccc(S(=O)(=O)F)c1	460091424	JZCMMMWOMBMTLB-GBIKHYSHSA-N	297.351	2.720	70	20	CFID	
COc1ccc(CCN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1	217912124	XTZAVAASVPORRW-JJRVBVJISA-N	276.424	2.556	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CO	161148523	BKUNSIYVICGFQP-CJNGLKHVSA-N	290.407	2.947	70	20	CFID	
COC(=O)[C@H](NCCCSCC(C)C)c1cccnc1	160032465	SWWMPBQGVKUXBJ-CQSZACIVSA-N	296.436	2.665	70	20	CFID	
CC(C)CN(C(=O)NCCCC(=O)OC(C)C)C1CC1	160134844	UKJGERIHNIPXGS-UHFFFAOYSA-N	284.400	2.548	70	20	CFID	
CCc1ncnc(N[C@@H]2CCO[C@H](C3CC3)C2)c1F	160423985	IYIMAFSEFFVCAS-PWSUYJOCSA-N	265.332	2.548	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1	160573841	CSXPDYAHUJJCLI-OAHLLOKOSA-N	278.371	2.676	70	20	CFID	
Cc1cccc(OCCCC(=O)N[C@@H](CCO)C(C)C)c1	160663568	TZHYVBCVPJHQGE-INIZCTEOSA-N	293.407	2.677	70	20	CFID	
Cn1cnnc1CN1CCC(CCc2ccccc2)CC1	160733716	REIYZTZFXLJFGR-UHFFFAOYSA-N	284.407	2.660	70	20	CFID	
O=C(CCCc1cccs1)NOCc1cccnc1	160801525	NLPYPGOFNADWNQ-UHFFFAOYSA-N	276.361	2.714	70	20	CFID	
CC[C@H](C(=O)N(C)CCCOC)c1ccc(F)cc1	159412659	YJVGMCMGDWOVFO-AWEZNQCLSA-N	267.344	2.814	70	20	CFID	
Cc1cccc([C@@H](C)C(=O)NCC2(N)CCCCC2)c1	159477352	YHNOMKCIQINRQG-CQSZACIVSA-N	274.408	2.876	70	20	CFID	
O=C(NC1=NCCS1)c1cc(C(F)(F)F)ccc1F	159529499	XCAHAUVOCYHDBP-UHFFFAOYSA-N	292.257	2.677	70	20	CFID	
CC(C)C[C@]1(C)NC(=O)N(Cc2ccc(Cl)cn2)C1=O	159523675	UTOKKDDJGYXEIC-AWEZNQCLSA-N	295.770	2.592	70	20	CFID	
O=C(NCCCCCOC1CCCCC1)[C@@H]1CCCCN1	159533242	CCLQKNRHVCEVNS-INIZCTEOSA-N	296.455	2.764	70	20	CFID	
C[C@@H](C(=O)NCC1(N)CCCCC1)c1cccs1	159547689	JQEFFQJLJOJZQV-LLVKDONJSA-N	266.410	2.629	70	20	CFID	
Cc1cc(NC(=O)N2CCC[C@](C)(O)C2)ccc1F	161252915	JQFYEQRUCBIJGV-AWEZNQCLSA-N	266.316	2.513	70	20	CFID	
C[C@@H](OCCCNC(=O)[C@@H]1CCCCO1)c1ccccc1	161335822	YLMVVYQDLIOTBI-ZBFHGGJFSA-N	291.391	2.840	70	20	CFID	
Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)n1C	160315277	ZPBHHIYJPRFOEU-CQSZACIVSA-N	290.407	2.945	70	20	CFID	
CCc1noc(C)c1CS(=O)(=O)c1ccc(C)cc1	160338792	TWMORVXNYYYMOO-UHFFFAOYSA-N	279.361	2.828	70	20	CFID	
CCC(N)(CC)CNC(=O)CCc1ccc(Cl)s1	160456582	FAIZHFNWHMGSFF-UHFFFAOYSA-N	288.844	2.968	70	20	CFID	
CCc1ccccc1C(=O)N(C)Cc1cccnc1	160544162	GKCBRFTZZOWMLB-UHFFFAOYSA-N	254.333	2.916	70	20	CFID	
CC[C@H](NC(=O)Nc1ccccc1COC)[C@H]1CCCO1	160826684	VRDZXLNNCQFJAQ-DZGCQCFKSA-N	292.379	2.912	70	20	CFID	
C[C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)c2ccsc2)[C@@H]1C	160877654	PDXZISTURGEBJR-OXHZDVMGSA-N	296.436	2.905	70	20	CFID	
COCc1ccccc1NC(=O)N1CCC[C@H]1C[C@@H](C)O	159882226	LDEDJMNEPMCFGI-OCCSQVGLSA-N	292.379	2.600	70	20	CFID	
COCC(C)(C)C(=O)NCCSc1ccc(C)cc1	159739647	HCPCVYKOPWFHOZ-UHFFFAOYSA-N	281.421	2.876	70	20	CFID	
C[C@]1(CNC(=O)NCc2cccc(F)c2)CCCS1	159946608	QQVUFAOOHOPQAD-CQSZACIVSA-N	282.384	2.911	70	20	CFID	
CC(C)CCn1ccc(N[C@@H](C)C(=O)NCC(C)C)n1	159954071	GOWUYSZELJQYOR-ZDUSSCGKSA-N	280.416	2.502	70	20	CFID	
Fc1ccc(CN(CCn2ccnc2)C2CC2)c(F)c1	159760447	RLIASHIMOFSQNQ-UHFFFAOYSA-N	277.318	2.826	70	20	CFID	
CC[C@@H](C)[C@H](C)NC(=O)Cc1cccc(C(=O)OC)c1	159782166	WMXCYDDGHDBMFV-NEPJUHHUSA-N	277.364	2.567	70	20	CFID	
CN(CCCOc1ccc(F)cc1)C[C@H]1CCC[C@@H]1O	159563430	ISANLMGYDQBRMS-CJNGLKHVSA-N	281.371	2.687	70	20	CFID	
CN(Cc1cccc(C(F)(F)F)c1)[C@@H](CN)C1CC1	159741854	KPMUUNGTHUSDBV-ZDUSSCGKSA-N	272.314	2.875	70	20	CFID	
CC[C@@H]1COCCN1C(=O)c1sccc1Cl	216703817	UYBIUMXFAQHVEZ-MRVPVSSYSA-N	259.758	2.653	70	20	CFID	
C[C@@H](NC(=O)CNCC(F)(F)F)C1CCCCCC1	160656700	UAIROADETRUYJB-SNVBAGLBSA-N	280.334	2.613	70	20	CFID	
C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)F)cc1	864242081	UUUYPFLITUQILB-PWSUYJOCSA-N	299.367	2.511	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@H](C)[C@@H]1C	1337989641	HWMGKIZOJKXKHK-ONGXEEELSA-N	299.367	2.524	70	20	CFID	
CC[C@H](C)OCC(=O)N(c1nc(C)cs1)C1CC1	159640803	WXJJBOPKEUSFSH-JTQLQIEISA-N	268.382	2.762	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	161018749	CQWFZMGHKMRFCM-HZPDHXFCSA-N	286.419	2.786	70	20	CFID	
CCNCC1CCN(C(=O)[C@@H](C)c2cccs2)CC1	161054495	APBJBQYHRKPTAU-LBPRGKRZSA-N	280.437	2.700	70	20	CFID	
CCN1CCCC[C@@H]1CN[C@H](COC)Cc1ccccc1	161186875	VLGWZKHYFNWWTL-ZWKOTPCHSA-N	290.451	2.708	70	20	CFID	
O=C(N[C@@H]1CCC[C@H]1O)C1(c2ccc(F)cc2)CCCC1	161215120	NIPCJNSMEGNAIN-HUUCEWRRSA-N	291.366	2.667	70	20	CFID	
CC[C@H](Cc1ccc(C)cc1)N(C)CC(OC)OC	161281365	OXVWPBOJGLBHJO-OAHLLOKOSA-N	265.397	2.867	70	20	CFID	
COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCCO2)cc1	161328693	CUNIATHDUJETIE-HZPDHXFCSA-N	289.375	2.928	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CC[C@H](C)C[C@@H](C)C1	160067537	XWXYDVGTWPEVKV-UONOGXRCSA-N	298.427	2.796	70	20	CFID	
C[C@@]1(C(=O)Nc2cn[nH]c2)CCCc2ccccc21	160127424	AQIKIRKEXFNZFM-OAHLLOKOSA-N	255.321	2.642	70	20	CFID	
CCC[C@@H](C(=O)N1CCOc2ccncc21)C(C)C	160243402	LMTOTXFFOHBLCF-GFCCVEGCSA-N	262.353	2.879	70	20	CFID	
COCCN(Cc1ccccc1)Cc1ccc(N(C)C)nc1	160453565	UQLNUQJPZHWDKE-UHFFFAOYSA-N	299.418	2.796	70	20	CFID	
COc1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)ccc1Cl	160480499	OVGHNACPOFFEER-JTQLQIEISA-N	297.782	2.988	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccoc1	160875304	GKLMHGWWGXMIFW-ZDUSSCGKSA-N	263.337	2.891	70	20	CFID	
Cc1ccc(-c2noc([C@H](C)N(C)C[C@@H](C)O)n2)cc1F	159475505	FWVDLNVOPFEKRR-MNOVXSKESA-N	293.342	2.558	70	20	CFID	
Cc1cnc([C@H](C)CNC(=O)NCCc2ccco2)s1	159563432	ZYCRDNJDBVVUAZ-SNVBAGLBSA-N	293.392	2.690	70	20	CFID	
CN(C(=O)c1cc2c(s1)CCCCC2)[C@@H](CN)C1CC1	159871264	QUUCNGVLYCVJLV-ZDUSSCGKSA-N	292.448	2.826	70	20	CFID	
CC(C)n1nccc1NC(=O)c1ccnc(Cl)c1F	161084281	VJRUTQIOSKIXHA-UHFFFAOYSA-N	282.706	2.904	70	20	CFID	
CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238339	ZXZFWQSJRIDESI-TZMCWYRMSA-N	299.367	2.966	70	20	CFID	
Cc1ccc(S(=O)(=O)Cl)c(C)c1C(=O)Cl	159133026	PIDBBMHOKULFEJ-UHFFFAOYSA-N	267.133	2.610	70	20	CFID	
CCN(C)C(=O)c1cccc(C(=O)N2[C@H](C)CC[C@H]2C)c1	161496776	BBDOZWDYWNCTTJ-CHWSQXEVSA-N	288.391	2.792	70	20	CFID	
CCC(CC)CC(=O)N(C)CC(C)(C)CN1CCOCC1	160268231	OMDHABXAAWHORE-UHFFFAOYSA-N	298.471	2.630	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3occc3C)[nH]2)o1	160399004	SVIFGPFOBXFWGR-UHFFFAOYSA-N	272.264	2.527	70	20	CFID	
CC[C@H](NC[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCOC1	160413533	SLVAJNZVUKNSJY-IKGGRYGDSA-N	282.472	2.902	70	20	CFID	
CCOCCCN(CC)Cc1ccc(C(=O)N(C)C)cc1	160470039	LLCRUNMAESFOAM-UHFFFAOYSA-N	292.423	2.637	70	20	CFID	
Cn1cc(CNC(=O)c2occc2-c2ccc(F)cc2)cn1	160697682	BLXFANDRXBASJC-UHFFFAOYSA-N	299.305	2.749	70	20	CFID	
CC[C@@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1	160738743	RRHQBVMUSFUEMP-HIFRSBDPSA-N	260.381	2.738	70	20	CFID	
Cc1c(/C=C/C(=O)NC2(C)CCCCC2)cnn1C	160794872	IMHKXGPDEFZLIZ-BQYQJAHWSA-N	261.369	2.581	70	20	CFID	
CC[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(F)cc1F	160997940	DSKIFRUUDRMCHI-ZIAGYGMSSA-N	282.334	2.674	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@@H]1CCCN1	159445911	HPGXZKHFFMBUMQ-DOMZBBRYSA-N	294.826	2.872	70	20	CFID	
Cc1ccc([C@H](C)CNC(=O)[C@@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1	159657091	ZQSUNXSPYFHRLC-ZUOZUFPHSA-N	286.419	2.588	70	20	CFID	
COc1cc(C)cc(CNC(=O)NCC2(C)CCC2)c1	159478181	HSFIKJHYOQEPPA-UHFFFAOYSA-N	276.380	2.993	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(NC(N)=O)cc2)C1	159483275	XEBRMLHLTWHTEW-GHMZBOCLSA-N	275.352	2.942	70	20	CFID	
CCOCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159901946	LMWVTWCIONXNSQ-KRWDZBQOSA-N	284.359	2.632	70	20	CFID	
CCOCCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	159536980	RWNQZCRBISLJTO-GOEBONIOSA-N	291.391	2.697	70	20	CFID	
C[C@@]1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CCCc2ccccc21	159996295	CCYSRVUUYBUAGG-JTDSTZFVSA-N	298.430	2.634	70	20	CFID	
CC[C@@H](C)NC(=O)CCNCc1coc2ccccc12	159820517	FQKGVRHBGWCZGE-GFCCVEGCSA-N	274.364	2.827	70	20	CFID	
Nc1ccc(-c2nc([C@@H]3CCCCS3)no2)c(O)c1	160683007	QUGARVQXKIVEFV-NSHDSACASA-N	277.349	2.983	70	20	CFID	
O=C(NCC[C@H]1CCNC1)c1cc2ccc(F)cc2s1	161203393	XLWIWOZPZPWYGC-SNVBAGLBSA-N	292.379	2.770	70	20	CFID	
O=C(CCCCc1ccccc1)N1CCc2ncncc2C1	218061286	QMFWSJHLDMJAHA-UHFFFAOYSA-N	295.386	2.774	70	20	CFID	
CCN(C[C@H]1CCOC1)C(=O)c1cccc(C)c1F	161505367	YKOSFXTWDFFACF-GFCCVEGCSA-N	265.328	2.633	70	20	CFID	
Fc1ccc(F)c(CN[C@H]2CCN3CCCC[C@@H]23)c1	217635128	UFGKKDCBHFYLMR-GJZGRUSLSA-N	266.335	2.681	70	20	CFID	
CCc1ncnc(NC[C@H](C)CN2CCCCC2)c1F	217982241	OQOBOTKMQGGLFB-LBPRGKRZSA-N	280.391	2.712	70	20	CFID	
CC(C)(C)OC1CCN(C(=O)Cc2ccccc2O)CC1	161010371	VZWMJXNVVLMDMJ-UHFFFAOYSA-N	291.391	2.741	70	20	CFID	
CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2ccnc2C1	161326157	VHPSKDFNTGQMCS-CVEARBPZSA-N	297.402	2.583	70	20	CFID	
Cc1csc(CCCCN[C@@H]2CCN(C)[C@H](C)C2)n1	160643928	FUUKSMRQEVFZKW-ZIAGYGMSSA-N	281.469	2.847	70	20	CFID	
CC[C@H](NCC(=O)NC(C)C)c1ccc(F)cc1F	160668763	WFAVKBFVMJHRJP-ZDUSSCGKSA-N	270.323	2.530	70	20	CFID	
C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)c2ccccc21	160759968	CFKWJASMCWHDKU-UKRRQHHQSA-N	299.418	2.804	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCc1cccc(Cl)c1	160818974	WVVBINKDMMNLIU-NSHDSACASA-N	297.782	2.731	70	20	CFID	
C[C@@H](c1nc(-c2cnccn2)no1)c1c(F)cccc1F	160891893	QWYLHLNLPIQEFE-MRVPVSSYSA-N	288.257	2.957	70	20	CFID	
Cc1nc(O)ccc1C(=O)N1CCc2ccc(Cl)cc21	160993944	IHLUKRKMMTWISO-UHFFFAOYSA-N	288.734	2.952	70	20	CFID	
CN(C(=O)Cc1ccc2ccccc2c1)[C@@H](CN)C1CC1	159809388	SQUNKQGWAITHJH-KRWDZBQOSA-N	282.387	2.578	70	20	CFID	
COc1ccc(CC(=O)NCC2(C3CC3)CC2)cc1	159668491	JPAZPXDAVZIHNI-UHFFFAOYSA-N	259.349	2.544	70	20	CFID	
COc1ccc(N(C)C(=O)/C=C/C2CCOCC2)cc1F	159519945	SDYWHAXMYHJRJD-ZZXKWVIFSA-N	293.338	2.780	70	20	CFID	
COc1ccc(N(C)C(=O)CC[C@@H]2CCOC2)cc1F	159522306	NMDDLZOZVBQNGS-LLVKDONJSA-N	281.327	2.614	70	20	CFID	
CC(C)CONC(=O)Nc1ccc(C(=O)NC(C)C)cc1	159363065	PXJVMSXUTAUNPT-UHFFFAOYSA-N	293.367	2.534	70	20	CFID	
CC1(C)C[C@@H](NCc2cnn(C(C)(C)C)c2)CCO1	160433918	DYRSPJFPHKFOPU-ZDUSSCGKSA-N	265.401	2.685	70	20	CFID	
COc1ccncc1NCc1ccccc1NC(C)=O	160648946	MAIKKDVFAUKGLE-UHFFFAOYSA-N	271.320	2.661	70	20	CFID	
CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1C	1336458734	UXLRFSPMUXWFNX-UHFFFAOYSA-N	287.356	2.572	70	20	CFID	
CCCCNC(=O)NCCc1cccc(Cl)c1	217304887	BLHFJZUZDGRXIZ-UHFFFAOYSA-N	254.761	2.982	70	20	CFID	
Cc1ccc(CNC(=O)[C@@H](C)C2CCOCC2)cc1F	161025684	ZKAZSQBLSPKMPI-LBPRGKRZSA-N	279.355	2.813	70	20	CFID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCNC1	161052746	UKBGTONPXNRLFG-GXTWGEPZSA-N	294.826	2.729	70	20	CFID	
CCOc1cccc([C@@H](C)NCc2cn(C)nc2C)c1	161302648	QAYRWKOPYVZMRN-GFCCVEGCSA-N	273.380	2.978	70	20	CFID	
CCCn1c(C)nnc1COc1ccc(C(C)=O)c(F)c1	161337921	NXGCCJCNRIMIJO-UHFFFAOYSA-N	291.326	2.917	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCO)C(C)(C)C)o1	161343412	OJAPBRQMYIVAGA-YPMHNXCESA-N	282.384	2.745	70	20	CFID	
CCO[C@@H](C)c1nccn1Cc1cnc(C)s1	161474821	YPMKSUXAQRANEE-VIFPVBQESA-N	251.355	2.794	70	20	CFID	
CCOCCO[C@H](C)C(=O)N[C@@H]1CCCc2sccc21	160082354	ZHORYLGLWHGADV-DGCLKSJQSA-N	297.420	2.683	70	20	CFID	
Cc1ccc(NC(=O)[C@H]2CCCNC2)cc1OC(F)F	160092201	RCRUGJNZBYGNMT-JTQLQIEISA-N	284.306	2.535	70	20	CFID	
CCCCNC(=S)Nc1ccc(F)c(OC)c1	160228119	DSPUKDLZFJDEDJ-UHFFFAOYSA-N	256.346	2.921	70	20	CFID	
C[C@@H](NC[C@@H](C1CCCCC1)N(C)C)[C@H]1CCOC1	160396909	PZENLXXABSUEQI-KBMXLJTQSA-N	268.445	2.512	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)Cc3ccsc3)[nH]2)o1	160420577	RMLXOEASKYLVTH-UHFFFAOYSA-N	288.332	2.616	70	20	CFID	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](C)CO	160495712	HYCPCYINYXFDMF-JSGCOSHPSA-N	292.423	2.810	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccccn2)c1C	159848409	TYDSFEMNLGMAKP-DZGCQCFKSA-N	298.390	2.884	70	20	CFID	
C/C=C(/C)C(=O)N(CC(F)(F)F)c1ccccn1	159514803	YVTXZQZCCGTKTB-OQFOIZHKSA-N	258.243	2.943	70	20	CFID	
Cc1cccc([C@H](C)C(=O)N2CCOC(C)(C)C2)c1	159746090	VUMVTCXTVYMMDU-ZDUSSCGKSA-N	261.365	2.736	70	20	CFID	
Cc1cccc(C)c1NC(=O)C(=O)N1CCC2(CCC2)C1	159382040	HEDLNUUQZJYXCQ-UHFFFAOYSA-N	286.375	2.645	70	20	CFID	
CCO[C@@H](c1ccccc1)c1noc(CNCC(C)C)n1	159973847	HRGNOWUSYKVMDQ-HNNXBMFYSA-N	289.379	2.941	70	20	CFID	
CCNc1nc(C(=O)N[C@H]2CCC[C@H]2CC)cs1	159499684	BTHBTTLXIAGNRG-ZJUUUORDSA-N	267.398	2.883	70	20	CFID	
CN(CCOc1ccc(Cl)cc1)CC1=CCCOC1	161162917	ZQIQGHJWQMJKNY-UHFFFAOYSA-N	281.783	2.997	70	20	CFID	
O=C(NCCc1cscn1)N1C[C@H]2CCCC[C@H]2C1	159515740	FXRYECHAPCOLFF-TXEJJXNPSA-N	279.409	2.517	70	20	CFID	
CCSCc1ccc(C(=O)N2CCC[C@H]2CNC)cc1	161247181	FPVIZFURMLNXTE-HNNXBMFYSA-N	292.448	2.764	70	20	CFID	
Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)cn1	161405569	NBERSUIIWSYWPM-LLVKDONJSA-N	256.309	2.668	70	20	CFID	
CSC[C@@H](CCO)N[C@@H]1CCc2cc(F)ccc21	160153574	NUJQIVGMGSUYQN-TZMCWYRMSA-N	269.385	2.517	70	20	CFID	
Cc1cccc([C@H](C)NCCN2CCC(N(C)C)CC2)c1	160283505	JWWDUACBDUEISN-INIZCTEOSA-N	289.467	2.672	70	20	CFID	
CCC(N)(CC)CNC(=O)/C=C/c1ccc2ccccc2n1	160466506	ZDFJHAKLXFYDBY-VAWYXSNFSA-N	297.402	2.882	70	20	CFID	
CN[C@@H]1CCN(C(=O)CCc2ccc3ccccc3c2)C1	160755413	WMQHYFWGGXMGRP-QGZVFWFLSA-N	282.387	2.593	70	20	CFID	
CCc1ccc([C@H](C)C(=O)N[C@H]2CCC[C@H](N)C2)cc1	160812871	QQZOXAVIYCPBLE-RCBQFDQVSA-N	274.408	2.739	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@@H](C)CCC1CCCCC1	160916242	IMIZHPGMFKFWRM-JSGCOSHPSA-N	286.485	2.932	70	20	CFID	
CCC(C)(CC)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	159493463	IMQGRQCGMNNGPX-QWHCGFSZSA-N	253.386	2.887	70	20	CFID	
C[C@H](CO)SCc1noc(C2CCCCC2)n1	159844456	NZOMYXDZZOBALL-SECBINFHSA-N	256.371	2.731	70	20	CFID	
C[C@@H]1CC[C@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)O1	159893660	CQEJZVWLGMQLQO-RDDDGLTNSA-N	289.253	2.917	70	20	CFID	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)CC(N)=O	161363370	WHXBZOLHGYQJBW-IUCAKERBSA-N	283.441	2.664	70	20	CFID	
O=C(Cc1cc(F)ccc1Br)NCCCF	159410181	HDPKZJMEMSOKFW-UHFFFAOYSA-N	292.123	2.607	70	20	CFID	
CC[C@H](Cc1ccccc1)N(C)C(=O)CC1(N)CCC1	161108101	ORYDTMAZMSQZNM-OAHLLOKOSA-N	274.408	2.738	70	20	CFID	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCNC1	161247128	XWJQFLWSUAWEDV-NWANDNLSSA-N	290.382	2.530	70	20	CFID	
Cn1nccc1CSc1nnc(C2CC2)n1C1CC1	161283628	LWVVKCBVYRLZGG-UHFFFAOYSA-N	275.381	2.516	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(N2CCCC2=O)cc1	161420766	XVIVXDGQQFEWNP-CHWSQXEVSA-N	286.375	2.826	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(Cl)ccc1F	160065571	ATWXDQBVFQTBER-MRVPVSSYSA-N	287.718	2.551	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H]1CCC[C@H](C)C1	160078828	ISKSDPDYJWZXQG-RWMBFGLXSA-N	269.385	2.661	70	20	CFID	
O=C(Nc1cccc2[nH]cnc12)[C@@H]1OCCc2ccccc21	160437596	ZZLQKXGQMKWZKX-MRXNPFEDSA-N	293.326	2.815	70	20	CFID	
N[C@H]1CCC[C@H](C(=O)NCCc2cc3ccccc3o2)C1	160486969	PLWPKODGETWBRV-KBPBESRZSA-N	286.375	2.609	70	20	CFID	
CCn1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)c1=O	160575259	ZSCNDRTYSXPDQS-GJZGRUSLSA-N	299.374	2.595	70	20	CFID	
CCC(CC)(CCO)CNC(=O)Cc1nc(C)sc1C	160910936	DDFXSEAAKOQTRP-UHFFFAOYSA-N	298.452	2.607	70	20	CFID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cncnc1C	160932391	VRTPLVDRDUWLDK-GXTWGEPZSA-N	261.369	2.826	70	20	CFID	
Cc1nc(C)c(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)s1	159430312	JFFQNTJROYUQDN-RKDXNWHRSA-N	297.424	2.515	70	20	CFID	
C[C@H]1CCC[C@H](NC(=O)c2cnc3c(c2)ncn3C)[C@@H]1C	159645752	QINQYOQUFFGASS-LOWVWBTDSA-N	286.379	2.523	70	20	CFID	
Cc1cc(C(=O)Nc2cc(F)ccc2OC(F)F)on1	159450452	BPLFSJJXXOSBNR-UHFFFAOYSA-N	286.209	2.976	70	20	CFID	
CC[C@@H]1CCCCN1CCNC(=O)CCCn1cccc1	159530416	QGGNZICTBZDIPX-MRXNPFEDSA-N	291.439	2.649	70	20	CFID	
CC1CCN(CC(=O)NCCc2cc3ccccc3[nH]2)CC1	159533333	CUZNXVXNEYVPJV-UHFFFAOYSA-N	299.418	2.559	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H]2CCCCC2(C)C)CC1	159976358	DMQHMHFEEFLPBS-CQSZACIVSA-N	281.444	2.692	70	20	CFID	
CC[C@@H](OC)c1nc(-c2ccc(Br)cn2)no1	218612783	JWXNCPMMHQGAEN-SECBINFHSA-N	298.140	2.992	70	20	CFID	
CCOC[C@H](O)CN1CCC[C@@H](c2ccccc2)CC1	217183661	AOJXQACARYBMNC-IAGOWNOFSA-N	277.408	2.654	70	20	CFID	
CCC[C@H](COC1CCCC1)CS(=O)(=O)Cl	114476497	KMCCIOHMMQOHLM-SNVBAGLBSA-N	268.806	2.931	70	20	CFID	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C(C)(C)C	776368154	PAGIJMGQGGEMKV-VIFPVBQESA-N	287.356	2.966	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C(C)C)C1CC1	1120857404	YQIZPJNLWCAQJP-UHFFFAOYSA-N	299.367	2.666	70	20	CFID	
Cc1ccc(Br)cc1CS(=O)(=O)Cl	106675569	LEZTYDAHOKCJQG-UHFFFAOYSA-N	283.574	2.826	70	20	CFID	
CC(C)(C)OC(=O)N(CCNCc1nccs1)C1CC1	218187126	LILPDTYFRNWWIM-UHFFFAOYSA-N	297.424	2.632	70	20	CFID	
Cc1cc(C)c(CNC(=O)[C@H]2CCCCO2)c(C)c1	161038942	WAKFASSAUMGXGO-OAHLLOKOSA-N	261.365	2.797	70	20	CFID	
Cc1cccc(-c2cncc(C(=O)NCC[C@H](C)O)c2)c1	161159460	SDUGIHZEFRBVMQ-ZDUSSCGKSA-N	284.359	2.558	70	20	CFID	
COc1ccc(NC(=O)[C@H](C)OCCC(C)C)cc1N	161226744	HRGQAKDUIKWRFK-NSHDSACASA-N	280.368	2.667	70	20	CFID	
C[C@H]1CN(C(=O)CCc2ccc(F)cc2F)CC(C)(C)O1	161473743	PHMJTKRYNVZRDD-NSHDSACASA-N	297.345	2.923	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](C)CC)c1C	160116235	APGPJXVIUVJWIR-JTQLQIEISA-N	252.362	2.912	70	20	CFID	
CCC(N)(CC)CNC(=O)c1cc2cccc(F)c2o1	160441673	RIYUKGGYAOLWGJ-UHFFFAOYSA-N	278.327	2.819	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccnc1	160658064	LZNXKHOAUZDMCT-AWEZNQCLSA-N	274.364	2.693	70	20	CFID	
CC(C)COCCN[C@H](C)c1ccc([S@@](C)=O)cc1	160704387	ARKIENYFKGLQCJ-YJYMSZOUSA-N	283.437	2.747	70	20	CFID	
COc1cccc2cc(C(=O)N[C@H](CO)CC(C)C)oc12	160873082	UFDWNVUZKFNGDH-LBPRGKRZSA-N	291.347	2.578	70	20	CFID	
CCOCc1cccc(NC(=O)N[C@H](COC)C2CC2)c1	159850754	WAKWDTLEVOFBAL-OAHLLOKOSA-N	292.379	2.770	70	20	CFID	
Cc1ccc(NC(=O)CCCc2nc(C3CC3)no2)nc1	159525117	LLNIHGCWALNDBF-UHFFFAOYSA-N	286.335	2.612	70	20	CFID	
COC[C@@H](NC(=O)Nc1cc(OC)ccc1Cl)C1CC1	159593338	IBWDFBZKMYHJFD-CYBMUJFWSA-N	298.770	2.895	70	20	CFID	
Cc1ccc(C(=O)CCN2C[C@H](C)N(C)[C@@H](C)C2)cc1	160216685	JFWKVZKUPNJWLK-GJZGRUSLSA-N	274.408	2.592	70	20	CFID	
C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccn1	160815784	QGRHKPMDIODIMW-MXYBEHONSA-N	260.381	2.936	70	20	CFID	
CC(C)(CCO)NC(=O)Cc1cccc(C(F)(F)F)c1	161505678	RURLDSKGVHWDTO-UHFFFAOYSA-N	289.297	2.525	70	20	CFID	
COCCN1CC[C@@H](c2cccc(Br)c2)C1	217246787	BPBSNVAIMLPYDD-GFCCVEGCSA-N	284.197	2.885	70	20	CFID	
FC(F)(F)COCCNCc1cccc2cc[nH]c12	218150845	WHHXVFVMKRVNPA-UHFFFAOYSA-N	272.270	2.836	70	20	CFID	
CCOCCC1(CNC(=O)CCC2CC2)CCC1	161122707	JAOOMHADXCRQBI-UHFFFAOYSA-N	253.386	2.890	70	20	CFID	
CNC(=O)C(C)(C)CNc1ccc2ccc(F)cc2n1	161059625	OPYHKDZAEGHVCL-UHFFFAOYSA-N	275.327	2.558	70	20	CFID	
COC(=O)N1CCC(NC(=O)C(C)(C)C2CCCC2)CC1	161072435	GKBINDVBDHOSDP-UHFFFAOYSA-N	296.411	2.550	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCc1ccccc1Cn1cccn1	160334814	RSNOPBZFZSZSOX-WMZOPIPTSA-N	297.402	2.984	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)c1ccccc1F	160581954	LHJFDMAVMNTIGH-NWDGAFQWSA-N	295.354	2.777	70	20	CFID	
CCc1cc(NC(=O)C[C@@H](C)c2ccncc2)nc(C)n1	160848968	PVBYKQBTSPDEGZ-LLVKDONJSA-N	284.363	2.875	70	20	CFID	
CCCC[C@@H](NC1CC=CC1)C(=O)Nc1cc(C)on1	160893556	YZPZQUCNXQIDOW-CYBMUJFWSA-N	277.368	2.789	70	20	CFID	
CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C)s1	160938077	FUUOGSXDOTUTRU-LLVKDONJSA-N	268.426	2.793	70	20	CFID	
COc1ccc(C)cc1NC(=O)N(C)[C@@H]1CCSC1	159411523	SZYXRKMRTZIYQR-LLVKDONJSA-N	280.393	2.973	70	20	CFID	
CCOC(=O)[C@H](CC)SCc1noc(C(C)C)n1	159857411	XLOSHTSYWGMICJ-VIFPVBQESA-N	272.370	2.768	70	20	CFID	
CCC(C)(CC)C(=O)N(C)c1ncccc1OC	159504272	PNTCQUFGOMJTDB-UHFFFAOYSA-N	250.342	2.879	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)NCCCOC1CCCCC1	159395701	PENRTAYZPQAPQD-HUUCEWRRSA-N	298.427	2.593	70	20	CFID	
COc1ccc(CNCc2ccc(C)o2)cc1NC(C)=O	159987006	IURHKKMKKRCFRX-UHFFFAOYSA-N	288.347	2.845	70	20	CFID	
C[C@@H](NCC(C)(C)CO)c1cnn(-c2ccccc2)c1	160124592	PZJDLZAQBFZWNR-CYBMUJFWSA-N	273.380	2.541	70	20	CFID	
C[C@H]1CCc2sc(C(=O)N3CCC(C)(O)CC3)cc2C1	161295694	KCWCITFDUJOQIW-NSHDSACASA-N	293.432	2.860	70	20	CFID	
CCOC(=O)c1coc(N[C@@H](C)CCSCC)n1	159477937	DXFIFBSPZCUNOE-VIFPVBQESA-N	272.370	2.795	70	20	CFID	
CCC(=O)c1cccc(NC(=O)[C@H](C(C)C)N(C)C)c1	160807197	NKRCBYOXQLNKFE-HNNXBMFYSA-N	276.380	2.804	70	20	CFID	
C[C@H](Cn1ccnc1)NCc1cccc2cc[nH]c12	218105420	LHBRYAKETVRRNU-GFCCVEGCSA-N	254.337	2.543	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)CCNC(C)C)cc1	161169109	WRVJYTLRZPZBDM-AWEZNQCLSA-N	262.397	2.603	70	20	CFID	
CCOCCN[C@H](c1ccc2c(c1)OCCO2)C(C)C	161471564	SIVOKZJKFQTGTP-INIZCTEOSA-N	279.380	2.781	70	20	CFID	
CN(CCc1nccs1)c1nc(C(C)(C)C)ns1	160094750	XOKHNYUCHRUVDT-UHFFFAOYSA-N	282.438	2.971	70	20	CFID	
CCn1nc(CNCC2(CO)CCCC2)c2ccccc21	160138214	MZDYAHUYNOKDJB-UHFFFAOYSA-N	287.407	2.699	70	20	CFID	
CCC(CC)CNC(=O)NC[C@](C)(O)[C@@H](C)CC	160596297	FSSOWLWTJBHUMR-FZMZJTMJSA-N	258.406	2.519	70	20	CFID	
O=C(CCc1ccc(F)cc1F)NCCOC1CCCC1	159615450	ZRHSUJYGZHRXHK-UHFFFAOYSA-N	297.345	2.973	70	20	CFID	
COC[C@@H](NC[C@H](C)N1CCc2ccccc2C1)C(C)C	159827047	HNEVJNZEQUGBEJ-MAUKXSAKSA-N	290.451	2.694	70	20	CFID	
OCC1(NCc2cccc3c2NCCC3)CCCCC1	159406953	PWBGGADMKGHVAW-UHFFFAOYSA-N	274.408	2.830	70	20	CFID	
c1ccc2c(c1)CC[C@]21CN(Cc2nccs2)CCO1	159627222	YRNBWIPYAWYYTA-INIZCTEOSA-N	286.400	2.817	70	20	CFID	
C[C@@H]1CCc2c(C(=O)N3CCC(C)(O)CC3)csc2C1	161264278	MJOMIUGLAWNNAM-LLVKDONJSA-N	293.432	2.860	70	20	CFID	
C[C@@H]1C[C@H](NC[C@@H](C)N(C)Cc2ccccc2)CCN1C	160853703	HIRSDHJIBOWGSQ-JFIYKMOQSA-N	289.467	2.579	70	20	CFID	
Cc1nn(C)c(C)c1CN(C)CCc1cccs1	161058087	WAMJHBWUISKNSL-UHFFFAOYSA-N	263.410	2.773	70	20	CFID	
CC[C@H](C)N(C)CCNC(=O)c1cc(Cl)ccc1O	217405475	XZJZSHLUNYYUPC-JTQLQIEISA-N	284.787	2.506	70	20	CFID	
C[C@@H](C(=O)NCC(C)(C)CN(C)C)c1c(F)cccc1F	161142153	IATAHVUISOGKFH-LLVKDONJSA-N	298.377	2.772	70	20	CFID	
CC1(O)CCN(C(=O)c2ccc3ccccc3c2O)CC1	161382074	SLHXYVPIJPRKML-UHFFFAOYSA-N	285.343	2.532	70	20	CFID	
COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccn(C)c1)N2	160287293	GSOKANCEUXVPLX-MRXNPFEDSA-N	297.358	2.763	70	20	CFID	
Cn1ccc(CNC(=O)CCc2ccc(F)cc2F)c1	160430290	HTACEZVMOWSADE-UHFFFAOYSA-N	278.302	2.552	70	20	CFID	
COc1cc(C(=O)Nc2ccc(F)cc2)cc(OC)c1O	160698664	WEDCTWSONIHSQN-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
Cn1nncc1CN1CCC[C@H]1c1nc2ccccc2s1	160701198	QEEJIKAARCTIBA-ZDUSSCGKSA-N	299.403	2.762	70	20	CFID	
CCc1ccc(CC(=O)Nc2cccc(NC(N)=O)c2)cc1	159499193	ADEMKBKYKDOREH-UHFFFAOYSA-N	297.358	2.921	70	20	CFID	
CCCCC[C@H](C)NC(=O)N1CCCN(CC)CC1	159512639	GWJUHVBWXRJAEY-AWEZNQCLSA-N	269.433	2.692	70	20	CFID	
CC(C)c1cc(CNC(=O)c2cccc3[nH]cnc23)on1	159549725	KXDOMRMJXOPHSQ-UHFFFAOYSA-N	284.319	2.604	70	20	CFID	
CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1	159769660	PRMAULQQNISJRA-QWHCGFSZSA-N	280.437	2.842	70	20	CFID	
CC(C)(C)[C@H]1CCN(C(=O)[C@H](N)c2ccccc2)C1	159515534	KYCVBDLJEMSBQN-UONOGXRCSA-N	260.381	2.581	70	20	CFID	
CCSCC[C@H](C)NC(=O)c1ccc(C(N)=S)cc1	160248371	VIVDWHBOZGQQBF-JTQLQIEISA-N	296.461	2.582	70	20	CFID	
C[C@H]1CCc2sc(C(=O)NC(C)(C)CCO)cc2C1	161500296	NHZPQCGNCNCHQU-JTQLQIEISA-N	281.421	2.764	70	20	CFID	
COc1ccc(CN2[C@H]3CC[C@H]2CC(=O)C3)cc1C	217715105	RPBRUIVTPHAROA-KBPBESRZSA-N	259.349	2.700	70	20	CFID	
CCc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc(Cl)n1	217807449	RDRWLJQZJZFJLY-SNVBAGLBSA-N	295.814	2.510	70	20	CFID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H]2CCN(C)[C@H](C)C2)C1	161013014	KIGRPLGCBLLSCC-BRWVUGGUSA-N	295.515	2.959	70	20	CFID	
CC[C@H](CSc1ccc(C)c(C)c1)NS(C)(=O)=O	161113631	ZTOHYGMHYRXVNL-GFCCVEGCSA-N	287.450	2.723	70	20	CFID	
Cc1nc(CC(C)C)sc1C(=O)N[C@@H]1CCC[C@@H](N)C1	161209758	HCEARHGMNVSGTF-VXGBXAGGSA-N	295.452	2.650	70	20	CFID	
CC[C@H](O)CCNC(=O)CCCOc1ccc(C)cc1C	161282839	IPYNLMXQPKQOGJ-HNNXBMFYSA-N	293.407	2.740	70	20	CFID	
Cn1cccc1C(=O)N[C@H]1CCOC2(CCCCC2)C1	161455972	DJJORXQLKBSDFD-ZDUSSCGKSA-N	276.380	2.637	70	20	CFID	
O=C([C@H]1CCCCO1)N(Cc1ccco1)CC(F)(F)F	160113040	XDZWBBIJAZJJHP-LLVKDONJSA-N	291.269	2.740	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)CCCc1cccs1	160478819	SCVQZNQPXCJBTL-NSHDSACASA-N	283.393	2.529	70	20	CFID	
CC(C)C[C@H](CO)NC(=O)C[C@@H]1CCc2ccccc21	160641652	QURLYAKBJHVIRZ-LSDHHAIUSA-N	275.392	2.630	70	20	CFID	
Cc1cc(C(=O)NOCc2cccnc2)c(C)n1C(C)C	160772650	YXBNUGAADNRQOZ-UHFFFAOYSA-N	287.363	2.942	70	20	CFID	
C[C@@]1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCCO1	160948941	WUCMQUACFQSQNM-ZFWWWQNUSA-N	281.396	2.554	70	20	CFID	
CCCCS(=O)(=O)N(C)[C@@H](CC)c1ccncc1	159795650	MXUBDXHXFZWMNT-ZDUSSCGKSA-N	270.398	2.594	70	20	CFID	
Cc1noc(C)c1C[C@@H](C)NC(=O)OC(C)(C)C	159842703	TZROTBSADSEKBR-MRVPVSSYSA-N	254.330	2.747	70	20	CFID	
COc1cc(NCc2ncnn2CC(C)C)ccc1F	160284753	GKVCJGQUSFPSHQ-UHFFFAOYSA-N	278.331	2.694	70	20	CFID	
CCC[C@@](C)(NC(=O)C1CCC(F)(F)CC1)C(=O)OC	160998529	BPJAZXOLGSXTPX-CYBMUJFWSA-N	291.338	2.660	70	20	CFID	
Cc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1F	161108226	DXGGVBFRXXVIJF-UHFFFAOYSA-N	284.294	2.668	70	20	CFID	
CCCCO[C@@H](C)C(=O)N1CCc2c(F)cccc2C1	161114490	LGXHPTLJVZOKEG-LBPRGKRZSA-N	279.355	2.916	70	20	CFID	
CC[C@@H](COC)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1	161147271	CLLXMAYJFLTSFR-WMLDXEAASA-N	291.391	2.924	70	20	CFID	
CC(C)(C)OC(=O)NCCNC(=O)C(C)(C)C1CCCC1	161414521	VBRLFSUIJQNFKN-UHFFFAOYSA-N	298.427	2.844	70	20	CFID	
C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CC[C@H](O)CC1	161462393	GDDPJWCBXUUPIX-BNOWGMLFSA-N	295.810	2.938	70	20	CFID	
c1ccc2[nH]c(N[C@@H]3CCO[C@H](C4CC4)C3)nc2c1	160397281	WOWSMURIMUPWTA-RISCZKNCSA-N	257.337	2.932	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)o1	160416190	MFDMYBCGJZEBNH-OPIZNEOISA-N	290.407	2.654	70	20	CFID	
CCCn1nc(C)c(CN[C@H]2CCOC(C)(C)C2)c1C	160532524	OCRAHFZMVACXQL-AWEZNQCLSA-N	279.428	2.957	70	20	CFID	
C[C@@H](CC(=O)c1cccs1)NC(=O)CC1(O)CCCC1	160692216	GXJXFSCPJMUMKJ-NSHDSACASA-N	295.404	2.521	70	20	CFID	
Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccnc1)CO2	160779393	FXCWGPLXLFULGO-SWLSCSKDSA-N	297.358	2.884	70	20	CFID	
CCc1ncnc(N[C@@H]2CCOC(C)(C)C2)c1F	160851802	BQAJGWIRCHXEDF-SECBINFHSA-N	253.321	2.548	70	20	CFID	
Cc1cc(C(=O)NC2CC=CC2)c(C)n1Cc1ccccn1	160899613	CPCPPVMBBKTEJH-UHFFFAOYSA-N	295.386	2.997	70	20	CFID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc[nH]c2)n1	160929503	DQKKSNCKZQPWOK-UHFFFAOYSA-N	281.319	2.615	70	20	CFID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1ccccc1F	159613740	LNAQLHLZZCGTPN-BBRMVZONSA-N	290.382	2.706	70	20	CFID	
O=C(Nc1cn[nH]c1)[C@@H]1C[C@H]1c1ccccc1OC(F)F	159773466	MLNJRPWRQMXOSG-WDEREUQCSA-N	293.273	2.753	70	20	CFID	
CCCCCN(C)S(=O)(=O)c1ccc(OC)cc1	159584752	LLHGMRRTIJCTEP-UHFFFAOYSA-N	271.382	2.506	70	20	CFID	
CN(CCc1ccccn1)C(=O)N1CCCCCC1	160338219	TWWKHAGSBNXOEZ-UHFFFAOYSA-N	261.369	2.552	70	20	CFID	
CCN(CCCO)C(=O)c1cc2cc(C)ccc2o1	160484604	GVNSVRPHIISDHH-UHFFFAOYSA-N	261.321	2.586	70	20	CFID	
CCC(CC)CNC(=O)N1CCC[C@@H](N2CCCC2)C1	160555145	GQMNJQTWBAPSDZ-OAHLLOKOSA-N	281.444	2.692	70	20	CFID	
Cc1csc(CNC(=O)[C@@H]2CCC[C@H](C)C2)n1	159780211	UNWAUGAFDSLLFF-GXSJLCMTSA-N	252.383	2.894	70	20	CFID	
O=S(=O)(Cl)CCc1cccc(C(F)(F)F)c1	104673202	UHRLFHHBPMGTBR-UHFFFAOYSA-N	272.675	2.817	70	20	CFID	
Cc1ccc2cccc(C(=O)N[C@@H]3CCC[C@@H](N)C3)c2n1	161409162	XSDRWSABHOGIKE-ZIAGYGMSSA-N	283.375	2.543	70	20	CFID	
Cc1cccc([C@H](NC(=O)c2cocn2)c2ccccn2)c1	160079503	NPFRPWHZVRBCKQ-INIZCTEOSA-N	293.326	2.897	70	20	CFID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CCCS1	160175415	UXQYZFNFCARJSS-BXKDBHETSA-N	297.424	2.590	70	20	CFID	
CC(C)(C)c1nnnn1CC(=O)CCC1CCCC1	160341229	UBWGSLFLVOULIQ-UHFFFAOYSA-N	264.373	2.510	70	20	CFID	
COc1ccc(CCCC(=O)N[C@@H](CCO)C(C)C)cc1	160484699	IQQQSDXPSMSFEM-INIZCTEOSA-N	293.407	2.541	70	20	CFID	
Cc1cc(F)cc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)c1	160598602	WLOLMRCGUTXSJQ-RYUDHWBXSA-N	280.343	2.759	70	20	CFID	
CC[C@](C)(NC(=O)NCC(C)C)c1nccs1	160794398	MLDZBIKQRLIIHW-LBPRGKRZSA-N	255.387	2.724	70	20	CFID	
O=C(NC[C@@H](O)c1ccsc1)NC1CCCCCC1	160863425	BQFOUOKCRZZFGE-CYBMUJFWSA-N	282.409	2.804	70	20	CFID	
CO[C@@H](C(=O)N1C[C@@H](C)Oc2ncccc21)c1ccccc1	159685877	ZLMAKROHPGVKCM-IUODEOHRSA-N	298.342	2.583	70	20	CFID	
C[C@H](NC[C@@H](C)N1CCc2ccccc21)C1CCOCC1	159940003	QZYWARSMORDAOR-CABCVRRESA-N	288.435	2.842	70	20	CFID	
O=C(Nc1cccc2ncccc12)[C@@H]1CCCCO1	159778818	FDPZJKYQFBOQFE-AWEZNQCLSA-N	256.305	2.742	70	20	CFID	
CC(C)(C)c1csc(NC(=O)[C@H]2CCCCO2)n1	159784054	MVXQZMXCPWPNDN-SECBINFHSA-N	268.382	2.948	70	20	CFID	
CC(C)(O)[C@H]1CCCN1c1ccc(Br)cn1	159540291	SZGXQDJWXCTXAK-SNVBAGLBSA-N	285.185	2.584	70	20	CFID	
COc1ccc(CNC2(C)CCC2)c(OC)c1OC	159915322	JLXJLNLIDLAQII-UHFFFAOYSA-N	265.353	2.745	70	20	CFID	
C[C@H](NCc1cccc2cc[nH]c12)C(=O)N1CCCCC1	218126230	WEPINXUKEJCBQI-ZDUSSCGKSA-N	285.391	2.659	70	20	CFID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC1CCCC1	160532962	KPDIDGMTQBDGOJ-OLZOCXBDSA-N	254.418	2.802	70	20	CFID	
CC[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ncc[nH]1	218078495	ORZHIFHXFJLHCL-DGCLKSJQSA-N	257.337	2.781	70	20	CFID	
CCc1cc(-c2ccc(S(=O)(=O)Cl)cc2)on1	536952954	FXBUJBKDIHPYBO-UHFFFAOYSA-N	271.725	2.832	70	20	CFID	
Cn1nccc1CN1CCC(c2nc3ccccc3o2)CC1	161062810	PMSARPYPPVBIAQ-UHFFFAOYSA-N	296.374	2.941	70	20	CFID	
CCCn1ccc2ccc(NC(=O)[C@@H](N)CC)cc21	161281936	COOYHTQYOCWACG-ZDUSSCGKSA-N	259.353	2.727	70	20	CFID	
Cc1nc2ccccn2c1CN(C)C[C@@H]1CCCOC1	160246949	WYVRSCOSACWDJY-AWEZNQCLSA-N	273.380	2.501	70	20	CFID	
COC[C@@H](NC(=O)NC1CCC(C)(C)CC1)C1CC1	160336350	OBOMGIHJFPRVKK-CYBMUJFWSA-N	268.401	2.679	70	20	CFID	
Cc1noc(C)c1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160414524	HKPWQHAMLVKCRE-CYBMUJFWSA-N	292.379	2.903	70	20	CFID	
COc1ccc2c(c1)CN(CCCN1CCCCC1)CC2	160690756	CUWZMTJATRFEFM-UHFFFAOYSA-N	288.435	2.929	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](C)CNC)C(C)(C)c1ccccc1	160761745	RMQBGGOHFOTUPD-DZGCQCFKSA-N	276.424	2.715	70	20	CFID	
O=C(OCc1nc2ccccc2s1)[C@@H]1CCCCO1	159687816	WKYVWCPPSKQOSG-NSHDSACASA-N	277.345	2.909	70	20	CFID	
CCOc1ccc(NCc2ccc(C(N)=O)cc2)cc1F	159497400	ZPXOXQCSPJJEEA-UHFFFAOYSA-N	288.322	2.935	70	20	CFID	
CSC[C@@H](C)NC(=O)Nc1ccnc(C)c1Cl	159997658	WPXYPIJKOGNYLE-SSDOTTSWSA-N	273.789	2.916	70	20	CFID	
CO[C@]1(CNCc2ccc(C(F)F)cc2)CCOC1	160106739	IUZQNGUMVQULGV-AWEZNQCLSA-N	271.307	2.519	70	20	CFID	
CCc1cc(O)nc(CN(C)[C@@H](C)c2cccs2)n1	160880158	ZLIZWYCUFWNHFM-JTQLQIEISA-N	277.393	2.999	70	20	CFID	
CC(C)(C)C[C@H](CO)Nc1nccc(C(F)(F)F)n1	161428663	FIJJIGYRVWVDIN-MRVPVSSYSA-N	277.290	2.704	70	20	CFID	
CC[C@@H](COC1CCCC1)CS(=O)(=O)Cl	114472576	ZIWDNHMLXSPJTA-VIFPVBQESA-N	254.779	2.540	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864238058	BMSDCPQBSQQFKA-PWSUYJOCSA-N	299.367	2.653	70	20	CFID	
C[C@H]1CN(C(=O)c2ccc(N)cc2)[C@H](c2ccccc2)CO1	161086850	TVNNRTGMVXVUTB-GUYCJALGSA-N	296.370	2.871	70	20	CFID	
C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1cnccn1	161360015	FZQOVMGBVBHGAP-GFCCVEGCSA-N	271.339	2.998	70	20	CFID	
COc1ccc([C@H](C)NCC2(CO)CCCC2)c(OC)c1	160073567	WMNVFFSFGMQPRX-ZDUSSCGKSA-N	293.407	2.907	70	20	CFID	
CC(C)c1ncc(C(=O)N(C[C@H]2CCOC2)C2CC2)s1	160237943	VKFPSKUOUXYSFA-LLVKDONJSA-N	294.420	2.908	70	20	CFID	
COc1ccc2c(c1)CCC[C@@H]2N[C@@H](CCO)CSC	160361009	PTOLCWQEXOMFOW-BBRMVZONSA-N	295.448	2.776	70	20	CFID	
COc1ccc(NC(=O)c2cccn2C(C)C)cn1	160372598	GJTGRBZMUQMBGV-UHFFFAOYSA-N	259.309	2.725	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	160503310	FDBITHGEGZCQAD-STQMWFEESA-N	296.361	2.702	70	20	CFID	
C[C@H](NC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1	160858367	AQXVPZBODNXECA-HLLBOEOZSA-N	276.424	2.522	70	20	CFID	
CN(CCC1CC1)C(=O)c1csc([C@@H]2CCCO2)n1	160977183	ADJCKWZFFOAUAA-LBPRGKRZSA-N	280.393	2.867	70	20	CFID	
CC(C)[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1	159812712	NOQQKEZABVNVPM-JSGCOSHPSA-N	280.799	2.639	70	20	CFID	
CC(C)C[C@@H](C)OCCC(=O)N[C@@H](CO)CC(C)(C)C	159943726	MUKNWHLJBXFMAF-ZIAGYGMSSA-N	287.444	2.741	70	20	CFID	
CS[C@@H](C)C(=O)NCCOc1ccccc1Cl	159397650	LVIHLNUUUGVIIQ-VIFPVBQESA-N	273.785	2.587	70	20	CFID	
Clc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1	159649413	XNIGWSPBNSIARK-BNOWGMLFSA-N	278.783	2.782	70	20	CFID	
CCC(CC)CNC(=O)N1CCC[C@H](N2CCCC2)C1	160555038	GQMNJQTWBAPSDZ-HNNXBMFYSA-N	281.444	2.692	70	20	CFID	
CCCN(CCO)Cc1ccc(Br)c(C)c1	161204149	IEHJCZKNGHLDQS-UHFFFAOYSA-N	286.213	2.962	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ncn1	161238541	NOZMOKBLZJPZFD-SNVBAGLBSA-N	275.739	2.929	70	20	CFID	
Cc1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)[nH]n1	160082514	MQHQRGODKQGAQV-UHFFFAOYSA-N	299.252	2.798	70	20	CFID	
O=C(N[C@H]1CCCc2sccc21)[C@@H]1C[C@@H]2CC[C@@H]1O2	160118233	CLMLVTDLDZYGAJ-RYDUCSDGSA-N	277.389	2.809	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)NC[C@@]1(O)CCSC1	160217639	DFRVCJBOLUPGFB-WFASDCNBSA-N	285.453	2.577	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)CCc1ccccc1	160488058	YUKMIMRNRBRCKC-QGZVFWFLSA-N	288.435	2.856	70	20	CFID	
CC[C@@H](NC(=O)c1cccnc1OC)c1c(C)noc1C	160640594	PUVYIZJHPKVQNE-GFCCVEGCSA-N	289.335	2.576	70	20	CFID	
Cc1ccccc1OCCCC(=O)N[C@H](CCO)C(C)C	160650484	JRYUXOPGSFCJCY-OAHLLOKOSA-N	293.407	2.677	70	20	CFID	
Cc1cc(F)cc(NC(=O)CN(C)[C@@H]2CCSC2)c1	160661315	ZJHCFMUKXSWORA-CYBMUJFWSA-N	282.384	2.510	70	20	CFID	
CCC[C@H](CC)NC(=O)N1CCO[C@H](CCC)C1	160683133	SMZJJFOMSPHHKF-QWHCGFSZSA-N	256.390	2.776	70	20	CFID	
C[C@@H](CC(=O)NCc1cnn(C)c1)c1ccc(F)cc1F	160694579	FZRMJLYWCYYKTM-JTQLQIEISA-N	293.317	2.508	70	20	CFID	
CCc1nnc(COc2ccc(OCC3CC3)cc2)o1	160738659	GINRCIRNGHRQBH-UHFFFAOYSA-N	274.320	3.000	70	20	CFID	
CCC(CC)n1nccc1C(=O)Nc1ccccn1	160837880	YIPFHMNXNYFOGH-UHFFFAOYSA-N	258.325	2.892	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(OCCOC)c(F)c1	160873466	PQDWDSCHPFHUBR-NSHDSACASA-N	299.342	2.605	70	20	CFID	
CC(C)NC(=O)CN[C@H]1CCCOc2c(Cl)cccc21	160927619	SKSJPBIYJFXLPK-ZDUSSCGKSA-N	296.798	2.668	70	20	CFID	
C[C@@H]1CC[C@H](NC(=O)NCCn2cccn2)c2ccccc21	159692215	PNCBBULQUPEFBL-CJNGLKHVSA-N	298.390	2.821	70	20	CFID	
CCc1ccc([C@H](C)NC(=O)[C@H]2CCCCO2)cc1	159959209	QUUBFMJLPPCEKS-SWLSCSKDSA-N	261.365	2.995	70	20	CFID	
Cc1cccc([C@@H](NC(=O)[C@H](C)N(C)C)c2ccccn2)c1	159799430	PTYKDYNDCCEQBK-WMLDXEAASA-N	297.402	2.546	70	20	CFID	
CCN(CCCO)C(=O)c1ccc(F)c(C(F)(F)F)c1	160484736	SPDUUZRQXYYGGK-UHFFFAOYSA-N	293.260	2.689	70	20	CFID	
C[C@@H](NCc1cc(F)cc(Cl)c1)C(=O)NC(C)(C)C	160980589	JWLVQMZJLYQGTR-SECBINFHSA-N	286.778	2.872	70	20	CFID	
CCOC(=O)[C@H]1CCCCN1Cc1cnc(C2CC2)s1	161279430	NUJVPGMJFZTMHM-CYBMUJFWSA-N	294.420	2.938	70	20	CFID	
CC(C)N(C(=O)c1ccc(S(=O)(=O)F)cc1)C1CCC1	864239224	CTVHCKRFBBWHDX-UHFFFAOYSA-N	299.367	2.748	70	20	CFID	
O=C(CSc1ccc(Cl)cc1)N[C@H]1CCC[C@H]1CO	217935887	RLHTYIFRWFSRAV-GWCFXTLKSA-N	299.823	2.709	70	20	CFID	
CCCCn1c(SCc2nncn2C)nc(C)c1C	161019540	MIGLOZTUCHDCQO-UHFFFAOYSA-N	279.413	2.721	70	20	CFID	
CCCn1c(C)nnc1COc1ccc(-c2nnco2)cc1	161221593	PEHLSVFKCVCKAP-UHFFFAOYSA-N	299.334	2.626	70	20	CFID	
COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCOC2)o1	161228394	LYWPVRZODILGLE-TZMCWYRMSA-N	293.363	2.516	70	20	CFID	
CC1=C(C(=O)NCCCc2nc3ccccc3[nH]2)CCCO1	161252967	NVRCXXLLXLPKRF-UHFFFAOYSA-N	299.374	2.696	70	20	CFID	
C[C@@H](CC(=O)Nc1cc(CN(C)C)ccn1)c1ccncc1	161255111	CKJSBIPWQXJUQN-ZDUSSCGKSA-N	298.390	2.671	70	20	CFID	
Cc1ncncc1C(=O)N1CCc2c(Cl)cccc21	161483208	ZYKODXPAFOXXAN-UHFFFAOYSA-N	273.723	2.641	70	20	CFID	
CS[C@H](C)CC(=O)N(C)[C@H](C)c1cccnc1	161489046	KLMBDKLZQLQINW-GHMZBOCLSA-N	252.383	2.743	70	20	CFID	
CCCC(=O)NCc1ccc(COC2CCOCC2)cc1	161493352	IAIUPIQLXXRYHW-UHFFFAOYSA-N	291.391	2.799	70	20	CFID	
CCN(C)C(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O	160109542	LXZFEIACSPOQKF-HNNXBMFYSA-N	288.391	2.641	70	20	CFID	
COc1cccc(C(=O)NC[C@H]2CCCN2CC(C)C)c1	160559958	XWQGGEMJIZZWIM-OAHLLOKOSA-N	290.407	2.545	70	20	CFID	
COc1cc([C@@H](C)NCC(C)(C)O)ccc1SC	160636889	MVEDGASFRCYSEX-SNVBAGLBSA-N	269.410	2.839	70	20	CFID	
CCc1cc(C(=O)N2[C@@H](C)COC[C@H]2C)oc1CC	160637334	JESXLFWOOMGMBO-PHIMTYICSA-N	265.353	2.654	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(-n2cccn2)nc1	160876531	WRVUTEZUXFKILA-IUODEOHRSA-N	270.336	2.642	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@H](C)CCC1CCCCC1	160916328	IMIZHPGMFKFWRM-OCCSQVGLSA-N	286.485	2.932	70	20	CFID	
CCN(C(=O)NC[C@H]1CCCCN1CC(C)C)C(C)C	160985506	DGIQKDRBHYQMDP-OAHLLOKOSA-N	283.460	2.937	70	20	CFID	
CCC[C@@](C)(O)C(=O)NC[C@H](OC)c1ccccc1Cl	159442281	DMCLVOJGLCURPA-DZGCQCFKSA-N	299.798	2.695	70	20	CFID	
O=C(C[C@H]1CCCCO1)N[C@H]1CCOC2(CCCC2)C1	159906369	IYUIRUFNEFSIEO-UONOGXRCSA-N	281.396	2.554	70	20	CFID	
Cc1nsc(NC(=O)c2cc(C)c(F)c(C)c2)n1	159555229	GTHZEGXTFAUUBG-UHFFFAOYSA-N	265.313	2.855	70	20	CFID	
CO[C@@]1(CNc2nc(Cl)nc3ccccc23)CCOC1	161055795	IYPAVJOHMRHBDJ-CQSZACIVSA-N	293.754	2.501	70	20	CFID	
CN(Cc1ccc(Br)cc1)Cc1csnn1	160802350	KXIQUDQCIWLYCE-UHFFFAOYSA-N	298.209	2.933	70	20	CFID	
CCCCN(C(=O)c1cccc(S(=O)(=O)F)c1)C1CC1	1515237598	QIBYEIAJPIEHOL-UHFFFAOYSA-N	299.367	2.750	70	20	CFID	
O=C([C@@H]1CCCS1)N1CCc2c(F)cccc2C1	161015156	MDPUPSFKJVOSSQ-ZDUSSCGKSA-N	265.353	2.606	70	20	CFID	
CCC1CCC(CNC(=O)N2CCC[C@](C)(O)C2)CC1	161113093	BXMNUYGKXQRFGA-XUJLQICISA-N	282.428	2.759	70	20	CFID	
Cc1ccsc1CCCC(=O)NCCCn1cccn1	161204987	KKIXGXDGTFIZOR-UHFFFAOYSA-N	291.420	2.782	70	20	CFID	
CCC[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	161396187	AJZYBTMNDDODME-CHWSQXEVSA-N	276.380	2.532	70	20	CFID	
C[C@@H](C(=O)NCCCOC[C@@H]1CCCO1)c1cccs1	160037847	RLPUHFNFKPXHMO-OLZOCXBDSA-N	297.420	2.554	70	20	CFID	
CC(C)(N)CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	160123733	GMNSHFLYFZODJV-JKSUJKDBSA-N	282.387	2.797	70	20	CFID	
CSC[C@@H](CCO)N[C@H](Cc1ccccc1)C1CC1	160172145	RXIOINMBNDAGNL-HZPDHXFCSA-N	279.449	2.711	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)c1ccc(F)cc1	160279386	AXHFPIQVWAUXNV-RYUDHWBXSA-N	295.354	2.777	70	20	CFID	
CC(C)(C(=O)N1CCN(CC2CC2)CC1)C1CCCC1	160428310	WGBIDFMOWPBEEZ-UHFFFAOYSA-N	278.440	2.757	70	20	CFID	
C[C@@H](CC(=O)N(C)CCc1ccncc1)c1ccncc1	159625383	RTKOWYVMTFICPG-AWEZNQCLSA-N	283.375	2.671	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CCCOC1	159842587	MXGNRRAKSNBQSR-ZYHUDNBSSA-N	265.378	2.668	70	20	CFID	
CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1	159532728	AFCQQKHSSVVZHU-AEGPPILISA-N	294.439	2.576	70	20	CFID	
c1cc(CN2CCC(N[C@H]3CCCSC3)CC2)ccn1	159541533	WAQXGEGXTDZXQU-INIZCTEOSA-N	291.464	2.531	70	20	CFID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](CC2CCCC2)C(C)C)C1	159547780	GJPWYZBHWNWWNN-CVEARBPZSA-N	294.439	2.576	70	20	CFID	
O=C(Nc1ccc2ncsc2c1)[C@@H]1CCn2ccnc2C1	159963033	OVUQDIIUOWSDPQ-SNVBAGLBSA-N	298.371	2.694	70	20	CFID	
CCOc1ccccc1CNC1CCC2(CC1)OCCO2	161439201	NOXLLDDXYIPEGZ-UHFFFAOYSA-N	291.391	2.861	70	20	CFID	
O=S(=O)(Cl)CCCCOCC1CCCC1	117842779	RBKNEBWIXRFQNV-UHFFFAOYSA-N	254.779	2.542	70	20	CFID	
C[C@@H](Nc1nc(C(C)(C)C)ns1)C(=O)OC(C)(C)C	160254619	RMBCZATWINPNSE-MRVPVSSYSA-N	285.413	2.978	70	20	CFID	
C[C@@H]1CC[C@@H](OCCCS(=O)(=O)Cl)C[C@H]1C	251646784	FKDFUPJFZSKARJ-GMTAPVOTSA-N	268.806	2.786	70	20	CFID	
CC1(NC(=O)NC[C@H]2CCc3ccccc32)CCC1	161126649	YKMSDLIRXGCGSX-CYBMUJFWSA-N	258.365	2.958	70	20	CFID	
Cc1cc(C(=O)N[C@H](C)c2ccccc2Cl)ncn1	161234768	XRCNOYLFHMTNJV-SNVBAGLBSA-N	275.739	2.929	70	20	CFID	
CCc1ccc(/C=C/C(=O)N(CCN(C)C)C(C)C)o1	161320418	NGKALSDNYQPDOA-MDZDMXLPSA-N	278.396	2.654	70	20	CFID	
CCOc1ccccc1N(C)S(=O)(=O)C[C@@H](C)CC	161329444	OTLZKEJWGBKKPY-LBPRGKRZSA-N	285.409	2.897	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)n1	160239447	NMMIAUAUTZRBFO-CHWSQXEVSA-N	294.399	2.618	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)N[C@@H](C)CN2CCCCC2)C1	160366124	RDYRHDOSNIIEDN-KKUMJFAQSA-N	266.429	2.803	70	20	CFID	
COCC(C)(C)C(=O)Nc1nc2ccccc2s1	160430456	ZZNGIBJHRMCKIM-UHFFFAOYSA-N	264.350	2.907	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H]1CCc2ccccc21	160555115	XNYWCTIOWSSMTI-OCCSQVGLSA-N	289.375	2.564	70	20	CFID	
CCCC[C@@H](COC)NC(=O)C[C@H](C)c1ccncc1	160704050	QASKOBFIXMMQED-ZFWWWQNUSA-N	278.396	2.897	70	20	CFID	
CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)c1cccs1	160916525	KTAMYVOZNAILLO-GFCCVEGCSA-N	296.436	2.820	70	20	CFID	
Cn1cc(C(=O)N[C@H]2C=CCCC2)c(-c2cccs2)n1	159862142	BSLUSHZLMQKOPP-NSHDSACASA-N	287.388	2.987	70	20	CFID	
CCOC(=O)NCCCC(=O)Nc1cccc(OCC)c1	159684315	SGFKLNSKKWMBQZ-UHFFFAOYSA-N	294.351	2.550	70	20	CFID	
Cc1ccc(-c2cc(NC(=O)[C@H]3CC[C@@H](C)O3)[nH]n2)s1	159686645	LWSIZMWODFTWLI-LDYMZIIASA-N	291.376	2.953	70	20	CFID	
Cc1cccc([C@@H]2CCCN2C(=O)C[C@H]2COC(=O)C2)c1	159369263	YTNVOMUDEPAXDA-HIFRSBDPSA-N	287.359	2.612	70	20	CFID	
Cc1nccc(NC(=O)NCC2CCN(C)CC2)c1Cl	159987118	FJYIOUMETMTXFN-UHFFFAOYSA-N	296.802	2.507	70	20	CFID	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(C)o1	185110478	CCRLONBLQHSPJA-UHFFFAOYSA-N	297.307	2.807	70	20	CFID	
CC/C=C(/C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460096234	WQUCFEPSSIKRBF-UITAMQMPSA-N	271.313	2.640	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H](C)CSC)cc1F	159650809	FZWRNUCWZZBSJN-VIFPVBQESA-N	271.357	2.796	70	20	CFID	
CCCC(=O)NC1CCC(N2CCC(C)CC2)CC1	161485586	LSKPJZRQHXIADX-UHFFFAOYSA-N	266.429	2.946	70	20	CFID	
CC[C@H](C)n1ncc2c(C(=O)Nc3cn[nH]c3)cc(C)nc21	160128017	LEYUIOLRXYTQQF-JTQLQIEISA-N	298.350	2.686	70	20	CFID	
C[C@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccc(F)cc1	160656613	DZIQUAZSSKBIBR-WQVCFCJDSA-N	290.382	2.672	70	20	CFID	
CCCC1(CNC(=O)Nc2cc(CC)nn2C)CC1	160740657	QCTQQHRCECNDEK-UHFFFAOYSA-N	264.373	2.684	70	20	CFID	
O=C(CC1CC1)N[C@H]1CCOC2(CCCCC2)C1	160777500	ZYZDWWXCLFRDGJ-ZDUSSCGKSA-N	251.370	2.785	70	20	CFID	
C[C@@H](NC(=O)Nc1ccccc1)[C@@H](O)Cc1ccccc1	160954863	RWILYZHZAWUGTL-CJNGLKHVSA-N	284.359	2.800	70	20	CFID	
CCC1CCC(NC(=O)CNC(=O)CC2CCCC2)CC1	159861279	WJIAIYYJEZUKQG-UHFFFAOYSA-N	294.439	2.768	70	20	CFID	
COCc1cc(C(=O)N[C@H]2CCCc3sccc32)no1	159877442	LZCKUQJZTAEXHS-NSHDSACASA-N	292.360	2.690	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1ccnc(C)c1Cl	159394081	DOQZEQYIIPIDBI-UHFFFAOYSA-N	299.802	2.964	70	20	CFID	
Cc1ccc([C@H](C)N[C@H](C)C(=O)N2CCCC2)c(C)c1	159729127	GREHKWPMUCTKOT-LSDHHAIUSA-N	274.408	2.965	70	20	CFID	
COc1cc(N[C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1F	159953204	NQELQXUNNKDXGB-UHIISALHSA-N	266.360	2.975	70	20	CFID	
CCC(CC)(CN)C(=O)NCc1c(C)cc(C)cc1C	161175464	STJSTLXQACFOHC-UHFFFAOYSA-N	276.424	2.993	70	20	CFID	
COc1cc(NC(=O)c2ccc(F)nc2)ccc1F	160239143	LSKITTMAHSZTAP-UHFFFAOYSA-N	264.231	2.621	70	20	CFID	
CC1(C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864243021	XGWWJWWCTSUNJT-GFCCVEGCSA-N	299.367	2.653	70	20	CFID	
O=S(=O)(Cl)[C@H]1CCCC[C@H]1C(F)(F)F	222044523	XERHFIZAPJCPHO-RITPCOANSA-N	250.669	2.676	70	20	CFID	
CSC[C@@](C)(O)CNCc1cccc2c1OC(C)(C)C2	217859406	YRYUYHUKTMLOCK-INIZCTEOSA-N	295.448	2.604	70	20	CFID	
CCCCn1ncc(C(=O)N[C@H](C)c2ccccn2)c1C	161000728	MGYHKGMGDSYFRE-GFCCVEGCSA-N	286.379	2.878	70	20	CFID	
COCCOc1cccc(CC(=O)N2CCC(C)CC2)c1	161009346	AGDBKQDJYJZRSF-UHFFFAOYSA-N	291.391	2.513	70	20	CFID	
COc1cccc(CSCc2nnc(C)n2C)c1	161042881	VEAJBTHKJIZPCH-UHFFFAOYSA-N	263.366	2.566	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)NCc1cccc(OC)c1OC	161070169	OLSQQVZEBVEKSO-MLGOLLRUSA-N	277.364	2.756	70	20	CFID	
CC(C)NCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C	161245344	SGMCAOYZKNDUMN-HIFRSBDPSA-N	292.398	2.918	70	20	CFID	
CCNC(=O)c1cccc(C)c1OCc1nccs1	161277717	ALQKUAPNLXKVJY-UHFFFAOYSA-N	276.361	2.780	70	20	CFID	
Cc1ccc(NC(=O)N2CCOC3(CCCC3)C2)cn1	161306992	LRJISXFBUXVHTA-UHFFFAOYSA-N	275.352	2.567	70	20	CFID	
Cc1ccc(CNC2CCN(Cc3cccnc3)CC2)cn1	161324934	WXGHPVQVEBVDEF-UHFFFAOYSA-N	296.418	2.539	70	20	CFID	
CO[C@@H]1CCC[C@H]1Nc1nnc(C(F)(F)F)s1	160181306	LRHGQYRVSXRMOO-PHDIDXHHSA-N	267.276	2.536	70	20	CFID	
CC1(C)C[C@@H]1C(=O)Nc1ccc(N2CCOC2=O)cc1	160320433	UDIHGPNSTIYBMW-GFCCVEGCSA-N	274.320	2.628	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C)c(CC)s1	160368312	YHVSLHPXPPBIGE-JTQLQIEISA-N	283.393	2.690	70	20	CFID	
C[C@H]1CN(c2nnc(C(C)(C)C)s2)CC(C)(C)O1	160493913	KRZIEUIWQFJADA-VIFPVBQESA-N	269.414	2.839	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccccc1OC(C)C	160553166	XEOGKCQZBDDOMA-LBPRGKRZSA-N	293.363	2.545	70	20	CFID	
COCC(C)(C)C(=O)Nc1cnn(-c2ccccc2)c1C	160718441	BZRDKXBDUDMBOX-UHFFFAOYSA-N	287.363	2.792	70	20	CFID	
CC(C)C1(CNC(=O)[C@H]2CCCCCC[C@H]2N)CC1	160819497	PYSFQGYUXARZOU-UONOGXRCSA-N	266.429	2.837	70	20	CFID	
COC[C@H](NC(=O)c1cc(F)cc2cccnc12)C1CC1	159617596	PKYHUUBBOQBWIJ-AWEZNQCLSA-N	288.322	2.529	70	20	CFID	
O=C(Nc1cccc(Cl)c1F)[C@@H]1CCCCO1	159886232	XYRJVKMAICWRMN-JTQLQIEISA-N	257.692	2.987	70	20	CFID	
CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@H](O)C(C)C	159715491	AVYJBMHHVBGIOY-CYBMUJFWSA-N	299.798	2.874	70	20	CFID	
CCc1ccc(/C=C/C(=O)NCc2c(C)noc2C)o1	159364317	CZTTVNLQPCZRBM-BQYQJAHWSA-N	274.320	2.776	70	20	CFID	
Cc1cc(=O)n(C)cc1NC(=O)c1cc(C)c(F)c(C)c1	159958961	OHEYEPWUKDOROF-UHFFFAOYSA-N	288.322	2.702	70	20	CFID	
CCOc1ccccc1N(C)CC(=O)N1CCCCCC1	159382065	IZEQGFFEFPLFOK-UHFFFAOYSA-N	290.407	2.924	70	20	CFID	
CCCCn1ncc(NC(=O)NCCc2ccco2)c1C	159998201	JKGUGYKVYABLFN-UHFFFAOYSA-N	290.367	2.949	70	20	CFID	
O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C=CC[C@H]1CC2	218761863	XQOMJTQNUNTKQO-RYUDHWBXSA-N	283.780	2.822	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)NC(C)(C)C	160279745	UISCSYMLGWMSLF-LBPRGKRZSA-N	262.353	2.780	70	20	CFID	
CC(C)[C@H]1CN(CCS(=O)(=O)F)c2ccccc21	883954510	PVUJHERPOWNVHW-GFCCVEGCSA-N	271.357	2.546	70	20	CFID	
CCN(CCNCc1cccc2c1NCCC2)C1CC1	217437161	YORHLJGMVIXUCV-UHFFFAOYSA-N	273.424	2.619	70	20	CFID	
CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(OC)c(N)c1	161075418	UBIAVTQKPGHKMW-CQSZACIVSA-N	292.379	2.954	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)N1CCOCC12CCC2	161184566	RTJFNXXCCKTRQS-LLVKDONJSA-N	292.379	2.567	70	20	CFID	
C[C@H](O)CN(C)C(=O)Cc1csc2ccc(Cl)cc12	160097950	CHUMONOWSJZQRN-VIFPVBQESA-N	297.807	2.936	70	20	CFID	
COc1cc(Oc2ccccc2)ccc1N[C@@H](C)C(N)=O	160313737	RBMCJHQRUDNOMB-NSHDSACASA-N	286.331	2.773	70	20	CFID	
COc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)cc1F	160569259	QIBZWZGZHZNYBT-PWSUYJOCSA-N	296.342	2.602	70	20	CFID	
COc1ncc(C)cc1NCc1ccccc1NC(C)=O	160649877	PAGZHXIMGKDQDF-UHFFFAOYSA-N	285.347	2.969	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(CSC)cc1	160665906	YNGIFXIQGNVERB-LLVKDONJSA-N	295.404	2.621	70	20	CFID	
C[C@@H](NC(=O)C1CCC(C)(C)CC1)[C@H]1CCOC1	160689982	ACXXSCCWKJBXIL-YPMHNXCESA-N	253.386	2.744	70	20	CFID	
CCCCc1nnc(NC(=O)C[C@H](C)SC)s1	160751034	VOKUINUTYMTMLV-QMMMGPOBSA-N	273.427	2.961	70	20	CFID	
COCc1noc(Cc2cccc(OC(F)(F)F)c2)n1	160968151	RQTKHBSQGSWJFP-UHFFFAOYSA-N	288.225	2.705	70	20	CFID	
CCO[C@@H](CC)C(=O)NC1CCC(OC(C)C)CC1	159423315	HSFLUSRYYXQNQL-RUXDESIVSA-N	271.401	2.654	70	20	CFID	
CC[C@@H](C(=O)Nc1c[nH]c(=O)c(C)c1)c1ccccc1	159620399	AOUWEXZQRPTGMK-CQSZACIVSA-N	270.332	2.816	70	20	CFID	
CCc1nc(CN(C)C2(C(=O)OC)CCCC2)cs1	159395311	KRTQHICSXSVRHZ-UHFFFAOYSA-N	282.409	2.623	70	20	CFID	
CC[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)OC	159491378	GTNSEWWCJJHCEJ-CABZTGNLSA-N	287.306	2.890	70	20	CFID	
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)C(C)C	159758019	ONYWVRCHXAKJLW-HZSPNIEDSA-N	281.396	2.517	70	20	CFID	
Cc1nc2scc(C)n2c1CNCC1(CO)CCCC1	160102151	WFPSLWALJDIOPM-UHFFFAOYSA-N	293.436	2.655	70	20	CFID	
CCCn1nccc1CNCCOc1cccc(C)c1	160121950	WVLYETRQCRGKJW-UHFFFAOYSA-N	273.380	2.770	70	20	CFID	
C[C@H](C1CC1)N(Cc1ccccc1)Cc1nncn1C	160778872	WEXBJXAZPPZMCJ-CYBMUJFWSA-N	270.380	2.616	70	20	CFID	
CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCOC(C)(C)C2)C1	160530179	HFDOBPONRZMDLP-QWHCGFSZSA-N	298.427	2.543	70	20	CFID	
CCOc1ccc(NCc2nnc3n2CCCC3)cc1	217317412	CDVZTLDVQJWHQV-UHFFFAOYSA-N	272.352	2.625	70	20	CFID	
COc1ccc([C@H](C)N[C@@H]2CCN3CCCC[C@@H]23)cc1	217682377	GQYPIUBPCBWKER-XKQJLSEDSA-N	274.408	2.973	70	20	CFID	
CCc1ncnc(N2CCc3ccsc3C2)c1F	161023352	FBNOGQWWGFFZTJ-UHFFFAOYSA-N	263.341	2.802	70	20	CFID	
COc1ccc(C)cc1NC1CCC(NC(C)=O)CC1	161125898	FHUMNHALRAGUFW-UHFFFAOYSA-N	276.380	2.863	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1	161129124	BLUWUJLYKSFTQZ-DLBZAZTESA-N	282.387	2.768	70	20	CFID	
CC(C)C[C@H]1CCCCCN1C(=O)[C@@H]1CCCNC1	161298748	SKSNOFATZIMHTA-HUUCEWRRSA-N	266.429	2.803	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1nnc(C(C)(C)C)s1	160371522	WPZTZMVRWJOAOY-QMMMGPOBSA-N	271.386	2.589	70	20	CFID	
CCCCCCC(=O)N1CCCN(CCC)CC1	160404965	WIQNXFUMGGHODQ-UHFFFAOYSA-N	254.418	2.901	70	20	CFID	
Cc1ccc(CN(C(=O)CNCC2CC2)C2CC2)cc1C	160549792	PJCQVIFFUVSJAR-UHFFFAOYSA-N	286.419	2.794	70	20	CFID	
CCC(N)(CC)CNC(=O)CCOc1cccc(C)c1C	160550926	UMZBJSJUPFQHTF-UHFFFAOYSA-N	292.423	2.706	70	20	CFID	
CCc1cc(O)nc(CN(CC)Cc2cccc(F)c2)n1	160563034	QGFBOUKLSXAVFM-UHFFFAOYSA-N	289.354	2.906	70	20	CFID	
CC[C@H](NCCCCN1CCC[C@@H]1CO)c1ccccc1	160685535	BFBSDHOHMTUBBF-MSOLQXFVSA-N	290.451	2.964	70	20	CFID	
CCOc1ccc(CC(=O)NCC2(C3CC3)CC2)cc1	159923660	SNHPYEKIUQTGTE-UHFFFAOYSA-N	273.376	2.934	70	20	CFID	
CC[C@H](C(=O)N(C)CCn1cccn1)c1ccc(F)cc1	159950889	BTNPDTYRUJBSSD-HNNXBMFYSA-N	289.354	2.674	70	20	CFID	
CN(C)C1(CNc2nnc(C(F)(F)F)s2)CCCC1	160156505	FGTQBQXCRODHDC-UHFFFAOYSA-N	294.346	2.843	70	20	CFID	
CC(C)(C)C[C@H](CO)Nc1ncnc2sccc12	161436275	IRAHRRXYXUMHGJ-SECBINFHSA-N	265.382	2.900	70	20	CFID	
O=S(=O)(F)Oc1ccc(NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1	1887497550	PUTUUPUGRBLEDU-SDDRHHMPSA-N	297.351	2.904	70	20	CFID	
COc1ccc(NC(=O)c2csc(C3CC3)n2)cc1N	161065847	LKMAEKZEDKHUKL-UHFFFAOYSA-N	289.360	2.864	70	20	CFID	
Fc1cccc(F)c1NCc1nnc2n1CCCC2	217317903	SZCNKZZFIIBVRK-UHFFFAOYSA-N	264.279	2.505	70	20	CFID	
CCc1ncnc(NC[C@@H](C)CN2CCCCC2)c1F	217982164	OQOBOTKMQGGLFB-GFCCVEGCSA-N	280.391	2.712	70	20	CFID	
CCOCCC1(CNC(=O)N2CC[C@H](CC)C2)CC1	161350698	RVMNTWCHVXXMAO-ZDUSSCGKSA-N	268.401	2.635	70	20	CFID	
CCNC(=O)c1ccc(NC(=O)C[C@H](C)SC)c(C)c1	160488156	DJLQVINURFKQKH-NSHDSACASA-N	294.420	2.825	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H](C)c1cccc(F)c1	160584321	GUPRMRNTNXOFBD-NEPJUHHUSA-N	295.354	2.777	70	20	CFID	
CCn1cc(C(=O)Nc2cccc(OCCF)c2)cn1	160652577	FFYWGZOEDCYXQN-UHFFFAOYSA-N	277.299	2.504	70	20	CFID	
Cc1cccc(F)c1NC(=O)NCC(F)(F)F	160840912	IVQMSDWQPHXRJW-UHFFFAOYSA-N	250.195	2.818	70	20	CFID	
CC[C@@H](COC)NC[C@@H](C)N1CCc2sccc2C1	159878299	KMXBVUXRINMWAI-OCCSQVGLSA-N	282.453	2.509	70	20	CFID	
Cc1cc(C)c(CNC(=O)[C@@H]2CCn3ccnc3C2)c(C)c1	159405541	DWZGNUKGCLFGSI-OAHLLOKOSA-N	297.402	2.687	70	20	CFID	
COC[C@@H](NC[C@H](C)N1CCc2sccc2C1)C(C)C	159872492	KMEQBAUXIDTFGK-DZGCQCFKSA-N	296.480	2.755	70	20	CFID	
Cc1cc(F)c(C(=O)NCC2(N)CCCCC2)cc1F	159480792	HMUXLSCHCRXRSF-UHFFFAOYSA-N	282.334	2.665	70	20	CFID	
CCOc1ccccc1CNC(=O)NC1(C)CCC1	159892392	SQEKZMPVCCLQBF-UHFFFAOYSA-N	262.353	2.827	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCCC2	159800409	PIVAHXISPPSTHY-ZYHUDNBSSA-N	261.369	2.597	70	20	CFID	
O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCCCO1	160233065	WTNRQRPEPOICSX-NSHDSACASA-N	289.253	2.919	70	20	CFID	
Cc1c(CN[C@H](C)Cc2ccccc2F)cnn1C	160755772	ODJIXDITUNSDSV-LLVKDONJSA-N	261.344	2.588	70	20	CFID	
CCC(CC)(COC(C)C)CS(=O)(=O)Cl	114473723	SMHKKSNOWUHKII-UHFFFAOYSA-N	256.795	2.786	70	20	CFID	
C[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864238056	BMSDCPQBSQQFKA-CMPLNLGQSA-N	299.367	2.653	70	20	CFID	
O=S(=O)(Cl)CCc1c(F)cccc1Cl	103906842	ADPOIAHRCUYHGN-UHFFFAOYSA-N	257.113	2.590	70	20	CFID	
COc1cccc(CCN[C@@H](C)C(=O)OC(C)(C)C)c1	217768518	FNOSCHFDDKZJQQ-LBPRGKRZSA-N	279.380	2.558	70	20	CFID	
C[C@H]1Sc2ccccc2N(CC(=O)N(C)C2CC2)[C@@H]1C	161261145	UXAXFFUUENEMSG-VXGBXAGGSA-N	290.432	2.997	70	20	CFID	
CNC[C@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2o1	161300139	FVZWBGZIDIUXNP-GFCCVEGCSA-N	292.766	2.910	70	20	CFID	
CCOc1ccc(NC(=O)N[C@]2(C)CCOC2)c(C)c1	161432371	JFWGAMVEKNUNOY-OAHLLOKOSA-N	278.352	2.694	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1C[C@H](C)CCC[C@@H]1C	160080857	NAPZUFHWWIGNGW-KGLIPLIRSA-N	298.427	2.938	70	20	CFID	
CCOCCCC(=O)OCc1nc(C)sc1C	160219277	ZOSQMASWFSXBFW-UHFFFAOYSA-N	257.355	2.620	70	20	CFID	
CC(C)OCCS(=O)(=O)c1ncc(C(C)(C)C)s1	160327492	NQJFJZGPTPOHKC-UHFFFAOYSA-N	291.438	2.639	70	20	CFID	
CCC(CC)n1nccc1C(=O)N(C)Cc1cccnc1	160544627	KIHSXJANHJCWCE-UHFFFAOYSA-N	286.379	2.911	70	20	CFID	
CC[C@H](O)CCNC(=O)NCCCSc1ccccc1	160683941	GFBOKKOGUVFBJF-ZDUSSCGKSA-N	296.436	2.629	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H](COC)c2ccco2)o1	160687648	HKCOBWLEPGIWSD-VFNNOXKTSA-N	289.331	2.952	70	20	CFID	
CCCC1(CNC(=O)c2cc3c([nH]c2=O)CCCC3)CC1	160724672	SEWAJNOVXREPGN-UHFFFAOYSA-N	288.391	2.564	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(O)nc1C	159816883	RDVQQHLEYDZVMB-YPMHNXCESA-N	262.353	2.794	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CCc1ccccn1	159988791	WDBLQSIEMMKIPC-MRXNPFEDSA-N	296.370	2.827	70	20	CFID	
CCCCOCCCN[C@@H]1CCOC2(CCOCC2)C1	160284864	QQZFKDILAZEVRA-OAHLLOKOSA-N	285.428	2.511	70	20	CFID	
CCO[C@H]1C[C@H](NCC2(N(C)C)CCCC2)C12CCC2	160685983	DIZIAYMVQKQBDX-GJZGRUSLSA-N	280.456	2.798	70	20	CFID	
O=C(C1CC1)N1CCOc2ccc(Br)cc21	217244094	FLJCSSJHRNTTQO-UHFFFAOYSA-N	282.137	2.585	70	20	CFID	
Cc1cc2ncn(Cc3nnc4n3CCCC4)c2cc1C	217323142	KJHQRGFOSBAHDN-UHFFFAOYSA-N	281.363	2.629	70	20	CFID	
Cc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1	217274497	VYMYTJOKQJWBNK-UHFFFAOYSA-N	297.280	2.640	70	20	CFID	
CC(=O)[C@@H]1C[C@H](CC(=O)NC2CCCC2)C1(C)C	218439398	GNBHFPDNJSOFCT-YPMHNXCESA-N	251.370	2.687	70	20	CFID	
CC[C@H](NC(=O)[C@@H]1CCCNC1)c1ccc(F)cc1F	161209363	XAOXASBLRAAMDW-YGRLFVJLSA-N	282.334	2.532	70	20	CFID	
Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCc3[nH]ncc3C2)cc1	161346229	QTGDERMONREMLB-DOMZBBRYSA-N	298.390	2.636	70	20	CFID	
CC[C@@H](C(=O)NCc1cnn(C)c1C)c1ccc(F)cc1	161414525	IGSCJBLQCJDIGN-OAHLLOKOSA-N	289.354	2.678	70	20	CFID	
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cccnc1	160154610	SWDDFDSIMLDVCU-XJKSGUPXSA-N	287.407	2.666	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@H](CC)c1c(C)noc1C	160216246	KMZVHWBDUONOQQ-JOYOIKCWSA-N	268.357	2.674	70	20	CFID	
c1nc2c(c(N[C@@H]3CCO[C@@H](C4CC4)C3)n1)CCCC2	160418836	HNRMVVSORDTYLS-IUODEOHRSA-N	273.380	2.725	70	20	CFID	
CC(C)N(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CC1	160473834	IZZSHXYKJPODII-TZMCWYRMSA-N	266.385	2.526	70	20	CFID	
C[C@@H](N(C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1(C)CC1	160620392	CRCNZPKUWDNPOR-BNOWGMLFSA-N	280.412	2.774	70	20	CFID	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NC[C@@H](C)SC	160645762	DBLWCOLBFKKVQM-UTUOFQBUSA-N	288.457	2.631	70	20	CFID	
CN(Cc1cccn1C)C(=O)Cc1ccc(Cl)cc1	160837245	RYSSKMJGQJDRGF-UHFFFAOYSA-N	276.767	2.880	70	20	CFID	
CCCN(CCC)C(=O)CCCC(=O)NC1CC=CC1	160845165	WSFHATIZDWJKQO-UHFFFAOYSA-N	280.412	2.640	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@H]1CCCN1	159446182	HPGXZKHFFMBUMQ-IUODEOHRSA-N	294.826	2.872	70	20	CFID	
CCC(CC)n1ncc(C(=O)NCc2nccs2)c1C	159704455	XPWKOSZUNUVJJS-UHFFFAOYSA-N	292.408	2.939	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CCOC(C)C	159957422	NLVNTYBYFLCYKX-CQSZACIVSA-N	277.364	2.614	70	20	CFID	
CCc1cc(O)nc(CN(C)Cc2ccc(C)cc2)n1	160522593	VXQJXYFBCDFWKV-UHFFFAOYSA-N	271.364	2.685	70	20	CFID	
O=S(=O)(F)CCc1ccc(C(F)(F)F)cc1	259567336	YJNYAVXNNFPQAA-UHFFFAOYSA-N	256.220	2.547	70	20	CFID	
CC(C)c1ccc(N(C)C(=O)C[C@H]2CCCN2)cc1	161461188	RTKCJAKGLINVLA-CQSZACIVSA-N	260.381	2.915	70	20	CFID	
c1ccc2c(c1)ccn2Cc1nnc2n1CCCC2	217323109	FMTHIHSFYWNBOO-UHFFFAOYSA-N	252.321	2.617	70	20	CFID	
COc1c(CNC[C@@H]2CCC[C@@H](C)C2)c(C)nn1C	218238006	TWZKONKHZPJMSC-DGCLKSJQSA-N	265.401	2.653	70	20	CFID	
CC[C@H]1CCCC[C@H]1NC(=O)NOCc1cccnc1	161102160	HGKCRCBBPTZRHS-UONOGXRCSA-N	277.368	2.781	70	20	CFID	
COc1ccc(NC(=O)CSCCC(C)C)cc1N	161279712	CCURSSBPSVEKDL-UHFFFAOYSA-N	282.409	2.995	70	20	CFID	
C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccco1	160223593	XKPGSONTIPYUOF-ZJUUUORDSA-N	262.275	2.567	70	20	CFID	
CC(C)c1ccc(CCCNC(=O)N[C@H](C)CCO)cc1	160245645	IMNBMNCHVHGDGW-CQSZACIVSA-N	292.423	2.813	70	20	CFID	
CCC(N)(CC)CNC(=O)c1sccc1SC	160420885	WEAUXKDWJCBIRD-UHFFFAOYSA-N	272.439	2.717	70	20	CFID	
CCn1nccc1/C=C/C(=O)NCCCSCC(C)C	160783380	LCKCNIHKMJWEIH-VOTSOKGWSA-N	295.452	2.812	70	20	CFID	
O=C(Cc1ccc2c(c1)CCCC2)NOCc1cccnc1	160811114	FIXUTHMSSXDYBU-UHFFFAOYSA-N	296.370	2.751	70	20	CFID	
Cc1cccc(-c2nnc(SCCn3ccnc3)n2C)c1	159702752	FRVZUJMZFYVSSV-UHFFFAOYSA-N	299.403	2.779	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1	161393053	IHSJYNHIQMSXLB-VXGBXAGGSA-N	286.297	2.705	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCC[C@H](N(C)C)C1	161491391	IIAWEDPWXUIRFK-NEPJUHHUSA-N	295.814	2.646	70	20	CFID	
CCOCc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1	161143882	YVUVSTVDWOFQMU-AWEZNQCLSA-N	299.374	2.621	70	20	CFID	
CC(C)[C@@H](O)CC(=O)NC[C@@H](C)c1ccc(F)cc1F	161409095	YSMGSIJRLJFSKC-YGRLFVJLSA-N	285.334	2.592	70	20	CFID	
O=C(CC1CCSCC1)NCCc1cccc(O)c1	160314749	DCUJWTZRSGLSSQ-UHFFFAOYSA-N	279.405	2.584	70	20	CFID	
COc1cc(C(=O)Nc2ccc(C)cc2)cc(OC)c1O	160709348	LIFBLKACBZVLQT-UHFFFAOYSA-N	287.315	2.970	70	20	CFID	
CC(C)N(C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	160749817	KDMNHXQHFHEVAV-LSDHHAIUSA-N	276.380	2.957	70	20	CFID	
Cc1cc(NC(=O)c2cc(C)n(C(C)C)c2C)c[nH]c1=O	159604093	DPKZCCSJVCAHFQ-UHFFFAOYSA-N	287.363	2.935	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)Nc2ccc(NC(N)=O)cc2)C1	159483406	XEBRMLHLTWHTEW-WDEREUQCSA-N	275.352	2.942	70	20	CFID	
CCOC(=O)C1(C(=O)Nc2cccc(OCC)c2)CCC1	159686330	JJWVMDQHQQXSIE-UHFFFAOYSA-N	291.347	2.757	70	20	CFID	
CCc1ccc(OCC(=O)NCC2(C3CC3)CC2)cc1	159697369	RFNMSLJLQMJPPC-UHFFFAOYSA-N	273.376	2.934	70	20	CFID	
COC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C(C)C)C1CC1	159371581	UCPYOWOJENFMIJ-ILXRZTDVSA-N	282.428	2.925	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C(C)C	159596783	QJDQYFWSHDUCDD-ZIAGYGMSSA-N	269.433	2.547	70	20	CFID	
Cc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)cc1Cl	161111810	ZLVWFBMFZTXROY-RYUDHWBXSA-N	266.772	2.648	70	20	CFID	
CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	161395120	AXSIILLTXPJCAB-HUUCEWRRSA-N	260.381	2.810	70	20	CFID	
C[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C(C)(C)C	809280971	CVOPMFXBRCCZBK-SECBINFHSA-N	287.356	2.966	70	20	CFID	
C[C@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241968	RASKCOSEBIKURW-WDEREUQCSA-N	299.367	2.511	70	20	CFID	
O=S(=O)(Cl)c1ccc(OC[C@H]2CCCCO2)cc1	59364054	AJNILXDSSHBYAB-LLVKDONJSA-N	290.768	2.562	70	20	CFID	
CCOc1ccc(CNCCN(C)[C@@H](C)CC)cc1	217385927	QTBPZDWGEGIULR-AWEZNQCLSA-N	264.413	2.905	70	20	CFID	
CCC(CC)(CN)C(=O)N1CCc2c(Cl)cccc2C1	161217718	XZYUUYJLZBQLEK-UHFFFAOYSA-N	294.826	2.990	70	20	CFID	
Cc1cc2occ(CC(=O)N[C@@H]3CCC[C@H]3O)c2cc1C	161258756	HPBYNGKBPSVHHA-HUUCEWRRSA-N	287.359	2.622	70	20	CFID	
C1CCN(CCCN2CCC[C@H]2CN2CCCCC2)CC1	161323895	XZICHJAVEQFJMJ-SFHVURJKSA-N	293.499	2.813	70	20	CFID	
CCO[C@@H](C)c1nccn1Cc1nc(C)cs1	161483586	LYDQCOGKSUJVIK-JTQLQIEISA-N	251.355	2.794	70	20	CFID	
CCCN(CCc1cccc(F)c1)C(=O)C1CCNCC1	160096272	KTBVLMUNDSDQHY-UHFFFAOYSA-N	292.398	2.606	70	20	CFID	
CC1(C)C[C@H](NCc2c[nH]nc2C(C)(C)C)CCO1	160555606	TZEUEFUHBJGBGM-GFCCVEGCSA-N	265.401	2.754	70	20	CFID	
CCO[C@@H](CC)C(=O)NCCCSCC(C)C	160682052	KWIINNFSQAEUCU-LBPRGKRZSA-N	261.431	2.697	70	20	CFID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1cccnc1	160700138	IBGNMXUUAJVYMI-SNVBAGLBSA-N	274.345	2.534	70	20	CFID	
CCc1ccc([C@H](C)NCCCCN2CCC[C@@H]2CO)o1	160769158	RQNWZNRUMJBZNJ-LSDHHAIUSA-N	294.439	2.730	70	20	CFID	
CCCC[C@H](NC(=O)CCNC(C)C)C1CCC1	160779924	IPUCFTDZKAFJIA-AWEZNQCLSA-N	254.418	2.850	70	20	CFID	
CCN(CC)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160824843	YLINVGQGAJSYMX-UHFFFAOYSA-N	289.379	2.859	70	20	CFID	
CC[C@@H](C)N(C)C(=O)NC[C@@H]1CCCCN1CC(C)C	160968237	KZLMKNUICDEPDP-CABCVRRESA-N	283.460	2.937	70	20	CFID	
CCc1ccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)cc1	159642042	IVFXJEFQJCQBSQ-LBPRGKRZSA-N	286.379	2.730	70	20	CFID	
CCC(=O)N[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159646919	GRYAHIFABITAIZ-CQSZACIVSA-N	294.439	2.720	70	20	CFID	
Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCSC2)c(C)c1	159456052	IGGIDLCLDSTFLL-CYBMUJFWSA-N	299.461	2.738	70	20	CFID	
Cc1cccc2c(CCNC(=O)C3(N)CCCCC3)c[nH]c12	159560693	GGLNQANSNUSBHO-UHFFFAOYSA-N	299.418	2.797	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)OCC1CC1	159980394	HVSFOXFOAPATAO-ABAIWWIYSA-N	289.375	2.614	70	20	CFID	
O=C([C@H]1CCCS1)N1CCc2c(F)cccc2C1	161015294	MDPUPSFKJVOSSQ-CYBMUJFWSA-N	265.353	2.606	70	20	CFID	
Cc1cc(NC(=O)N2CCOC3(CCC3)C2)ccc1F	161250918	VXYQNFBXQAQBMB-UHFFFAOYSA-N	278.327	2.921	70	20	CFID	
CCOc1ccc(NC(=O)CCSCCOC)cc1	161261866	JVCRJHBXFZWHMZ-UHFFFAOYSA-N	283.393	2.794	70	20	CFID	
Cc1cc(NC[C@H]2CCCN(CC(C)C)C2)ncn1	161313002	GARVMASXXOAAGK-CQSZACIVSA-N	262.401	2.565	70	20	CFID	
O=C(NCC1(C2CC2)CCC1)c1cccc(-n2ccnn2)c1	161350824	JBSQKRRXSBLIOA-UHFFFAOYSA-N	296.374	2.577	70	20	CFID	
CCN(Cc1ccccn1)Cc1cnc2ccccn12	161437804	MUTRWFMMERXMNB-UHFFFAOYSA-N	266.348	2.751	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CC[C@@H](C)C[C@@H](C)C1	160067416	XWXYDVGTWPEVKV-ZIAGYGMSSA-N	298.427	2.796	70	20	CFID	
CCCOc1ccc(OCCN(C)[C@H](CN)C2CC2)cc1	160080587	RFIFUWIYYUQKIP-QGZVFWFLSA-N	292.423	2.523	70	20	CFID	
Cc1nnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)s1	160214495	BOVKWURUPULDSO-FZMZJTMJSA-N	288.420	2.779	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccoc3C)[nH]2)o1	160225903	VJEAAWKJKNXCOP-UHFFFAOYSA-N	272.264	2.527	70	20	CFID	
Cc1nc(O)ccc1C(=O)N1CCC[C@@H]1C1CCCC1	160260663	YIGYBNSPPXSYRM-CQSZACIVSA-N	274.364	2.890	70	20	CFID	
Cc1cccc(-n2cc(C(=O)Nc3cc(C)ccn3)nn2)c1	160335911	QDLVOWCTKIMHQF-UHFFFAOYSA-N	293.330	2.531	70	20	CFID	
Cc1ocnc1C(=O)O[C@H](c1ccccn1)C(F)(F)F	160351483	QOKPKIMORMGNBQ-SNVBAGLBSA-N	286.209	2.838	70	20	CFID	
Cc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(C)c1	160489741	ZYZAXDOLXGWWNV-DZGCQCFKSA-N	284.407	2.869	70	20	CFID	
NC(=O)CC1CCN(Cc2cc3cc(F)ccc3o2)CC1	159728231	YBBGIXKYLRHCLW-UHFFFAOYSA-N	290.338	2.659	70	20	CFID	
CN(C)c1cccc(C(=O)N[C@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	159548413	SHYXCDPNTMPWFD-BZSNNMDCSA-N	292.382	2.821	70	20	CFID	
Cc1ccc2oc(C(=O)N(C)[C@@H](CN)C3CC3)cc2c1	159840379	FLGODIQCHJDIKN-ZDUSSCGKSA-N	272.348	2.551	70	20	CFID	
CCN(CCCO)C(=O)[C@H](C)Oc1ccc(Cl)cc1C	160456800	OPXRJKUPNIFKSC-LBPRGKRZSA-N	299.798	2.647	70	20	CFID	
CC(C)c1ccc(OCCS(=O)(=O)Cl)cc1	103977156	CSEYLRSWLLYPLM-UHFFFAOYSA-N	262.758	2.757	70	20	CFID	
CC(C)(C)OC1CCN(C(=O)c2ccccc2O)CC1	160948314	BCKWIMIDRVPNTL-UHFFFAOYSA-N	277.364	2.812	70	20	CFID	
CC1(C)CC(CNC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864241520	WAJZEIRUOSOWIQ-UHFFFAOYSA-N	299.367	2.511	70	20	CFID	
CCCCn1ncc(C(=O)Nc2ccccn2)c1C	161202712	GLPHDBNZXOVBOY-UHFFFAOYSA-N	258.325	2.639	70	20	CFID	
CNC[C@@H]1CCCN1C(=O)/C=C/c1ccccc1Cl	161248840	CWYVJVMAYBGNNA-XEHSLEBBSA-N	278.783	2.564	70	20	CFID	
COc1cc(C(=O)N[C@H]2CCC[C@H](C)C2)cc(OC)c1O	161411682	SJILLBNCOHVYKR-JQWIXIFHSA-N	293.363	2.718	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3)[nH]2)o1	160381373	WVPNPZGHTRWAMV-UHFFFAOYSA-N	296.330	2.944	70	20	CFID	
Cc1cc(CC(=O)N[C@@H]2CCCc3sccc32)no1	160412411	GVRPUZIEHOPDIE-GFCCVEGCSA-N	276.361	2.781	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H]1CCCc3sccc31)CC2	160493506	PUEWRNHZNFWYFO-AAEUAGOBSA-N	288.420	2.630	70	20	CFID	
CC[C@@H](NC(=O)CC[C@H]1CCCO1)c1c(C)noc1C	160595525	GCECGGUFYWOHIK-CHWSQXEVSA-N	280.368	2.818	70	20	CFID	
COCC[C@H](C)NCc1nnc(-c2ccccc2)s1	160738859	MPXDUEZVDSNLJV-NSHDSACASA-N	277.393	2.720	70	20	CFID	
COc1cc(Cl)ccc1C(=O)Nc1c[nH]c(=O)c(C)c1	159454013	YCCHDGUAIPFTIN-UHFFFAOYSA-N	292.722	2.598	70	20	CFID	
CCCN(CC)CCNC(=O)CCc1ccc(F)cc1F	159914776	SKDTZXJPMAUUQX-UHFFFAOYSA-N	298.377	2.746	70	20	CFID	
CC[C@H](NC[C@@H](C)N1CCc2ccccc21)[C@H]1CCOC1	159932286	JQARSRYYFURQFO-PVAVHDDUSA-N	288.435	2.842	70	20	CFID	
CC(C)C[C@H](C)OCCC(=O)N[C@H](CO)CC(C)(C)C	159943604	MUKNWHLJBXFMAF-KBPBESRZSA-N	287.444	2.741	70	20	CFID	
Cc1nn(C)cc1CNCCCCc1ccccc1	160140014	BYILTHTXEYENRS-UHFFFAOYSA-N	257.381	2.841	70	20	CFID	
CC(C)OCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1	217922751	KGHOHSJZXDNQST-HZPDHXFCSA-N	291.391	2.502	70	20	CFID	
CC[C@H](C)[C@@H](O)CNC(=O)c1cc(F)c(Cl)cc1F	160040639	IRJGKNLHXCTXAG-MADCSZMMSA-N	291.725	2.755	70	20	CFID	
C[C@@H]1CCC[C@@](CN[C@H](C)c2cnn(C)c2)(N(C)C)C1	217458320	MIBUEBPPMPDQPD-IIAWOOMASA-N	278.444	2.581	70	20	CFID	
CCC(CC)(CN)C(=O)NC[C@@H](C)Oc1ccc(C)cc1	161179734	VCQSJNWKAWSNBA-CQSZACIVSA-N	292.423	2.644	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)NCC1(C2CC2)CC1	160060922	YJWQPOWWDCWFMY-UHFFFAOYSA-N	281.787	2.556	70	20	CFID	
NC[C@H]1CCCN1C(=O)/C=C/c1c(Cl)cccc1Cl	160222829	GXXKRSKJYZOMEO-VQCYPWCPSA-N	299.201	2.956	70	20	CFID	
CC[C@@H](C)OCC(=O)NCCCc1ccc(OC)cc1	160313334	RGGALDCUMOSWSV-CYBMUJFWSA-N	279.380	2.559	70	20	CFID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	160503173	FDBITHGEGZCQAD-QWHCGFSZSA-N	296.361	2.702	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)Nc1nc(C)c(C)s1	160847960	LHNKUZJZSDMOOE-UHFFFAOYSA-N	298.799	2.962	70	20	CFID	
CN(Cc1cccn1C)C(=O)C1(c2ccccc2F)CC1	160907657	JIXNKXYXYQOZJQ-UHFFFAOYSA-N	286.350	2.854	70	20	CFID	
O=C(Nc1ccnn1-c1ccc(Cl)cc1)[C@@H]1CCCO1	159668253	VFBFTISMIDEDHE-LBPRGKRZSA-N	291.738	2.643	70	20	CFID	
CCCNC(=O)c1cnn(-c2cc(C)ccc2C)c1C	159592283	IQKVEPYBNUDDOY-UHFFFAOYSA-N	271.364	2.937	70	20	CFID	
CC(C)c1ccc(N(C)C(=O)[C@@H]2CCCCN2)cc1	161458702	ANFUNKAAIZLLET-HNNXBMFYSA-N	260.381	2.915	70	20	CFID	
C[C@H]1[C@@H](C)SCCN1C(=O)c1cccc2[nH]cnc12	159602043	JBJNTJDQVJEYEM-VHSXEESVSA-N	275.377	2.529	70	20	CFID	
CC(C)OCCCNC(=O)NCCCOc1ccccc1	217299735	XWKSODJRGGASDA-UHFFFAOYSA-N	294.395	2.570	70	20	CFID	
COCCCCNc1ccncc1Br	159835460	JNNMWKCNCBWBLZ-UHFFFAOYSA-N	259.147	2.683	70	20	CFID	
O=S(=O)(Cl)c1c(F)c(F)c2cccnc2c1F	97971469	SJVWPXJYUJLAHL-UHFFFAOYSA-N	281.642	2.580	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1CO)c1cc(F)c(F)cc1Cl	217877686	WLWDFFJGKWKOKX-MADCSZMMSA-N	289.709	2.509	70	20	CFID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc(C)cn1	161018043	ZGQPWYRLOBYLFW-TZMCWYRMSA-N	261.369	2.826	70	20	CFID	
C[C@@H](CCO)CNC(=O)/C=C/c1cccc2ccccc12	161049740	YOQFTCCMMBUDEZ-HBWSCVEGSA-N	283.371	2.988	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@H](C)CCc1cccn1C	161507821	AHDBDBCGQHFRES-CYBMUJFWSA-N	288.395	2.554	70	20	CFID	
Cc1nn(C)c(C)c1[C@H](OC(=O)C(C)C)C(F)(F)F	160165147	NCGNIGXKNXZGSO-JTQLQIEISA-N	278.274	2.840	70	20	CFID	
CC1(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1	160228066	RSBZJEZQIWLGGW-UHFFFAOYSA-N	253.305	2.882	70	20	CFID	
CC[C@H](COC)NC(=O)[C@H](CC)c1ccc(F)cc1	160280087	MAGSPHRCONUJES-ZIAGYGMSSA-N	267.344	2.861	70	20	CFID	
CNC(=O)c1ccc(OC)c(NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1	160275234	FLYXPXLCVGHQOR-MBNYWOFBSA-N	286.375	2.679	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)CCc1ccsc1	160481272	GTRBWZDJEIVJAL-OAHLLOKOSA-N	294.464	2.917	70	20	CFID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccnc1	160647923	OWRGJSCUWJWDJB-UONOGXRCSA-N	286.400	2.914	70	20	CFID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(N(C)C)cc1	160917134	FWBZXXHRLVTFRI-IAQYHMDHSA-N	274.364	2.696	70	20	CFID	
CC[C@H](C)OCC(=O)NC[C@@H](CC)Oc1ccccc1F	160921709	XTDHMFXFFDCAIN-QWHCGFSZSA-N	297.370	2.914	70	20	CFID	
COCCOc1cccc(NC(=O)[C@@H]2CC2(C)C)c1	159419690	QRWYRIBJUPWLID-ZDUSSCGKSA-N	263.337	2.696	70	20	CFID	
CCC(=O)N1CCCN(CCC2CCCC2)CC1	159467727	NCCSQXBQONGRJT-UHFFFAOYSA-N	252.402	2.511	70	20	CFID	
COc1ccc(N(C)C(=O)[C@H](C)SC)cc1F	159692846	LQRXNRBOGAEYMQ-QMMMGPOBSA-N	257.330	2.549	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cc(-c2ccco2)[nH]n1	159927962	OBDXSCPXZNIKOQ-UHFFFAOYSA-N	271.320	2.590	70	20	CFID	
CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@H](CC(N)=O)C1	159950469	UGHBKGXTDUGHJA-KGLIPLIRSA-N	294.439	2.707	70	20	CFID	
COc1ccccc1OCCC(=O)NCC1(C2CC2)CC1	159777740	RQMGKXCMCBKLQB-UHFFFAOYSA-N	289.375	2.771	70	20	CFID	
C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1)c1cccs1	160731199	ZMJKIEOVPCWRHG-RNJOBUHISA-N	278.421	2.846	70	20	CFID	
O=S(=O)(Cl)c1c(Cl)ccc(Cl)c1O	238852558	GNENQJMFGIEEAT-UHFFFAOYSA-N	261.513	2.627	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1	161124896	NMIKENYWLHQQQU-RLAHGTIISA-N	289.375	2.929	70	20	CFID	
CC(C)C[C@H](N)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1	161402893	FESLBNGERRIKFR-RISCZKNCSA-N	298.814	2.597	70	20	CFID	
COc1ccnc(NC(=O)c2ccnc(OC3CCC3)c2)c1	161421196	WJRMAIZDINKGDH-UHFFFAOYSA-N	299.330	2.669	70	20	CFID	
CCc1nnsc1C(=O)N1CCc2c(Cl)cccc21	161454544	SOTRZGPIUMYDNF-UHFFFAOYSA-N	293.779	2.957	70	20	CFID	
CCc1nn(C)c(Cl)c1C(=O)NCC1(C2CC2)CCC1	160000890	AMIHZMZMHLDLOL-UHFFFAOYSA-N	295.814	2.946	70	20	CFID	
O=C(NCCc1cccc(O)c1)[C@@H]1C[C@H]1c1ccc(F)cc1	160137468	XIKREGRAHQAMMO-DLBZAZTESA-N	299.345	2.994	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1cccc2cccnc12	160299614	OZYBKSAVBJOQSO-UHFFFAOYSA-N	284.359	2.517	70	20	CFID	
CC(C)Cc1ccc(CC(=O)N[C@@H](CCO)C(C)C)cc1	160453510	VKLKWVZNEAENAN-KRWDZBQOSA-N	291.435	2.951	70	20	CFID	
CC[C@H](C)c1cc(C(=O)N2CCCSCC2)on1	160774929	RIMROOCQMXVGHG-JTQLQIEISA-N	268.382	2.767	70	20	CFID	
Cn1cnnc1CN[C@H](c1ccc(F)cc1)C(C)(C)C	160836710	QFQHGWZYUSOMBA-CQSZACIVSA-N	276.359	2.831	70	20	CFID	
COCc1noc(-c2cc(F)c(Cl)cc2F)n1	160854749	WNHFQXORXHQKQR-UHFFFAOYSA-N	260.627	2.815	70	20	CFID	
O=C([C@@H]1CCCCO1)N1CCC[C@@H](Nc2ccccc2)C1	160865804	QMKCABOTECHINB-CVEARBPZSA-N	288.391	2.659	70	20	CFID	
CC(C)(C)c1nsc(N2CCO[C@@H]3CCCC[C@@H]32)n1	159843521	CIDBNWRYDLLGMR-WDEREUQCSA-N	281.425	2.983	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NCCNC1CCCCCC1	159671976	BCYKJMFRZODUPS-HOCLYGCPSA-N	266.429	2.851	70	20	CFID	
Cc1csc(CNc2ccc(N3CCNC3=O)cc2)n1	159653293	SBHGRTUAISBBSH-UHFFFAOYSA-N	288.376	2.593	70	20	CFID	
COc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(F)c1	218434085	QIQSJTCNUIVCHD-GHMZBOCLSA-N	265.328	2.952	70	20	CFID	
Cc1ccccc1S(=O)(=O)CCc1c(C)noc1C	160001594	DCRIRPTUAKSYCY-UHFFFAOYSA-N	279.361	2.616	70	20	CFID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@@H](C)[C@H]1C	1337989640	HWMGKIZOJKXKHK-MWLCHTKSSA-N	299.367	2.524	70	20	CFID	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CCNCC2)C1	161045668	GVALUMOKBICBFY-MLGOLLRUSA-N	290.382	2.735	70	20	CFID	
CC(C)CCn1ccc(NC(=O)N2C[C@H]3CC[C@H]2C3)n1	161072403	GBYJTWVCZMPNDX-STQMWFEESA-N	276.384	2.945	70	20	CFID	
CC1(C)CCC(C(=O)N2CCC(c3nnc[nH]3)CC2)CC1	161074120	RUHVZVHGGKQUSN-UHFFFAOYSA-N	290.411	2.727	70	20	CFID	
Cc1cccc(C)c1OCCSCCN1CCOCC1	160009590	FDDDSOIFXMKUGK-UHFFFAOYSA-N	295.448	2.748	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccsc1C(=O)OC	160117928	INWBUVCMKSXAEY-SDBXPKJASA-N	267.350	2.909	70	20	CFID	
CC(C)[C@@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1	160316226	GAVNYRFZLIAQJR-MRVPVSSYSA-N	278.278	2.611	70	20	CFID	
O=C(NCC1(CO)CCCC1)c1cccc2ncccc12	160298043	OMMHEEOPBYCCCC-UHFFFAOYSA-N	284.359	2.517	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)c1ccc(C)cc1	160679616	PYQCDLXFVALHFB-ZDUSSCGKSA-N	291.391	2.731	70	20	CFID	
CCCc1cc(N[C@@H]2C=CCCC2)n2ncnc2n1	160717582	NWRWDZRGCMBBMI-LLVKDONJSA-N	257.341	2.597	70	20	CFID	
Cc1ccc([C@@H](C)NCCCCN2CCC[C@@H]2CO)cc1	160753835	RZXYEUVWPHGBNF-SJLPKXTDSA-N	290.451	2.883	70	20	CFID	
CC[C@H](Oc1ccccc1C)C(=O)NC1CC=CC1	160800637	GNZVNOYYFUPBDF-AWEZNQCLSA-N	259.349	2.987	70	20	CFID	
CC[C@H](N[C@H](C(N)=O)C(C)C)c1ccc(F)cc1F	160897187	SMKCYINFONRYFN-STQMWFEESA-N	270.323	2.515	70	20	CFID	
CC(C)CNC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	160974624	OAQANXZYJVPIMX-HNNXBMFYSA-N	292.423	2.744	70	20	CFID	
CO[C@](C)(C(=O)N(C)Cc1cccn1C)c1ccccc1	160998965	RJXJQGLSOIXSCS-KRWDZBQOSA-N	286.375	2.545	70	20	CFID	
C[C@H](NC(=O)[C@@H]1CCCCN1)c1ccc(F)cc1Cl	159627653	NMPKIBMDSWIUBV-ZANVPECISA-N	284.762	2.798	70	20	CFID	
CCN(C(=O)[C@H](C)N(C)Cc1cccnc1)c1ccccc1	159829775	PYZDRBZHQQGRRM-HNNXBMFYSA-N	297.402	2.955	70	20	CFID	
CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@@H](CN)C1CC1	159868140	FFKYQKBODGCEPU-MDDUGHTDSA-N	278.783	2.549	70	20	CFID	
Cc1nc2ccccn2c1CN1CCC(NC(C)C)CC1	159751830	SKCAVUNHXIGKIF-UHFFFAOYSA-N	286.423	2.605	70	20	CFID	
Cc1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1Cl	159586588	ZWBLUMHFHYVXBQ-UHFFFAOYSA-N	276.723	2.897	70	20	CFID	
CCOC(C)(C)CNCc1nn(CC)c2ccccc12	159363901	FCHFHWRGTVZQJE-UHFFFAOYSA-N	275.396	2.961	70	20	CFID	
CC(=O)Nc1ccccc1CN[C@@H]1CCOC(C)(C)C1	160550345	WFMZKCZLMVOQQR-CQSZACIVSA-N	276.380	2.692	70	20	CFID	
Cc1noc(C)c1CSCC(=O)Nc1cccc(F)n1	160826241	UWXCCBAVVIWZQM-UHFFFAOYSA-N	295.339	2.697	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1	161391270	OICCDDNFPWZOLS-CHWSQXEVSA-N	280.799	2.659	70	20	CFID	
CC[C@@H]1CCCC[C@@H]1OCCS(=O)(=O)Cl	112356562	SYLJYMSMNQKNDG-ZJUUUORDSA-N	254.779	2.540	70	20	CFID	
CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238337	ZXZFWQSJRIDESI-OCCSQVGLSA-N	299.367	2.966	70	20	CFID	
C[C@H](Cc1ccc(Br)cc1)S(=O)(=O)Cl	235495425	QPTNZNSXNLVKMV-SSDOTTSWSA-N	297.601	2.949	70	20	CFID	
CC(C)c1cccc(N(C)C(=O)c2cccc(=O)n2C)c1	161127832	QOQINTPTBVDBNZ-UHFFFAOYSA-N	284.359	2.785	70	20	CFID	
CCC[C@@H](C(=O)N1CCOc2ncccc21)C(C)C	160150547	OKDWSQJHCLLFOE-GFCCVEGCSA-N	262.353	2.879	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)CC(C)C	160229047	MMVCXXRRUPRANX-NEPJUHHUSA-N	257.374	2.517	70	20	CFID	
COc1ccc(Cl)c(NC(=O)N2CCC[C@@](C)(O)C2)c1	160276450	VYKUZANRPDJVPY-CQSZACIVSA-N	298.770	2.727	70	20	CFID	
CCOC(=O)C(C)(C)N(C)C(=O)c1oc(CC)cc1C	160374146	GXIAWKJWHZEXAQ-UHFFFAOYSA-N	281.352	2.564	70	20	CFID	
CCc1nc(CN[C@H](CC)c2cc(F)ccc2F)n[nH]1	160461427	XUUBTCISOGZOIT-GFCCVEGCSA-N	280.322	2.886	70	20	CFID	
COC(=O)C[C@@H](C)C(=O)Nc1cc(C(C)(C)C)ccc1O	160515692	QGJHZISSWLTHJU-SNVBAGLBSA-N	293.363	2.827	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](c1ccccc1)C1CC1	160714814	JSJYOUZPXBNTLB-HOTGVXAUSA-N	275.392	2.703	70	20	CFID	
CCc1ccccc1C(=O)NCCCOC[C@@H]1CCCO1	160808081	KQTMQABRUULROM-HNNXBMFYSA-N	291.391	2.565	70	20	CFID	
CCc1ccc([C@H](C)C(=O)N[C@@H]2CCC[C@H](N)C2)cc1	160812615	QQZOXAVIYCPBLE-VBNZEHGJSA-N	274.408	2.739	70	20	CFID	
C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(CO)CC1	160884955	HZZCJWYZNBGARP-LBPRGKRZSA-N	295.810	2.750	70	20	CFID	
Cc1conc1NC(=O)C[C@@H](C)c1c(C)noc1C	160950635	IXLLLPMLIHNPJL-SSDOTTSWSA-N	263.297	2.720	70	20	CFID	
C[C@H](NC[C@H]1CCc2ccccc21)c1cnccn1	160973165	WGKSUKLEADHCLC-GXTWGEPZSA-N	253.349	2.857	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCc2ccc(NC(N)=O)cc2)C1	159413460	FCLSGGRBRCCEHA-AAEUAGOBSA-N	289.379	2.620	70	20	CFID	
CC1(NC(=O)NCCc2c(F)cccc2F)CCC1	159612265	GCZOLJBOFLVXIB-UHFFFAOYSA-N	268.307	2.749	70	20	CFID	
C[C@]1(O)CCCN(C(=O)N[C@H]2CCCc3ccccc32)C1	159679364	ORUQONNIBDQCSW-RDJZCZTQSA-N	288.391	2.620	70	20	CFID	
C[C@H]1CCC[C@@H](C(=O)Nc2cccc(NC(N)=O)c2)C1	159502762	WTNHBKNWQZICQL-WDEREUQCSA-N	275.352	2.942	70	20	CFID	
CCCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	159903777	CHERWLBMVPFNNH-GOEBONIOSA-N	289.423	2.701	70	20	CFID	
Cc1nc(CNC(=O)NC[C@@]2(C)CCCS2)cs1	159576808	JGCAIFSJYIGZQM-GFCCVEGCSA-N	285.438	2.536	70	20	CFID	
CCCn1nccc1CNc1cccc(C(=O)OC)c1	159997743	PHTSHXLXTKUOBK-UHFFFAOYSA-N	273.336	2.692	70	20	CFID	
CCOc1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218761243	RAVKRBYPNCFEOK-STQMWFEESA-N	293.388	2.567	70	20	CFID	
C[C@](F)(CS(=O)(=O)Cl)c1ccc(F)cc1F	1537959118	WSQKWWDYBQZJHL-VIFPVBQESA-N	272.675	2.718	70	20	CFID	
Cc1ccc2cccc(C(=O)N[C@H]3CCC[C@H](N)C3)c2n1	161409026	XSDRWSABHOGIKE-KBPBESRZSA-N	283.375	2.543	70	20	CFID	
CC[C@H](C(=O)Nc1cc(C2CCCCC2)nn1C)N(C)C	161423639	RJURGCGGWKTNBE-CQSZACIVSA-N	292.427	2.747	70	20	CFID	
CS[C@@H]1CCC[C@H](NC2CCC(NC(C)=O)CC2)C1	161503172	AJNOYXOQSFZMPP-PFSRBDOWSA-N	284.469	2.698	70	20	CFID	
O=C(NCC1(C2CC2)CCC1)N[C@@H]1CCC[C@H]2OCC[C@H]12	160433512	PXKGPAIOIAMBNG-RBSFLKMASA-N	292.423	2.824	70	20	CFID	
C[C@H](NC(=O)[C@H](N)c1ccccc1)[C@H](C)c1ccccc1	160892583	YVVLOEKUQAOTNH-GRDNDAEWSA-N	282.387	2.995	70	20	CFID	
Cc1ccc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)n1C	159438882	XARYFJHUSZLHFD-LRDDRELGSA-N	286.375	2.576	70	20	CFID	
Cc1cccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c1C	159638833	OXCUUWIAGQVZPW-ZDUSSCGKSA-N	286.379	2.784	70	20	CFID	
CCCc1nnc(NC(=O)[C@H]2C[C@@]2(C)CC)s1	159837793	GFQFMPYPZZKUBE-PRHODGIISA-N	253.371	2.865	70	20	CFID	
Cc1ccc([C@@H](C)CNC(=O)[C@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1	159656661	ZQSUNXSPYFHRLC-UTSOLEGOSA-N	286.419	2.588	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@H](C)[C@H]2CCOC2)c1C	159866669	RKXQHYFMSLJYQC-YPMHNXCESA-N	294.399	2.538	70	20	CFID	
COc1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1F	160240313	QIJQUWKIGWXWIT-UHFFFAOYSA-N	299.298	2.774	70	20	CFID	
COc1ccc([C@@H](C)NC(=O)Nc2cccnc2)cc1	217264669	ZVDDIHRZXSKQGO-LLVKDONJSA-N	271.320	2.973	70	20	CFID	
Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ncn1	161362910	YGZGZNGXEXKWFG-HNNXBMFYSA-N	267.332	2.762	70	20	CFID	
Cc1cccc(C(=O)NCc2cccc3c2OCO3)c1F	161475561	YQEKVOYIUGNOQN-UHFFFAOYSA-N	287.290	2.793	70	20	CFID	
CC1CCN(C2CCC(NC(=O)[C@@H]3C[C@H]3C)CC2)CC1	161504319	IPAICMWXOXIXPT-PRLABOORSA-N	278.440	2.802	70	20	CFID	
CC(C)N(C)C(=O)CSc1nc2cc(Cl)cnc2[nH]1	160113788	PERLCJXOCYAQBJ-UHFFFAOYSA-N	298.799	2.570	70	20	CFID	
C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCC[C@@H](C)C1	160366036	RDYRHDOSNIIEDN-ILXRZTDVSA-N	266.429	2.803	70	20	CFID	
CCC[C@@H](CC)NC(=O)N1CCO[C@H](CCC)C1	160683408	SMZJJFOMSPHHKF-CHWSQXEVSA-N	256.390	2.776	70	20	CFID	
Cc1n[nH]c(C)c1NC(=O)c1cc(F)cc2cccnc12	160792740	IRZOHKLELZFSPG-UHFFFAOYSA-N	284.294	2.966	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(OC)c2ncccc12	160837600	VVYXINQAUXPDSD-LLVKDONJSA-N	288.347	2.997	70	20	CFID	
Cc1nc2ccc(NC(=O)[C@@H]3CCCCO3)cc2o1	160839516	YKTFRYQEWNJMBY-LBPRGKRZSA-N	260.293	2.644	70	20	CFID	
O=c1ccn(Cc2noc(C3CCCCC3)n2)c(Cl)c1	160908661	CYPLEEDCTMUCHA-UHFFFAOYSA-N	293.754	2.981	70	20	CFID	
CC[C@H]1CCC[C@H](NC(=O)N2CCCN(CC)CC2)C1	159894528	WEJCGXJPTVUPAK-GJZGRUSLSA-N	281.444	2.692	70	20	CFID	
CCCn1nccc1CNc1ccc(NC(C)=O)cc1	159953072	GWNUIHJSGWGYNV-UHFFFAOYSA-N	272.352	2.864	70	20	CFID	
COc1cc(NC(=O)CC[C@@H]2CCCNC2)ccc1F	160343001	JAUMQPSBZQJUIW-NSHDSACASA-N	280.343	2.553	70	20	CFID	
CCc1nc(CN(C)CCOCC2CC2)cs1	159647020	GIRZMLDXLVFHJM-UHFFFAOYSA-N	254.399	2.564	70	20	CFID	
C=CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)C(C)(C)C	1338011938	QHYIYJHBGYKQBL-UHFFFAOYSA-N	299.367	2.772	70	20	CFID	
NCCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1	161072289	QYWKYPTYXXFPON-UHFFFAOYSA-N	264.373	2.525	70	20	CFID	
Cc1noc(C)c1CCSCc1ccc(C(N)=O)cc1	160095225	ZCUUSFSBPAVUBQ-UHFFFAOYSA-N	290.388	2.866	70	20	CFID	
CCN(Cc1ccc(C(=O)Nc2cn[nH]c2)cc1)C(C)C	160126813	FXEXXZJZAQUORY-UHFFFAOYSA-N	286.379	2.892	70	20	CFID	
CC(C)(C)c1ccc(CCC(=O)N2CCC[C@H]2CN)cc1	160188274	BOYFDKTVOLMMSG-INIZCTEOSA-N	288.435	2.866	70	20	CFID	
Cc1cccc([C@H]2CCCN2CCOC[C@@H]2CCCO2)n1	160240166	ULPWJKREONYUKF-DOTOQJQBSA-N	290.407	2.723	70	20	CFID	
O=C(CC[C@H]1CCCO1)N[C@@H]1CCOC2(CCCCC2)C1	160325126	ZXJUMOKLDLJTMI-HUUCEWRRSA-N	295.423	2.944	70	20	CFID	
Cc1nc2ccccn2c1CN1CCC(n2ccnc2)CC1	160330303	LRRTXQPKEXLIBY-UHFFFAOYSA-N	295.390	2.676	70	20	CFID	
CCCC1(CNC(=O)c2c(C)nsc2NC)CC1	160468836	XEDKXVLZEBHPLC-UHFFFAOYSA-N	267.398	2.803	70	20	CFID	
Cc1ccc([C@H]2COCCN2Cc2cnc3ccccn23)o1	160483516	FYBWDKDOUSVKJD-OAHLLOKOSA-N	297.358	2.809	70	20	CFID	
O=C(CSC(F)(F)F)NCCNC1CCCCCC1	159636906	GUFOEGBQFUBMGZ-UHFFFAOYSA-N	298.374	2.668	70	20	CFID	
C[C@H]1CC[C@H](NC(=O)NCc2ccc(O)c(F)c2)CC1	159440207	YPEICZBDWCBKNY-KLPPZKSPSA-N	280.343	2.909	70	20	CFID	
CCCCS[C@H](C)C(=O)N[C@@H](CO)Cc1ccccc1	159940601	SSSCQNGBTBPTAR-UKRRQHHQSA-N	295.448	2.628	70	20	CFID	
CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@H]1CCCC1(C)C	159580746	VYEHTZUXZAKYDQ-QWHCGFSZSA-N	284.444	2.907	70	20	CFID	
COc1cc(NC(=O)C[C@@H](N)C(C)(C)C)ccc1F	160349368	WIWGUHZCRSWHAY-GFCCVEGCSA-N	268.332	2.536	70	20	CFID	
Cc1cc(CNC(=O)N[C@@H]2CCOC(C)(C)C2)ccc1F	161159947	QEJUUJOGUHYIEK-CYBMUJFWSA-N	294.370	2.891	70	20	CFID	
Cc1nccn1C[C@@H](C)CNC(=O)[C@H]1CCC[C@H](C)C1	161175767	WOWLGPZNNFSWLN-YDHLFZDLSA-N	277.412	2.770	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC(C)C)C12CCCCC2	161182887	DINMGSCHLDJQLY-RRFJBIMHSA-N	296.455	2.604	70	20	CFID	
COc1ccc(NC(=O)CC[C@H]2CC[C@@H](C)O2)cc1N	161250530	SCWGLUXKESNZAZ-ZYHUDNBSSA-N	278.352	2.564	70	20	CFID	
C[C@@H](CC(=O)Nc1ccn(CC(F)F)n1)c1ccncc1	161258115	QSMVMTMMPMGMKW-JTQLQIEISA-N	294.305	2.676	70	20	CFID	
CCN(CC)[C@H](C)CNC(=O)[C@H](C)c1ccsc1	160071761	AAGQRIGMRPXMLM-VXGBXAGGSA-N	268.426	2.698	70	20	CFID	
CCNC(=O)c1ccc(NCc2ccnn2CC)c(C)c1	160101188	VESCRHHVNXLSAU-UHFFFAOYSA-N	286.379	2.573	70	20	CFID	
NCCCNC(=O)C1(c2cccc(Cl)c2)CCCC1	160142958	BVSKIUFHSIXTKL-UHFFFAOYSA-N	280.799	2.617	70	20	CFID	
CCCCO[C@@H](C)C(=O)N(C)c1ccc2c(c1)OCO2	160238405	DOYIIOYRFVAOJX-NSHDSACASA-N	279.336	2.583	70	20	CFID	
CC(C)C[C@@H](C)NC(=O)NC[C@H]1CCN(CC(C)C)C1	160245994	RZSDLGJUTDZXFG-HUUCEWRRSA-N	283.460	2.698	70	20	CFID	
COc1ccccc1C(=O)NC[C@H]1CCCN1CC(C)C	160426718	HHYDRXNRCGDIRR-CQSZACIVSA-N	290.407	2.545	70	20	CFID	
CCCC1(CNC(=O)c2ccc(-n3cncn3)cc2C)CC1	160476469	NTFPADWFQFFSRQ-UHFFFAOYSA-N	298.390	2.886	70	20	CFID	
CCOc1ccccc1CNC(=O)CO[C@@H](C)CC	160568630	MDTJMEFPEQXMMJ-LBPRGKRZSA-N	265.353	2.517	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)[C@@H](C)CCc1ccccc1F	160744232	AOIKUSJOJBDJGU-XJKSGUPXSA-N	295.398	2.918	70	20	CFID	
CCN1CCCC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1	159661952	FTSVGOULPQHTLW-QGZVFWFLSA-N	299.418	2.701	70	20	CFID	
COc1ccc(NC(=O)NCC2(C3CC3)CCC2)cn1	159993193	GFINLAZXSDLNFW-UHFFFAOYSA-N	275.352	2.792	70	20	CFID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC1CC1)CC1CC1	159993783	PPMQFEIOFRBPSS-NHYWBVRUSA-N	263.381	2.640	70	20	CFID	
Cc1ccc(Cl)c(OCCCS(=O)(=O)Cl)c1	108304193	FFIQRUKKGXNHAP-UHFFFAOYSA-N	283.176	2.986	70	20	CFID	
O=S(=O)(F)Oc1ccc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	1887497551	PUTUUPUGRBLEDU-SRVKXCTJSA-N	297.351	2.904	70	20	CFID	
CSC[C@](C)(O)CNCc1ccc(C(F)(F)F)cc1	217856242	VEXBZUUDMIZLOO-GFCCVEGCSA-N	293.354	2.909	70	20	CFID	
Cc1nn(C)c(C)c1CNCc1cccc2cc[nH]c12	218172017	JLIMFHIFNFQCRF-UHFFFAOYSA-N	268.364	2.808	70	20	CFID	
Cc1nc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)cs1	161008709	VVAVAIQJHYGBQJ-MWLCHTKSSA-N	252.383	2.894	70	20	CFID	
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H](C)N)cc1	161234781	AURGJYPCEQUJAM-NFAWXSAZSA-N	260.381	2.642	70	20	CFID	
COCC(C)(C)C(=O)NCC1(c2ccccc2)CC1	161235432	IRVXCAAXCCFSOU-UHFFFAOYSA-N	261.365	2.507	70	20	CFID	
COc1cc(C(=O)N(C)C2CCCCC2)cc(OC)c1O	161269758	FUAXNROAMWPABQ-UHFFFAOYSA-N	293.363	2.814	70	20	CFID	
COc1c(Cl)cccc1NC(=O)N[C@H]1CC[C@H](O)CC1	161343586	OLPBXLOCKYBJHW-AOOOYVTPSA-N	298.770	2.774	70	20	CFID	
COc1cccc(CCNC(=O)N2CCC3(CCC3)C2)c1	160025040	JFFUKKRSMUJIQL-UHFFFAOYSA-N	288.391	2.823	70	20	CFID	
CCCC[C@H](COC)NC[C@](C)(O)c1ccsc1	160033685	TXGQCONZJIEJSK-KGLIPLIRSA-N	271.426	2.750	70	20	CFID	
NCCCNC(=O)c1cc(Cl)ccc1OC1CCCC1	160152771	MPOLEPCDDPAECL-UHFFFAOYSA-N	296.798	2.740	70	20	CFID	
CCc1ccccc1OCC(=O)NCCc1cccc(O)c1	160162916	VANOZRVCLWQILO-UHFFFAOYSA-N	299.370	2.692	70	20	CFID	
C[C@@H](CC(=O)N(C)Cc1cscn1)c1ccncc1	160233796	KFEYIKWNKQIDMY-NSHDSACASA-N	275.377	2.690	70	20	CFID	
Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)o1	160366134	KBCQBSDRTHBDSZ-UHFFFAOYSA-N	272.264	2.527	70	20	CFID	
CCO[C@H](C(=O)N(C)Cc1cccn1C)c1ccccc1	160387267	IPMNMBGJNUJNAA-INIZCTEOSA-N	286.375	2.761	70	20	CFID	
CCCCN(CCCC)C(=O)CS(=O)(=O)C(C)(C)C	160391644	JABVRIMNECCPAF-UHFFFAOYSA-N	291.457	2.629	70	20	CFID	
CCc1cc(NC(=O)C[C@H](C)c2ccncc2)n(C)n1	160632224	HYIAMLLCOZZRQW-NSHDSACASA-N	272.352	2.510	70	20	CFID	
CC(C)NC(=O)CN[C@H]1c2cccc(F)c2CC[C@H]1C	160914781	FCUCKEVGLNOIOF-BDJLRTHQSA-N	278.371	2.563	70	20	CFID	
O=C(NCCc1ccco1)c1csc([C@@H]2CCCO2)n1	159483842	LNQOULGSRMWLQC-LBPRGKRZSA-N	292.360	2.560	70	20	CFID	
CCCN(CCC)C(=O)Nc1ccnn1C[C@H]1CCOC1	159719325	OCQYXICCYJCIFL-CYBMUJFWSA-N	294.399	2.574	70	20	CFID	
Cc1ccsc1CCCC(=O)NCC(C)(C)N(C)C	159534215	CYSZGXDPLOOPGY-UHFFFAOYSA-N	282.453	2.836	70	20	CFID	
CCC[C@H](O)CNC(=O)[C@H](C)Cc1ccccc1Cl	159391923	DZYOBRGFPIRQOS-YPMHNXCESA-N	283.799	2.796	70	20	CFID	
CC(C)Cc1noc(CN(C)OCc2ccccc2)n1	159634921	NYLFXJLVOHSMAI-UHFFFAOYSA-N	275.352	2.832	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cccc(F)c1F	159995932	IGZHZABWIKUWOY-UHFFFAOYSA-N	251.276	2.885	70	20	CFID	
CC1=CCN(C(=O)c2ccc(Br)nc2)CC1	160171806	GMJSCZDWHQQDOX-UHFFFAOYSA-N	281.153	2.636	70	20	CFID	
CC[C@]1(C)CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1	1120944720	WHYFTAJTLCCTNW-CQSZACIVSA-N	299.367	2.607	70	20	CFID	
COCCC1(CNC(=O)N(C)C2CCCCC2)CC1	161097994	ZAZDKXBDRXZDIT-UHFFFAOYSA-N	268.401	2.777	70	20	CFID	
CCO[C@@H]1C[C@@H](NC(=O)C(CC)(CC)CN)C12CCCC2	161235349	CPOPBVSPAWYIAW-ZIAGYGMSSA-N	296.455	2.606	70	20	CFID	
Cc1csc(Cn2nc(C3CC3)nc2C2CC2)n1	161434695	HVRSHRAYCYGOGI-UHFFFAOYSA-N	260.366	2.846	70	20	CFID	
Cc1cccc([C@@H]2CCCN2CC(=O)N[C@@H](C)C(C)C)n1	160234554	YNAXBHJPZRYDQF-HOCLYGCPSA-N	289.423	2.688	70	20	CFID	
CC(C)OC(=O)CCCNc1cnc2ccccc2n1	160261891	JMGJOWWRPUDJPG-UHFFFAOYSA-N	273.336	2.774	70	20	CFID	
CC(C)n1nccc1C(=O)N[C@H]1CCc2ccccc21	160314488	MWDGUDZTURMCGA-AWEZNQCLSA-N	269.348	2.881	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](CC(=O)OC)c1ccccc1	160427289	NFSPCFZKLNCXLM-JKIFEVAISA-N	289.375	2.843	70	20	CFID	
Cc1cc(Oc2ccc(NC(=O)c3cocn3)cc2)n[nH]1	160479285	OXBVWLRZNLNYSY-UHFFFAOYSA-N	284.275	2.751	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccccn1	160558543	MXMIHUWJYBLEBA-ZDUSSCGKSA-N	274.364	2.693	70	20	CFID	
C[C@@H](N[C@@H](CCCO)c1ccccc1)[C@H]1CCOC1	160720434	CGMAOMZOTHXAQM-KBMXLJTQSA-N	263.381	2.515	70	20	CFID	
CC(C)N(C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	160749697	KDMNHXQHFHEVAV-HUUCEWRRSA-N	276.380	2.957	70	20	CFID	
COCc1cc(CNC(=O)NC2(C)CCC2)ccc1F	160970107	STXYXTAIRDEKFP-UHFFFAOYSA-N	280.343	2.714	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCOC(C)(C)C2)c1C	159616257	POWHQHUABSACNY-UHFFFAOYSA-N	294.399	2.634	70	20	CFID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C(C)C)nn1C	159831501	APZAACWVMPNMMF-VXGBXAGGSA-N	263.385	2.852	70	20	CFID	
CC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C	159864768	KKTMBMGNKIIFLP-ZANVPECISA-N	298.180	2.757	70	20	CFID	
CCCC(=O)Nc1cccc(CN[C@@H](C)[C@@H]2CCOC2)c1	159881053	KMVIRKGRHDDRFQ-DZGCQCFKSA-N	290.407	2.940	70	20	CFID	
CCCCn1ncc(NC(=O)N2CCSCC2)c1C	159710886	LKPSHOJADFTKHV-UHFFFAOYSA-N	282.413	2.572	70	20	CFID	
Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H]2CC[C@H](N)C2)c1	159964759	GNEFCDCKMVJXRY-KKUMJFAQSA-N	274.408	2.950	70	20	CFID	
CCc1cnc(CNCc2ccccc2NC(C)=O)s1	160499822	OIZMBRVWMYRZGB-UHFFFAOYSA-N	289.404	2.954	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1oc2ccccc2c1C	160106700	JGXWRBGDCUQDAS-NSHDSACASA-N	261.321	2.632	70	20	CFID	
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864238059	BMSDCPQBSQQFKA-ZYHUDNBSSA-N	299.367	2.653	70	20	CFID	
C[C@@H]1CCN(CCS(=O)(=O)F)c2ccccc2S1	883953863	NWLUQGOOMBYWAS-SNVBAGLBSA-N	289.397	2.677	70	20	CFID	
O=S(=O)(Cl)c1cccc(C(F)(F)F)c1F	218480215	XYFDWDIVRHEMRM-UHFFFAOYSA-N	262.611	2.772	70	20	CFID	
Cc1cccc(NCc2nnc3n2CCCC3)c1C	217317756	YXEVXAKBDUDXIF-UHFFFAOYSA-N	256.353	2.843	70	20	CFID	
CC(C)COCCCNC(=O)c1ccc(C(C)C)nc1	161336334	VSAJJYXCUKKZOR-UHFFFAOYSA-N	278.396	2.998	70	20	CFID	
CCN(CC)CCNC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C	161480511	UPYXRKVJOWGGCH-KFWWJZLASA-N	281.444	2.691	70	20	CFID	
C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(CN(C)C)cc1	161493635	YKTKLKVCNRYURP-AWEZNQCLSA-N	297.402	2.976	70	20	CFID	
C[C@@H](O)CN(C)C(=O)Cc1csc2ccc(Cl)cc12	160098074	CHUMONOWSJZQRN-SECBINFHSA-N	297.807	2.936	70	20	CFID	
CCCn1nccc1CNC1CCC(C(=O)OCC)CC1	160105181	TXEONEMFPWLWNH-UHFFFAOYSA-N	293.411	2.505	70	20	CFID	
Cc1nc(CC(=O)NCc2sc(C)nc2C)c(C)s1	160568086	SYULALJEGNZUEA-UHFFFAOYSA-N	295.433	2.692	70	20	CFID	
CC[C@@H](C)[C@H](C)NCc1ccccc1CS(C)(=O)=O	160929293	KKKZPGDBPQWLEA-OLZOCXBDSA-N	283.437	2.755	70	20	CFID	
CCCCS[C@H](C)C(=O)NCC1(N)CCCCC1	159536542	ISCVKBUETKCFMJ-GFCCVEGCSA-N	272.458	2.686	70	20	CFID	
O=C(C[C@H]1CCCN1)N1CC2(CCCC2)c2ccccc21	159370072	UWIZBMSGWAKHAT-CQSZACIVSA-N	284.403	2.987	70	20	CFID	
CCc1ccccc1CNc1nc(OC)cc(OC)n1	159790595	KQMXKSVVAMAMMS-UHFFFAOYSA-N	273.336	2.668	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3	160188978	UABXOGICWDOVOL-CGAUPDFVSA-N	279.424	2.582	70	20	CFID	
O=C(CCNCc1cc(F)cc(Cl)c1)N1CCCCC1	160982509	VYGAINXGQQNZRE-UHFFFAOYSA-N	298.789	2.971	70	20	CFID	
Cc1n[nH]cc1CNC(C)(C)CN(C)Cc1ccccc1	159374302	HQNAFPOEZMEXSU-UHFFFAOYSA-N	286.423	2.718	70	20	CFID	
CC(C)CNC(=S)NCCc1c[nH]c2ccccc12	217762363	DVIQXVAURXJUNX-UHFFFAOYSA-N	275.421	2.831	70	20	CFID	
CCOc1cc(C)ccc1NC(=O)N[C@H]1CC[C@H](O)CC1	161034326	KNNJFXOQTRLCCQ-BETUJISGSA-N	292.379	2.819	70	20	CFID	
Cn1cnc(-c2ccc(NC(=O)N[C@@H]3C=CCCC3)cc2)n1	161201209	QZOTXQZJNVPPAH-CYBMUJFWSA-N	297.362	2.712	70	20	CFID	
Cc1ccc(OCC(=O)NCC2(C3CC3)CC2)cc1	160002007	KFXUQYFURRTESX-UHFFFAOYSA-N	259.349	2.680	70	20	CFID	
COC[C@@H](NCc1ccc(OC(C)C)nc1)C(C)C	160088434	ZNSUQHGQMBYTTE-CQSZACIVSA-N	266.385	2.629	70	20	CFID	
CC[C@@H](NC(=O)COc1ccccc1)c1c(C)noc1C	160624505	VKQLIDVRPZWREO-CQSZACIVSA-N	288.347	2.938	70	20	CFID	
CC[C@@H](NCCCCN1CCC[C@@H]1CO)c1ccccc1	160685670	BFBSDHOHMTUBBF-QZTJIDSGSA-N	290.451	2.964	70	20	CFID	
COCCCCNC(=O)N1CCC[C@H]1c1cccc(C)n1	160738261	LGBQQYOMAAEEQK-HNNXBMFYSA-N	291.395	2.663	70	20	CFID	
C[C@@H]1CCC[C@H](CNC(=O)c2cccc3[nH]c(=O)oc23)C1	160781200	NCUIFAHYCAQREU-MNOVXSKESA-N	288.347	2.677	70	20	CFID	
COCCCOc1ccccc1NC(=O)NOCC(C)C	159478782	BDUXMEMEBAUUDH-UHFFFAOYSA-N	296.367	2.811	70	20	CFID	
CC1(NC(=O)NCc2ccn(-c3ccccc3)n2)CCC1	159887373	HTFDJOKIBJADSR-UHFFFAOYSA-N	284.363	2.614	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1cc(F)c(OC)c(F)c1	159985571	JJEVADBEXVSFIT-QMMMGPOBSA-N	273.279	2.727	70	20	CFID	
Cc1nccc(N[C@H]2CCCc3cc(N)ccc32)n1	159491078	BJKDSSQYYYSRDO-AWEZNQCLSA-N	254.337	2.857	70	20	CFID	
N[C@@H]1CCC[C@@H](NC(=O)c2csc3c2CCCC3)C1	161166638	FFLLTDWCUJTSKR-GHMZBOCLSA-N	278.421	2.627	70	20	CFID	
O=C(c1cc(-c2ccco2)[nH]n1)N1[C@H]2C=CC[C@H]1CC2	218743341	YZLVPLULEOSQNY-QWRGUYRKSA-N	269.304	2.603	70	20	CFID	
CCCC1(CNC(=O)NCc2ncccc2F)CC1	160335282	BOPWUJLRBORDRD-UHFFFAOYSA-N	265.332	2.600	70	20	CFID	
CCc1ccc2c(c1)C=C(S(=O)(=O)Cl)CO2	100645397	FKNDMJVCJYODPY-UHFFFAOYSA-N	258.726	2.551	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)COc2ccc3ccccc3c2)C1	161188335	GEVHBDIBAQXVFD-JKSUJKDBSA-N	298.386	2.605	70	20	CFID	
c1nc(CSCc2nc(C3CCOCC3)no2)cs1	161349626	ARVAQYRTKWFEHU-UHFFFAOYSA-N	297.405	2.854	70	20	CFID	
CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	160720077	QAROJSDHSLNLFO-JTQLQIEISA-N	299.777	2.767	70	20	CFID	
COCC(C)(C)C(=O)N[C@H]1[C@H]2CCc3ccccc3[C@@H]21	160728152	QFISGIDGHZFNKU-KKUMJFAQSA-N	273.376	2.504	70	20	CFID	
C[C@@H](Cc1ccccc1Cl)C(=O)NCC(C)(C)CO	160915515	HHZRBDXVQGKWBA-NSHDSACASA-N	283.799	2.653	70	20	CFID	
C[C@H]1CC[C@H](NC(=O)c2cn[nH]c2)c2ccccc21	159472954	NXQQWYKRSXMZQD-HZMBPMFUSA-N	255.321	2.778	70	20	CFID	
CCc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	159940286	KNDOCNRIKORTGE-OKILXGFUSA-N	262.353	2.674	70	20	CFID	
Cc1cc(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)ncn1	159561805	WQLPSRPJHVUUHS-MRXNPFEDSA-N	298.390	2.652	70	20	CFID	
CC(C)OC1CCC(NC(=O)C2[C@H]3CCC[C@H]23)CC1	159568306	CGFJBDXJQNKFRK-HOAMVYINSA-N	265.397	2.885	70	20	CFID	
Cc1c(Br)ccc(S(=O)(=O)Cl)c1C	164715518	FJAKQMPZWFIBMM-UHFFFAOYSA-N	283.574	2.993	70	20	CFID	
CC(C)CNC(=O)[C@H](C)N[C@H](C)c1cccc(F)c1F	159427758	PHBIRICUBFMJOG-MNOVXSKESA-N	284.350	2.776	70	20	CFID	
CCCC1(CNC(=O)c2csc(NCC)n2)CC1	161346565	YLEWOEHGGAWOJN-UHFFFAOYSA-N	267.398	2.885	70	20	CFID	
c1sc(C2CC2)nc1CN1CCN(CC2CC2)CC1	161436067	HETKZKHNBUJCRT-UHFFFAOYSA-N	277.437	2.548	70	20	CFID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2	769658841	AKDGHYGSGBKVIP-OUJBWJOFSA-N	297.351	2.720	70	20	CFID	
O=C(N[C@H]1CCC[C@H]1CO)c1csc2ccccc12	217909117	IIGDAPQPEQLPLI-GWCFXTLKSA-N	275.373	2.792	70	20	CFID	
CCCn1c(C)nnc1COc1cc(F)ccc1C(C)=O	161320836	TXNXOZLOMSOCGF-UHFFFAOYSA-N	291.326	2.917	70	20	CFID	
COc1cc(C(C)=O)c(OC)cc1OCc1nccs1	161410129	PBIGTFROEXDAJO-UHFFFAOYSA-N	293.344	2.942	70	20	CFID	
CC1=C(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CCCO1	160026215	SGMLOPBWHBXYAK-ZACQAIPSSA-N	283.371	2.773	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CCCS1	160175331	UXQYZFNFCARJSS-JOYOIKCWSA-N	297.424	2.590	70	20	CFID	
C[C@@H](NC(=O)C1CCC(C)(C)CC1)c1cnn(C)c1	160652115	GLHBKXFGJQZHOS-LLVKDONJSA-N	263.385	2.814	70	20	CFID	
CC(C)NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	160960271	MIKOPOBRXAYRJC-UHFFFAOYSA-N	283.759	2.572	70	20	CFID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccncc1	160851437	CJNYGKANBQDJKY-CQSZACIVSA-N	274.364	2.693	70	20	CFID	
C[C@H](NC[C@H]1CCc2ccccc21)c1cnn(C)c1	160975743	NOLSTCFZUPXMBL-GXTWGEPZSA-N	255.365	2.801	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)NCc2ccc(NC(N)=O)cc2)C1	159413335	FCLSGGRBRCCEHA-YPMHNXCESA-N	289.379	2.620	70	20	CFID	
Fc1ccc(CN(CCn2ccnc2)CC2CC2)cc1	159830184	WGTIYIZGNBMKCS-UHFFFAOYSA-N	273.355	2.934	70	20	CFID	
CSCCCCC(=O)NC[C@H](C)N1CCC[C@H](C)C1	159875177	KGDFZOYKRNKEBC-KBPBESRZSA-N	286.485	2.756	70	20	CFID	
NC1(CNC(=O)c2ccccc2OC(F)F)CCCCC1	159494279	FGTTYPZBTGXGDW-UHFFFAOYSA-N	298.333	2.679	70	20	CFID	
CCCOc1ccc([C@H](C)NCCO)c(OCCC)c1	159705235	SNZSCEMLDAPUME-ZDUSSCGKSA-N	281.396	2.907	70	20	CFID	
O=C(CCC1CCCC1)Cn1cnc2ccccc2c1=O	159916998	CYMFOFKITNCZBL-UHFFFAOYSA-N	284.359	2.936	70	20	CFID	
C[C@@]1(NC(=O)c2cc3ccccc3c(Cl)n2)CCOC1	160210066	WRYBVYJIKSRRIU-OAHLLOKOSA-N	290.750	2.797	70	20	CFID	
CCC(N)(CC)CNC(=O)COc1ccc(Cl)c(C)c1	160486839	ZGIZYLNUFCZGPM-UHFFFAOYSA-N	298.814	2.661	70	20	CFID	
Cc1cc(C(=O)NCc2ccccn2)cc(C)c1F	161335266	MNOAMSLYUQAJMJ-UHFFFAOYSA-N	258.296	2.768	70	20	CFID	
Cc1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1	160214199	MPAMMBBKWXKWHK-BBRMVZONSA-N	282.391	2.717	70	20	CFID	
CCC[C@H]1CCc2ccccc2N1CCS(=O)(=O)F	883954597	SPSMJYLELUEMJA-ZDUSSCGKSA-N	285.384	2.907	70	20	CFID	
CCn1cnnc1CNCc1cc(C)c(C)cc1C	218221992	ZMGQVFKUXHELRR-UHFFFAOYSA-N	258.369	2.513	70	20	CFID	
CC[C@@H](COC)N[C@H](c1ccc2c(c1)OCCO2)C1CC1	161147484	CLLXMAYJFLTSFR-YOEHRIQHSA-N	291.391	2.924	70	20	CFID	
O=S(=O)(CC1CCCCC1)NCC1(C2CC2)CC1	160113629	NMYCDIBYCVZSAQ-UHFFFAOYSA-N	271.426	2.676	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1nccc2ccccc12	160224697	ASNCFDGJFBHTQG-UHFFFAOYSA-N	292.338	2.913	70	20	CFID	
CCCc1ncc(C(=O)N(C)Cc2cccn2C)s1	160409966	GVJXGJWPAXMWPL-UHFFFAOYSA-N	277.393	2.706	70	20	CFID	
Cc1ccccc1CN(C)Cc1ccc(C(=O)N(C)C)[nH]1	160519168	PGRDFLCOOPXGNM-UHFFFAOYSA-N	285.391	2.657	70	20	CFID	
Cc1nc2ccccn2c1CN1C[C@@H](C)S[C@H](C)C1	160815262	NNZBKZKAGJBPPE-VXGBXAGGSA-N	275.421	2.969	70	20	CFID	
OCCN[C@@H](CCc1ccccc1)c1ccccc1	159703668	VAZSSHNQCCXJQD-KRWDZBQOSA-N	255.361	2.942	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)N(C)CC1CCOCC1	159926668	MORGBDWIBCFGTR-KBPBESRZSA-N	268.401	2.633	70	20	CFID	
CCCn1ncnc1CN[C@@H](C)c1cccc(C)c1	160259728	NIOOSAOVPUMLJO-ZDUSSCGKSA-N	258.369	2.847	70	20	CFID	
Cc1cscc1NC(=O)c1cnc2c(c1)ncn2C	160944798	HPBJAEZPWGMXQP-UHFFFAOYSA-N	272.333	2.591	70	20	CFID	
COc1ccc(CCCC(=O)NOCC(C)C)c(OC)c1	161265087	RPIAKTVTAZCVJH-UHFFFAOYSA-N	295.379	2.730	70	20	CFID	
C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCNC2)C1	160105420	GASXAMSDLHFEPT-MAUKXSAKSA-N	286.419	2.566	70	20	CFID	
CCc1nc(CN2CC=C(c3cccc(C)c3)CC2)n[nH]1	160232808	ACAOKFOXYKPOTO-UHFFFAOYSA-N	282.391	2.965	70	20	CFID	
CCOC(=O)Cc1csc(NC(=O)[C@H]2C[C@@]2(C)CC)n1	160406476	OZCBGUHDZNHUSL-QMTHXVAHSA-N	296.392	2.623	70	20	CFID	
C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CC2(C)C)(N(C)C)C1	160413171	DQBQPMLKBNHNMU-DVOMOZLQSA-N	266.429	2.659	70	20	CFID	
CC[C@H](NC(=O)c1cc(OC)ccn1)c1c(C)noc1C	160513180	XYFCKQRGUJZJSX-LBPRGKRZSA-N	289.335	2.576	70	20	CFID	
Cc1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)o1	160572568	ZMMDCMZRWDEALL-UHFFFAOYSA-N	259.261	2.593	70	20	CFID	
C[C@@H](Sc1ccccc1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160715429	NUBVEXQXSJXCFH-MCIONIFRSA-N	290.432	2.520	70	20	CFID	
CCCN(CCC)CCCC(=O)Nc1c[nH]c(=O)c(C)c1	159649455	URZVYWLZNKOKSY-UHFFFAOYSA-N	293.411	2.524	70	20	CFID	
CCC[C@@H]1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1	159852410	XDVFKVHWLFEZGQ-CQSZACIVSA-N	298.390	2.920	70	20	CFID	
CC(=O)NC[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159474593	FFBZHTCODRAUKX-CQSZACIVSA-N	294.439	2.578	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)Oc1cccnc1	159544135	YKXBWLIULHEUPZ-MBNYWOFBSA-N	262.353	2.544	70	20	CFID	
C[C@H](N[C@@H](CC(N)=O)C1CCCCC1)c1ccccn1	159751611	KZDKMIQYLKWEBO-WFASDCNBSA-N	275.396	2.557	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)c1ccco1	159382665	DCMZBDUFLPWLIG-UHFFFAOYSA-N	259.305	2.568	70	20	CFID	
COc1ccc([C@@H](C)N(C)CCn2ccnc2)cc1	161354970	STCWIBWXQHEQAQ-CYBMUJFWSA-N	259.353	2.585	70	20	CFID	
CCc1noc(C)c1C[S@](=O)c1cccc(OC)c1	161061303	LTTLNZAYCJCOJR-LJQANCHMSA-N	279.361	2.862	70	20	CFID	
CNC(=O)c1ccccc1NC(=O)c1cccc(C)c1F	161422463	MGLLPJUWEYYIOW-UHFFFAOYSA-N	286.306	2.746	70	20	CFID	
CCCn1c(C)nnc1COc1ccc(Cl)nc1	161424971	IRXWVVYGTZVJRS-UHFFFAOYSA-N	266.732	2.624	70	20	CFID	
CCOc1ccc(NC(=O)N[C@]2(C)CCOC2)cc1F	161459041	QNGKRYIJPWBCEO-CQSZACIVSA-N	282.315	2.525	70	20	CFID	
COc1ccc(N(C)C(=O)c2cnc(C)cn2)cc1Cl	160043796	WSTMUGVFXFDWGV-UHFFFAOYSA-N	291.738	2.724	70	20	CFID	
CCOCCC1(C(=O)N[C@@H](C)c2ccccn2)CCC1	160588249	OPYNJCNKGGVHCT-ZDUSSCGKSA-N	276.380	2.856	70	20	CFID	
CCCC1(CNC(=O)c2cnn(C)c2-n2cccc2)CC1	160595683	LQRVQUSCRWFVCI-UHFFFAOYSA-N	286.379	2.521	70	20	CFID	
CCCC1(CNC(=O)c2ccc(NC=O)cc2)CC1	160626774	VQYJARPAKQNXDD-UHFFFAOYSA-N	260.337	2.565	70	20	CFID	
C[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)c2ccccc21	160760234	CFKWJASMCWHDKU-HIFRSBDPSA-N	299.418	2.804	70	20	CFID	
CC[C@H](CC(=O)N(C)CC(C)(C)O)c1ccc(OC)cc1	159632500	TXYDDJOODRXUNN-CYBMUJFWSA-N	293.407	2.808	70	20	CFID	
Cc1ccc(NC(=O)c2cccc(NC(=O)N(C)C)c2)nc1	159525259	FRMRCQIXMBZDMT-UHFFFAOYSA-N	298.346	2.736	70	20	CFID	
O=C(Nc1ccc2ncsc2c1)N[C@H]1CC[C@H](O)CC1	160708314	XKEJCODGDWFRDF-JGZJWPJOSA-N	291.376	2.721	70	20	CFID	
Cc1noc(C)c1CNc1nnc(C(C)C)s1	160474916	IPPHQVKTWGTMJR-UHFFFAOYSA-N	252.343	2.878	70	20	CFID	
CC[C@H](COC)NC[C@H](C)N(C)Cc1ccccc1	160888761	VZXPQFBCBRZYTF-GOEBONIOSA-N	264.413	2.522	70	20	CFID	
CCN(CC1CCC1)C(=O)c1ccc(S(=O)(=O)F)cc1	864241835	NEIZLSJFNFMJTK-UHFFFAOYSA-N	299.367	2.607	70	20	CFID	
CC1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCCC1	1336950199	YDPSOKFOSULSHU-UHFFFAOYSA-N	299.367	2.655	70	20	CFID	
CN(CCc1nccs1)C(=O)Nc1ccccc1F	159823325	CGQPMLOCLVKAST-UHFFFAOYSA-N	279.340	2.989	70	20	CFID	
Cc1cccc([C@@H](O)Cn2cnc3c2CCCC3)c1	216906890	VYKNXPJRLPBJSJ-INIZCTEOSA-N	256.349	2.804	70	20	CFID	
Cc1cc(C(=O)Nc2sccc2S(C)(=O)=O)oc1C	161080056	LQQZXZYHLIBMQL-UHFFFAOYSA-N	299.373	2.614	70	20	CFID	
COc1ccc([C@@H](C)N(C)C(=O)c2cc(C)ncn2)cc1	161425279	OEEVQTDHJKPXBQ-GFCCVEGCSA-N	285.347	2.627	70	20	CFID	
CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	160686724	IWFUJUDHYPZWRU-BBWFWOEESA-N	286.419	2.779	70	20	CFID	
CN1C(=O)CCc2cc(C(=O)NC[C@H]3CC=CCC3)ccc21	160708275	AMSQEHKSPCXDGV-ZDUSSCGKSA-N	298.386	2.682	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)NC1(c2noc(C)n2)CCCC1	160729608	RUQTVGHJHCUQRU-SMDDNHRTSA-N	277.368	2.700	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1	159400861	NTNJENMABWAKFD-STQMWFEESA-N	293.436	2.618	70	20	CFID	
C[C@@H](CN[C@H](C)c1cnccn1)N1CCc2ccccc2C1	159807088	CGSUFVRILURWSX-LSDHHAIUSA-N	296.418	2.574	70	20	CFID	
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCCN(CC)CC1	159919930	YATOMHLFGCRKBE-ZIAGYGMSSA-N	269.433	2.548	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](C)CSC)c1C	159947070	UQAJTNSTJAWJFV-JTQLQIEISA-N	284.429	2.865	70	20	CFID	
COC(C)(C)CNC(=O)c1cc2cc(N)ccc2s1	159831349	HUQUXXCNGOSCCS-UHFFFAOYSA-N	278.377	2.638	70	20	CFID	
CCCn1nccc1CN[C@@H](C)CCc1ccco1	159985470	OQELPGWDLDRVGF-ZDUSSCGKSA-N	261.369	2.997	70	20	CFID	
C[C@H](NS(=O)(=O)c1cccc(F)c1)c1cccc(O)c1	160164254	FTCXMKOUMTUEGK-JTQLQIEISA-N	295.335	2.571	70	20	CFID	
CCc1cc(O)nc(CN2CCC[C@@H]2C2CCCC2)n1	160968910	LNKFTLZKAQDAPH-CQSZACIVSA-N	275.396	2.899	70	20	CFID	
CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)F)cc1	865205544	GPPQLOUNKCDIOX-UHFFFAOYSA-N	299.367	2.607	70	20	CFID	
C[C@H](CCC1CC1)NC(=O)c1cccc(S(=O)(=O)F)c1	1338943008	IDNQBUUMIFVNNH-SNVBAGLBSA-N	299.367	2.653	70	20	CFID	
CCCC(O)(CCC)CC(=O)N1CCS[C@H](C)C1	161408568	YKLZMOXRGCUBHV-GFCCVEGCSA-N	273.442	2.672	70	20	CFID	
COc1ccc(NC2CCC(NC(C)=O)CC2)cc1OC	161081371	FQEXRCJEVCSQTK-UHFFFAOYSA-N	292.379	2.563	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NC(=O)NOCc1cccnc1	161101926	HGKCRCBBPTZRHS-KBPBESRZSA-N	277.368	2.781	70	20	CFID	
Cc1noc([C@H]2COCCN2Cc2c(C)cccc2C)n1	161149779	ZLEPLBIGGHYXNO-OAHLLOKOSA-N	287.363	2.568	70	20	CFID	
CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O	161268597	XFMLVEMWDUBBGP-HZSPNIEDSA-N	294.439	2.753	70	20	CFID	
COc1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1N	161396651	HYPBJJFGWNWDSX-SMDDNHRTSA-N	292.379	2.811	70	20	CFID	
CC(=O)NC1CCC(NCCCc2cccc(F)c2)CC1	161431424	PVPDCBPBVZNQJV-UHFFFAOYSA-N	292.398	2.795	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)Cc1ccc(C)nc1	160046077	UQUWBZUYZBEJQU-INIZCTEOSA-N	296.370	2.745	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160242752	JVXFIOOZBOXQFA-ABAIWWIYSA-N	261.321	2.814	70	20	CFID	
CCN(CC(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160247668	XGQSREWWAQVDMZ-ZIAGYGMSSA-N	268.401	2.632	70	20	CFID	
Cc1nc2ccccn2c1CN1CCOC[C@@H]1CC(C)C	160412825	MARLSFVUFJIJBM-HNNXBMFYSA-N	287.407	2.890	70	20	CFID	
CCc1nnsc1C(=O)Nc1cccc(OCCF)c1	160488587	HTCVUCCSBMDVCE-UHFFFAOYSA-N	295.339	2.701	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)C/C=C/c1ccccc1F	160759282	DJZAXXCGUVJMIC-DYLGSBMWSA-N	279.355	2.752	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cc(C(=O)N(C)C)ccc1C	159417258	NISBSURLMNDKQS-NSHDSACASA-N	294.420	2.777	70	20	CFID	
CC[C@H](COC)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1	159612597	HRABSWQEOAQVOY-TZMCWYRMSA-N	299.436	2.556	70	20	CFID	
CC[C@@H](NCc1ccccc1CN(CC)CC)C(=O)OC	159480828	JRATYEKFVUBPEQ-MRXNPFEDSA-N	292.423	2.570	70	20	CFID	
Cc1cccc([C@@H](NC(=O)c2cc[nH]n2)c2ccccn2)c1	159946751	KJDVRAOFHOAHRX-MRXNPFEDSA-N	292.342	2.633	70	20	CFID	
CN(Cc1ccccc1)C(=O)NCCc1cscn1	159445033	FLCVNPNZUFYEQR-UHFFFAOYSA-N	275.377	2.527	70	20	CFID	
CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159427363	PHBIRICUBFMJOG-WDEREUQCSA-N	284.350	2.776	70	20	CFID	
Cc1noc(NC(=O)C[C@@H]2CCCCC2(C)C)n1	159885967	RVSPGNPSWGGYDX-JTQLQIEISA-N	251.330	2.923	70	20	CFID	
CC1CCC(CNC(=O)c2ccc(O)cc2O)CC1	218213070	SLJSIQXMXHVIRE-UHFFFAOYSA-N	263.337	2.654	70	20	CFID	
COc1ccc(COCCCN[C@H](C)[C@H]2CCOC2)cc1	161069049	JFMRVVNNKHUJKG-ZBFHGGJFSA-N	293.407	2.617	70	20	CFID	
CC(C)OCCCN(C[C@@H](C)O)c1ccccc1	160158473	SZAGFUOREJDBMH-CQSZACIVSA-N	251.370	2.689	70	20	CFID	
Cc1cc(C(=O)OCc2cc(C)nc(C)n2)cc(Cl)n1	160511636	WDXLOSVOIVILPU-UHFFFAOYSA-N	291.738	2.807	70	20	CFID	
CCCN1CCC(N(C)C(=O)NCC(CC)CC)CC1	160607176	LSIPCHLZQOFRBK-UHFFFAOYSA-N	283.460	2.938	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)CC(C)(C)c1ccccc1	160623849	QETJNWYPEWAWCB-CYBMUJFWSA-N	291.391	2.812	70	20	CFID	
CS[C@H](C)CC(=O)Nc1ccc(N2CCOC2=O)cc1	160737623	YBOPWZYSKMAJSG-SNVBAGLBSA-N	294.376	2.723	70	20	CFID	
Cc1cccc(CNC(=O)CCCc2nc(C3CC3)no2)c1	159428726	MCIOVCCSWSRKMR-UHFFFAOYSA-N	299.374	2.895	70	20	CFID	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCn1ccnc1	159837972	NPVJFFULTYRVHH-DZGCQCFKSA-N	273.355	2.900	70	20	CFID	
Cc1nc(-c2cc([C@H](C)NCCO)cs2)cs1	159695869	LHSNWLQHTBAJLQ-QMMMGPOBSA-N	268.407	2.823	70	20	CFID	
CCc1noc(C)c1CNc1ccc(C(N)=O)c(Cl)c1	159383363	JIRMETLCXRUZSL-UHFFFAOYSA-N	293.754	2.910	70	20	CFID	
COC(=O)CCN(CC(C)C)c1cc(C)nc(C2CC2)n1	159581480	ZLAVWNBZXVMLPN-UHFFFAOYSA-N	291.395	2.688	70	20	CFID	
CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]cnc12	159799156	JMLWMQFJWDTMPI-AAEUAGOBSA-N	289.404	2.967	70	20	CFID	
CCC1(C(=O)N2CCC(NCC3CC3)CC2)CCC1	159788886	AQCOUEQAOMJEHC-UHFFFAOYSA-N	264.413	2.557	70	20	CFID	
Cc1cc(C)cc([C@H](C)NCC(=O)NCC(F)(F)F)c1	160519505	QCLSMAXFFMKMKU-NSHDSACASA-N	288.313	2.633	70	20	CFID	
O=C(CCCNCc1ccc(Cl)cc1F)NC1CC1	160857124	KZEVNVNVZNUWPA-UHFFFAOYSA-N	284.762	2.628	70	20	CFID	
CC[C@H](COC)NC[C@@H](C)N(C)Cc1ccccc1	160888514	VZXPQFBCBRZYTF-GDBMZVCRSA-N	264.413	2.522	70	20	CFID	
C[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093527	PGEVYRNKIBXCLZ-ZJUUUORDSA-N	285.340	2.720	70	20	CFID	
Cc1nc(CCNCc2nn(C)c3ccccc23)cs1	218099151	HKIZDORZQFQRGP-UHFFFAOYSA-N	286.404	2.671	70	20	CFID	
Cc1c(C(=O)N2CCC(C)(O)CC2)oc2c(F)cccc12	161277030	JTQLOKKFVYIMGE-UHFFFAOYSA-N	291.322	2.867	70	20	CFID	
COc1ccc(CN(C)CCCN2CCCC2)c(OC)c1	161287939	SOJSZEWXSFTZOH-UHFFFAOYSA-N	292.423	2.622	70	20	CFID	
CS(=O)(=O)CCCCN1CCC[C@H]1Cc1ccccc1	161328484	OHLMOPFLTSHXIW-INIZCTEOSA-N	295.448	2.518	70	20	CFID	
Cc1noc(C)c1Cn1nc(C2CC2)nc1C1CC1	161427582	JEIIHEJGHJBQBF-UHFFFAOYSA-N	258.325	2.686	70	20	CFID	
CC(C)[C@@H](C(=O)N1CC[C@@H](N)C1)c1cccc(Cl)c1	160259549	IZIXYGNETYAWSY-ZIAGYGMSSA-N	280.799	2.639	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Cl)cc1F	160567533	QKADNEKANQKJFZ-MRVPVSSYSA-N	287.718	2.551	70	20	CFID	
C[C@@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1cccc(F)c1	160615985	WOGCFBALXCWOSV-VBNZEHGJSA-N	290.382	2.672	70	20	CFID	
CC[C@H](NC(=O)c1cccnc1OC)c1c(C)noc1C	160640457	PUVYIZJHPKVQNE-LBPRGKRZSA-N	289.335	2.576	70	20	CFID	
CCCC(=O)N1CCC[C@@H](C(=O)NCC2(CCC)CC2)C1	160675945	JPWVMMSPGOWWOJ-CQSZACIVSA-N	294.439	2.722	70	20	CFID	
CC(C)C[C@@H](CO)NC(=O)[C@H](c1ccccc1)C1CC1	160715103	JSJYOUZPXBNTLB-JKSUJKDBSA-N	275.392	2.703	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(OC)c2ncccc12	160837728	VVYXINQAUXPDSD-NSHDSACASA-N	288.347	2.997	70	20	CFID	
C[C@@H]1CN(C)CC[C@@H]1NC[C@@H]1CCc2ccccc21	160974467	VLLLFZPGHBUGSS-KMFMINBZSA-N	258.409	2.646	70	20	CFID	
CCCCNc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1O	159809846	WBUSJSZOGSLCED-HZPDHXFCSA-N	290.407	2.932	70	20	CFID	
C[C@H](CNC(=O)c1cccc2[nH]cnc12)Oc1ccccc1	159540324	ZQHPFVFBJSIZDZ-GFCCVEGCSA-N	295.342	2.760	70	20	CFID	
Cc1ccoc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159544412	JWJKNOSGCNBHCO-LBPRGKRZSA-N	263.337	2.810	70	20	CFID	
C[C@H](NCCCN1CCCC[C@H]1C)C1CCOCC1	160284830	XXXHHDJGIKUNBT-CABCVRRESA-N	268.445	2.656	70	20	CFID	
C[C@H](c1ccc(-n2ccnc2)cc1)S(=O)(=O)Cl	88251365	RJZGRTVNFBZRKD-SECBINFHSA-N	270.741	2.502	70	20	CFID	
CCC(CC)n1ncc(C(=O)NC[C@H]2CCCCO2)c1C	161143099	TWQHKINJSBMORJ-CQSZACIVSA-N	293.411	2.852	70	20	CFID	
CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1	161170197	XFHJOAQDTYYEQO-TZMCWYRMSA-N	299.374	2.792	70	20	CFID	
CCOc1cc(F)ccc1NC(=O)N[C@]1(C)CCOC1	161291542	LRRUINMTHAAWAL-CQSZACIVSA-N	282.315	2.525	70	20	CFID	
CC[C@H]1CCCC[C@H]1NCCC(=O)NC1CCCC1	161414271	MTOZYYUIPYRERR-DZGCQCFKSA-N	266.429	2.994	70	20	CFID	
COc1cccc(CCNC(=O)C[C@@H](C)c2ccncc2)c1	160058421	OCACPOWJPBBUEB-CQSZACIVSA-N	298.386	2.943	70	20	CFID	
CCc1noc(C)c1CSCC(=O)N[C@@H](C)C(C)C	160075846	AOZPDCOVUNANLK-JTQLQIEISA-N	284.425	2.939	70	20	CFID	
Nc1cccc(CNC(=O)C2C3CC4CC(C3)CC2C4)c1	160088881	FCCHOIABKWVQKP-UHFFFAOYSA-N	284.403	2.957	70	20	CFID	
COc1ccc(C)cc1[C@H](C)OC(=O)C[C@H]1COC(=O)C1	160117160	NQJVDPYMSCJFTC-RYUDHWBXSA-N	292.331	2.561	70	20	CFID	
COC[C@@H](C)SCCC(=O)N(C)c1ccccc1	160140727	SATYLUHKVNXNSM-GFCCVEGCSA-N	267.394	2.808	70	20	CFID	
O=C(NCc1ccccn1)NC1(c2cccc(F)c2)CC1	160818837	GOADRGJYZRZGBM-UHFFFAOYSA-N	285.322	2.709	70	20	CFID	
O=C(Nc1cnn(CC(F)F)c1)N(CC1CC1)CC1CC1	160901345	YPFFVGCKOYMRDI-UHFFFAOYSA-N	298.337	2.802	70	20	CFID	
Cc1c(NC(=O)[C@@]2(C)CCNC2)sc2c1CCCC2	160986721	XCLJIRQTXFTXRW-HNNXBMFYSA-N	278.421	2.873	70	20	CFID	
O=C(NCc1nccn1C(F)F)NCC1(C2CC2)CCC1	159810222	CBQNEKGUTWBDDT-UHFFFAOYSA-N	298.337	2.658	70	20	CFID	
CCC(CC)(CO)CNC(=O)Nc1cccc(C(C)=O)c1	159891793	NMXKUPVEMNEKBI-UHFFFAOYSA-N	292.379	2.809	70	20	CFID	
CCCN(C)C(=O)Nc1ccn(CCC(C)C)n1	159705688	VIMGYTHVKCZVSM-UHFFFAOYSA-N	252.362	2.803	70	20	CFID	
CC[C@H](NC[C@@H](C)N1CCc2ccccc21)c1cnn(C)c1	159903100	RDDKSSAIUYDYJA-PBHICJAKSA-N	298.434	2.912	70	20	CFID	
CC(C)NCCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	161054162	UHJOHTOMBVQBMD-IAGOWNOFSA-N	288.435	2.902	70	20	CFID	
C[C@@H](N)C(=O)Nc1cccc(Cl)c1SCC(F)F	161129454	GLWBPHARGNOLOA-ZCFIWIBFSA-N	294.754	2.983	70	20	CFID	
CC[C@H](C(=O)N[C@@H](COC)C1CC1)c1ccc(F)cc1	161328080	GJQSMQMAGOUWCV-GJZGRUSLSA-N	279.355	2.861	70	20	CFID	
CC[C@H](C)N(C)CCNC(=O)c1cnc(C(C)C)s1	161469077	SSTVIAIAPAYYGK-NSHDSACASA-N	283.441	2.727	70	20	CFID	
CC[C@@H](C)OCC(=O)NC1CCN(C2CCCCC2)CC1	160031004	SXXJNWYKECZOAW-CQSZACIVSA-N	296.455	2.715	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1	160304312	GTMXZMJPIFSZQR-NWDGAFQWSA-N	295.404	2.625	70	20	CFID	
C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)CC(C)(C)O1	160487734	XPIADYKWYZJTNP-OKPNEXGHSA-N	294.782	2.774	70	20	CFID	
CCCCS(=O)(=O)N1CC[C@H](c2ccccc2OC)C1	160554125	XCAJCZBBYNICGT-ZDUSSCGKSA-N	297.420	2.614	70	20	CFID	
Cc1ccnc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1	160744312	JWMPCTVFTVEZTH-UHFFFAOYSA-N	297.358	2.781	70	20	CFID	
CCCC1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1	160884292	NLOJJCRCHNFSKZ-XUJLQICISA-N	282.428	2.902	70	20	CFID	
CCOC(=O)C1(C(=O)N2CC[C@H](CC(C)C)C2)CCC1	159438265	LITFNZRMFXQJDJ-CYBMUJFWSA-N	281.396	2.614	70	20	CFID	
Cc1c([C@H](NC(=O)[C@H](C)N)C(C)C)oc2ccccc12	159695762	HEVHRLACGVYTRY-SMDDNHRTSA-N	274.364	2.902	70	20	CFID	
CCOc1ncccc1NC(=O)NC1C[C@@H](C)O[C@H](C)C1	159381689	LGJTXAGPXIHGQW-GHMZBOCLSA-N	293.367	2.558	70	20	CFID	
Cc1cc(NC(=O)CCc2nnc(C3CCCC3)o2)no1	159596268	JDHAXUIVKIMMRK-UHFFFAOYSA-N	290.323	2.595	70	20	CFID	
CC(C)CCS(=O)(=O)N[C@H]1CCCc2cc(N)ccc21	159456484	YWFWQBNGVNQDCA-HNNXBMFYSA-N	296.436	2.612	70	20	CFID	
C[C@H](NC1CC(C)(C)NC(C)(C)C1)C1CCOCC1	159640603	CZBYXMNMGZIIBD-LBPRGKRZSA-N	268.445	2.700	70	20	CFID	
CSc1nc2cc(OS(=O)(=O)F)ccc2s1	1887576889	FDLXAONGXCWPMC-UHFFFAOYSA-N	279.339	2.611	70	20	CFID	
COc1ccc([C@@H](C)NC(=O)NCC(C)C)cc1	217269411	ZCTPOHOVWBGJGU-LLVKDONJSA-N	250.342	2.711	70	20	CFID	
c1cnc2c(c1)CCC[C@@H]2N[C@H]1CCN2CCCC[C@@H]12	217739296	OAKIMWVKCOQFNH-JYJNAYRXSA-N	271.408	2.675	70	20	CFID	
COCCC1(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1	161170095	QPUPOCVJSLXCOF-UHFFFAOYSA-N	285.347	2.832	70	20	CFID	
CC1(C)CCC(CC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)CC1	161276895	NRQLHKWAKWHDSZ-KBPBESRZSA-N	294.439	2.753	70	20	CFID	
CSc1ccccc1NC(=O)c1cc(C)ncn1	161396538	JGHFLBGTCSYFQL-UHFFFAOYSA-N	259.334	2.759	70	20	CFID	
CC1(NC(=O)NCc2nc(C(F)(F)F)cs2)CCC1	161455897	MIUVOZCFIDWXFY-UHFFFAOYSA-N	293.314	2.904	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@](C)(CC)CCO)c1C	160010625	JWEZIDVHMRHBQN-HNNXBMFYSA-N	296.415	2.664	70	20	CFID	
Cc1cccc([C@H](NC(=O)[C@@H]2CCOC2)c2ccccn2)c1	160074683	ZJCQKFJDWGDQQA-WBVHZDCISA-N	296.370	2.632	70	20	CFID	
CCCN1CCC[C@H]1C(=O)N[C@@H](CC)c1c(C)noc1C	160255358	YOQRQRDELSJPGS-KBPBESRZSA-N	293.411	2.733	70	20	CFID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F	160427395	VQMMZMDUJCHOSI-CYBMUJFWSA-N	296.361	2.815	70	20	CFID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1cc(C)no1	160515088	UDZMCBHXLWCWFC-JQWIXIFHSA-N	267.373	2.678	70	20	CFID	
CSC[C@H](C)C(=O)N1CCc2c(F)cccc2C1	160928721	XYVPGSFRZZIAKP-JTQLQIEISA-N	267.369	2.710	70	20	CFID	
Cc1occc1CN(C)C(=O)c1ccc(CN(C)C)cc1	160976465	CMRKOLDSNJNOGV-UHFFFAOYSA-N	286.375	2.922	70	20	CFID	
COc1ccccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	159657608	IIMUARZOOYYOEX-BPUTZDHNSA-N	273.376	2.742	70	20	CFID	
CCN1CCCN(C(=O)N[C@@H](C)C2CCCCC2)CC1	159901324	PYBXXKXKSFHQBS-AWEZNQCLSA-N	281.444	2.692	70	20	CFID	
CCO[C@H]1C[C@@H](NC(=O)c2ccc(N)cc2)C12CCCC2	159552184	QLCQBHFVWAWDFK-CABCVRRESA-N	288.391	2.736	70	20	CFID	
Fc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	159598510	RZNLICIQXPIXKV-ZNMIVQPWSA-N	261.340	2.873	70	20	CFID	
C[C@H](c1ccccc1)[C@@H](F)CS(=O)(=O)Cl	1537958949	OWOZSYPVYNHISZ-SCZZXKLOSA-N	250.722	2.697	70	20	CFID	
C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1	218065771	HGOXCGRYVNMLKF-RDBSUJKOSA-N	298.427	2.543	70	20	CFID	
C[C@H](CC(=O)N1CCSC(C)(C)C1)c1ccncc1	161070682	LXXNSSPESDJPNH-GFCCVEGCSA-N	278.421	2.929	70	20	CFID	
CCC(CC)(CN)C(=O)N[C@H]1CCCOc2ccccc21	161202318	VECJXBGXSJAZGL-AWEZNQCLSA-N	290.407	2.782	70	20	CFID	
C[C@@H]1Sc2ccccc2N(CC(=O)N(C)C2CC2)[C@H]1C	161261011	UXAXFFUUENEMSG-RYUDHWBXSA-N	290.432	2.997	70	20	CFID	
C/C(=C\c1ccc(Cl)cc1)CNC[C@H](C)CO	160120218	SQHBZSUTCKOUPO-VNKGSWCUSA-N	253.773	2.961	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](C)[C@@H]1C	160137617	ONYFCCYXLCASCZ-STQMWFEESA-N	284.400	2.548	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@H](C)c1ccco1	160199214	GLPCPLKHSKNVJX-GFCCVEGCSA-N	296.367	2.714	70	20	CFID	
CCCCS[C@@H](C)C(=O)NCCc1cccc(O)c1	160235294	IOPGMVKFVPVEOB-LBPRGKRZSA-N	281.421	2.973	70	20	CFID	
CNC(=O)CCCN(C)C(=O)Nc1cccc(C(C)C)c1	160284400	IHCAPCFQQKCEGV-UHFFFAOYSA-N	291.395	2.800	70	20	CFID	
CC[C@@H](NCC(=O)N1CCCC1)c1ccc(F)cc1F	160700173	CGAZTRNQDRXRSR-CQSZACIVSA-N	282.334	2.628	70	20	CFID	
CCOC(=O)C1(C(=O)NC[C@H]2CCC[C@H](C)C2)CCC1	160785303	IYAIDDRPKIDSIT-STQMWFEESA-N	281.396	2.662	70	20	CFID	
CCS[C@@H]1CCC[C@H](N[C@@H]2CCN(C)C[C@@H]2C)C1	159405614	IWIPOTOUORYIKL-BYNSBNAKSA-N	270.486	2.981	70	20	CFID	
C[C@H]1CCC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@@H]1C	159645994	QINQYOQUFFGASS-DMDPSCGWSA-N	286.379	2.523	70	20	CFID	
CCCCCc1nnc(NC(=O)N[C@]2(C)CCOC2)s1	159528848	KPXKBAZXEKENKF-CYBMUJFWSA-N	298.412	2.571	70	20	CFID	
C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H]1CCOC1	159378627	KJPABBKZNFSBJQ-GHMZBOCLSA-N	282.771	2.831	70	20	CFID	
CCCn1nccc1CNCCN(C(C)C)C(C)C	159954964	JDWUUSZOBJFYJS-UHFFFAOYSA-N	266.433	2.502	70	20	CFID	
O=C(CCc1ccccc1Cl)NCC1(CO)CCCC1	160329048	NXDPTFIJCVDYEQ-UHFFFAOYSA-N	295.810	2.942	70	20	CFID	
CC(C)C1(CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1	160818864	DYXCPGKMKJBJPT-DZGCQCFKSA-N	274.408	2.875	70	20	CFID	
C[C@H](CN[C@H]1CCN(C)[C@H](C)C1)COCc1ccccc1	161295762	XNTQTEOTEOZBPC-NUJGCVRESA-N	290.451	2.912	70	20	CFID	
Cc1c(F)cccc1NCc1nnc2n1CCCC2	217318651	MODWOZZWUVXDCV-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
Cc1ccc(NC(=O)NCCCC(=O)OC(C)C)c(F)c1	161036551	LGGSZCABWMVQDF-UHFFFAOYSA-N	296.342	2.987	70	20	CFID	
CC[C@H](C(=O)Nc1c[nH]c(=O)c(C)c1)c1ccc(F)cc1	161410423	JCVGZZLHCWVNCT-AWEZNQCLSA-N	288.322	2.955	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)C1	161462048	QYOFRDXQOWMYOQ-BQBZGAKWSA-N	276.262	2.588	70	20	CFID	
Cc1ccc(F)c(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	160027062	YBIWQJHKFZDEGO-PHIMTYICSA-N	266.316	2.559	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1	160065684	FFXQKJDYBNVBQP-ZIAGYGMSSA-N	298.427	2.938	70	20	CFID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(C(C)=O)cs1	160189420	WUBXHHUPRZSZBX-PRHODGIISA-N	252.339	2.720	70	20	CFID	
CC(C)OCC[S@@](=O)c1ncc(C(C)(C)C)s1	160452468	XMIWEUUOPJXNBV-KRWDZBQOSA-N	275.439	2.973	70	20	CFID	
CCCOc1cccc(C(=O)N[C@H](C)CC(=O)OCC)c1	160701185	LWWUJMBBFRXMMW-GFCCVEGCSA-N	293.363	2.547	70	20	CFID	
Cc1ccc(C(=O)N[C@@H](C)CC(=O)c2cccs2)cn1	160753483	PHLNOWFCYSIPSR-NSHDSACASA-N	288.372	2.843	70	20	CFID	
CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[C@@H](N)C2)cc1	160867725	GZOPLOCZLXXZPH-GDBMZVCRSA-N	288.435	2.770	70	20	CFID	
C[C@@]1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCCO1	160948729	WUCMQUACFQSQNM-HIFRSBDPSA-N	281.396	2.554	70	20	CFID	
C[C@H](Cc1cccc(F)c1)C(=O)NCC1(N)CCCCC1	159628040	HASZMBACOBXFNH-CYBMUJFWSA-N	292.398	2.782	70	20	CFID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C	159824010	MEJPBNQDUIMAOP-YPMHNXCESA-N	262.353	2.536	70	20	CFID	
C[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC[C@@H]1O	159689566	HQNAYWXLRKDHJR-ZLDLUXBVSA-N	251.345	2.980	70	20	CFID	
CCCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	159903919	CHERWLBMVPFNNH-HOCLYGCPSA-N	289.423	2.701	70	20	CFID	
CCN(CCCO)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	160551743	HQOIVBMIEJSIRW-MNOVXSKESA-N	281.318	2.586	70	20	CFID	
Cc1ccc(OCCS(=O)(=O)Cl)c(Cl)c1	112155545	VOADNLHIIDVQAK-UHFFFAOYSA-N	269.149	2.596	70	20	CFID	
C[C@H](CCOC(C)(C)C)CCS(=O)(=O)Cl	114640313	RTNIHBJBVLBZSV-SECBINFHSA-N	256.795	2.786	70	20	CFID	
CCC(CC)(CN)C(=O)NCC1(c2cccc(F)c2)CC1	161241731	HVDPXHRUGPTZBA-UHFFFAOYSA-N	292.398	2.739	70	20	CFID	
CC(C)NCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C	161245470	SGMCAOYZKNDUMN-ZFWWWQNUSA-N	292.398	2.918	70	20	CFID	
COc1cc(C)ccc1CNC(=O)NC1CCCC1	161434313	OBZGNXDCERWEJT-UHFFFAOYSA-N	262.353	2.745	70	20	CFID	
CCN(C[C@H]1CCCO1)C(=O)c1cccc(C)c1F	161488931	LSRRLAUGYMHXBV-GFCCVEGCSA-N	265.328	2.775	70	20	CFID	
Cc1nc(C)c(C(=O)N[C@H]2CCOC3(CCCC3)C2)s1	160180845	TWCOCTBZRXRARK-LBPRGKRZSA-N	294.420	2.982	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1	160228953	OOSCEHJSMWXKGT-WMLDXEAASA-N	286.375	2.954	70	20	CFID	
Cc1ccc(-c2nnc(NC(=O)c3ccccc3)[nH]2)o1	160434025	WPEUFHCJBTXSDX-UHFFFAOYSA-N	268.276	2.625	70	20	CFID	
C[C@H]1CC[C@@H](NC(=O)N(C)Cc2cccn2C)[C@H](C)C1	160450630	FIONXFQQLBWSOB-GZBFAFLISA-N	277.412	2.991	70	20	CFID	
CCCC1(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)CC1	160621223	IFWIEJIOPGAHDA-ZDUSSCGKSA-N	286.375	2.809	70	20	CFID	
Cc1csc(CCCCN[C@H](C)c2cnn(C)c2)n1	160672628	AEFBRJFUBNDMIU-GFCCVEGCSA-N	278.425	2.859	70	20	CFID	
CC(C)[C@H](CCO)NC(=O)CC(C)(C)c1ccccc1	160686652	JYVAZCMTLKQAFP-HNNXBMFYSA-N	277.408	2.878	70	20	CFID	
CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)c1cccs1	160916414	KTAMYVOZNAILLO-LBPRGKRZSA-N	296.436	2.820	70	20	CFID	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)C(C)(C)C	159802974	FRONBGOBJUXJHC-CORIIIEPSA-N	292.398	2.904	70	20	CFID	
CS[C@H](C)CC(=O)NCCCN1C[C@@H](C)C[C@H](C)C1	159483179	WMDONZQCJWQEGT-MELADBBJSA-N	286.485	2.612	70	20	CFID	
CO[C@H](CNC(=O)c1ccc(N(C)C)cc1F)C(C)(C)C	159498254	XIPYYFNZWBMTTM-CQSZACIVSA-N	296.386	2.683	70	20	CFID	
COc1ccc(C)cc1[C@H](C)NCCCN1CCCC1=O	159513147	KBZFQXHNLINLCE-AWEZNQCLSA-N	290.407	2.667	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(Cl)cc1C	159554170	PLDMQBWXTRWWCB-JTQLQIEISA-N	283.755	2.720	70	20	CFID	
CCO[C@H](c1ccccc1)c1noc(CCC(C)(C)N)n1	159966453	ZAWPOWFYSAMGHM-CQSZACIVSA-N	289.379	2.865	70	20	CFID	
CC[C@H]1CCC[C@@H]1NC(=O)CCCNC(=O)OC(C)(C)C	159784786	VEOQVKGKHJWMJK-STQMWFEESA-N	298.427	2.986	70	20	CFID	
Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)cc1	160123650	RYBXYJVPFWMYEB-LBPRGKRZSA-N	291.372	2.740	70	20	CFID	
COc1ccccc1C(=O)Cn1c(C)nc2c1CCCC2	216669269	BABQOKNJQRROTC-UHFFFAOYSA-N	284.359	2.962	70	20	CFID	
COC[C@@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1	160206475	DVEFCYLFNHDTJW-VXGBXAGGSA-N	267.394	2.737	70	20	CFID	
O=S(=O)(Cl)c1c[nH]c2ccc(Cl)cc12	106958698	POQFPVLKNKMPJW-UHFFFAOYSA-N	250.106	2.749	70	20	CFID	
CCn1cnnc1CNCc1ccc2ccccc2c1	218224128	MKZCRRVAZPSWKU-UHFFFAOYSA-N	266.348	2.741	70	20	CFID	
COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)ncn2)c1	161360878	VIDXTZPJEAEXHB-INIZCTEOSA-N	297.358	2.771	70	20	CFID	
C[C@@H]1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[nH]2)C1	161462185	QYOFRDXQOWMYOQ-RNFRBKRXSA-N	276.262	2.588	70	20	CFID	
Cc1nn(C)c2ncc(NC(=O)NCC3(C4CC4)CC3)cc12	160094407	WGMHISPMCJOECU-UHFFFAOYSA-N	299.378	2.588	70	20	CFID	
C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cccnc1	160154734	SWDDFDSIMLDVCU-CZUORRHYSA-N	287.407	2.666	70	20	CFID	
NCC[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160200470	CARCSYOYBMAKPN-IKXAHOJESA-N	290.451	2.789	70	20	CFID	
CSC[C@H](CCO)N[C@H]1c2ccccc2C[C@H]1C	160236338	BYYRBPVKTXEXHP-OSAQELSMSA-N	265.422	2.624	70	20	CFID	
COc1cc(C(=O)N[C@@H]2CCCc3sccc32)on1	160397969	VQTGPSQMVUETKL-SECBINFHSA-N	278.333	2.552	70	20	CFID	
C[C@H](OCC1CC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160522281	NOVHIKUTEBXNKE-ZFWWWQNUSA-N	295.423	2.800	70	20	CFID	
CCOCCC1(CNC(=O)[C@H](CC)OCC)CCC1	160543038	RLCKLKVBUVIERA-ZDUSSCGKSA-N	271.401	2.515	70	20	CFID	
CC1(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCCCC1	160594791	JDNURWNKJKFEAR-KBPBESRZSA-N	280.412	2.966	70	20	CFID	
COc1ccc([C@@H](C)N(C)C(=O)[C@H]2CCCCO2)cc1	160744525	NMFXVSNYNGFCTM-IUODEOHRSA-N	277.364	2.784	70	20	CFID	
CC(C)[C@@H](CC1CCCC1)C(=O)N1CCCNCC1	160843583	ACTNBTMPOJEZTJ-OAHLLOKOSA-N	266.429	2.661	70	20	CFID	
CC[C@H](COC)N[C@@H](CCCO)c1ccccc1	160883617	MLAJPVOYFWJPJU-CABCVRRESA-N	251.370	2.515	70	20	CFID	
C[C@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)c1cccs1	159400318	ILNVKPPQXKUGCW-UONOGXRCSA-N	292.448	2.938	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)c(F)c1	159629399	MWELLNJVLNZWFE-BONVTDFDSA-N	298.333	2.582	70	20	CFID	
CCOc1cccc(CN[C@@H](COC)c2ccc(C)o2)n1	159477241	RBHCIVRPTKVDOU-AWEZNQCLSA-N	290.363	2.859	70	20	CFID	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C[C@@H]2CCCN2)C1	159895498	MFKKMGZFJIPIGE-OAGGEKHMSA-N	286.419	2.842	70	20	CFID	
CCCCc1nc(CN(C)OCc2ccccc2)no1	159624962	NTSMXZTXFLJWDN-UHFFFAOYSA-N	275.352	2.976	70	20	CFID	
N[C@@H](CNc1nnc(C(F)(F)F)s1)c1ccccc1	160364734	IPOSFMUYZMWYSJ-QMMMGPOBSA-N	288.298	2.669	70	20	CFID	
COc1ccc(C(=O)Nc2ccc(OC)c(O)c2)c(F)c1	218437849	ZAPDXNNRLCQANP-UHFFFAOYSA-N	291.278	2.801	70	20	CFID	
Cc1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)cc1C	218757118	JHENJNGHPBYNLD-KBPBESRZSA-N	277.389	2.785	70	20	CFID	
CCCCN(C)C(=O)Nc1cccc(-c2ncn(C)n2)c1	161475336	RUMQXBBJTGZSQG-UHFFFAOYSA-N	287.367	2.746	70	20	CFID	
FC(F)(F)c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nn1	160355761	LMXOSSFWZQIZAT-ZJUUUORDSA-N	287.285	2.865	70	20	CFID	
COC[C@@H](NCCCc1nc2c(s1)CCCC2)C1CC1	160636907	HHCBXVVEOYROLX-CQSZACIVSA-N	294.464	2.969	70	20	CFID	
CC(C)NCCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C	160904437	XWMDIWXIRZEXJQ-GDBMZVCRSA-N	274.408	2.779	70	20	CFID	
CC[C@H](N)C(=O)NCCCc1ccc(C(C)C)cc1	159607960	QNNGACDGBXZJNS-HNNXBMFYSA-N	262.397	2.596	70	20	CFID	
Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c[nH]c1=O	159420442	WWHBWNKQMIANBN-UHFFFAOYSA-N	286.375	2.838	70	20	CFID	
CCOCCCN1CCN(CC2CCCCC2)CC1	159702434	UCMCLFKJHHWKBN-UHFFFAOYSA-N	268.445	2.611	70	20	CFID	
Cc1ccoc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159544269	JWJKNOSGCNBHCO-GFCCVEGCSA-N	263.337	2.810	70	20	CFID	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@H]1CCOC1	159365159	CDXHEQUBVWMNOG-MFKMUULPSA-N	282.771	2.831	70	20	CFID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC1CC1)CC1CC1	159993692	PPMQFEIOFRBPSS-ABAIWWIYSA-N	263.381	2.640	70	20	CFID	
CCCn1nccc1CNCCc1cccc(F)c1	160002687	CPBDWAYAXQCMLZ-UHFFFAOYSA-N	261.344	2.765	70	20	CFID	
CCSCC[C@@H](C)NC(=O)c1ccc(C(N)=S)cc1	160248246	VIVDWHBOZGQQBF-SNVBAGLBSA-N	296.461	2.582	70	20	CFID	
C[C@H]1[C@@H](C)SCCN1CCCN1CCCCC1	161160455	MUSPACNTITXQCK-UONOGXRCSA-N	256.459	2.688	70	20	CFID	
COc1ccc(C(=O)NCc2cccs2)c(F)c1	218436463	CVIKAEUOEVOFPG-UHFFFAOYSA-N	265.309	2.826	70	20	CFID	
CO[C@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1	161170831	SMAVKPNNSHLNEP-RKDXNWHRSA-N	293.335	2.518	70	20	CFID	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C(C)(F)F	298020308	UDXUPAPLRQUZFY-SSDOTTSWSA-N	295.282	2.575	70	20	CFID	
CCOc1ccc(CNCCN(C)[C@H](C)CC)cc1	217386004	QTBPZDWGEGIULR-CQSZACIVSA-N	264.413	2.905	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161147378	SWTBTFGYFDXUIR-UPJWGTAASA-N	280.412	2.822	70	20	CFID	
C[C@@H]1CCC[C@H](NC(=O)N[C@@H](CCO)C(C)(C)C)[C@@H]1C	161174719	DNCSSYVHZMVFJX-MQYQWHSLSA-N	284.444	2.907	70	20	CFID	
C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)C1CC1	161487440	MSQGNRWTZAKCDJ-NEPJUHHUSA-N	296.411	2.500	70	20	CFID	
CN(CCOc1ccc2ccccc2c1)[C@H](CN)C1CC1	160139485	MDVDHZRPHRKQHZ-GOSISDBHSA-N	284.403	2.888	70	20	CFID	
COC(=O)c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1C	160355651	GOMBMFJHKPGMAZ-GXTWGEPZSA-N	290.363	2.546	70	20	CFID	
CCCc1cc(C(=O)N[C@@H](CC)c2c(C)noc2C)[nH]n1	160591368	IBKWLADFWLBULU-LBPRGKRZSA-N	290.367	2.848	70	20	CFID	
Cc1nc(COC(=O)c2ccnc(F)c2)c(C)s1	160802791	OTTFYUYDWNPISB-UHFFFAOYSA-N	266.297	2.651	70	20	CFID	
CCC[C@@]1(C)CCCN(C(=O)CCNC(C)C)C1	160932930	GIMREZPCWIBBLJ-HNNXBMFYSA-N	254.418	2.803	70	20	CFID	
CC[C@H](C)NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	160968329	VOVCOCKDUMOWBH-DZGCQCFKSA-N	292.423	2.886	70	20	CFID	
C[C@H](C(=O)N(C)C[C@H]1CCCOC1)c1ccsc1	159450001	ANYSRWPBGHYVAP-NWDGAFQWSA-N	267.394	2.737	70	20	CFID	
O=C(CCc1ccccn1)N[C@@H]1CCOC2(CCCC2)C1	159866639	KXGCWKMNDWZFTC-OAHLLOKOSA-N	288.391	2.622	70	20	CFID	
CN(C(=O)Nc1ccc(F)c(F)c1)[C@H]1CCSC1	159384252	BQMRGEYIBDXUIP-VIFPVBQESA-N	272.320	2.934	70	20	CFID	
CCCNC(=O)CCc1ccc(Cl)c(OC)c1	159592005	OYWWWNOZPKSPFV-UHFFFAOYSA-N	255.745	2.807	70	20	CFID	
OCC1(CNCc2ccc(OC(F)F)cc2)CCCC1	160108233	LZPHUTICQROLNG-UHFFFAOYSA-N	285.334	2.930	70	20	CFID	
CC(C)c1cc(=O)n(CC(=O)c2cccc(Cl)c2)cn1	160769222	PHITULSASDREQC-UHFFFAOYSA-N	290.750	2.903	70	20	CFID	
Cc1ccccc1OCCN(C)C[C@H](O)Cc1ccccc1	218763739	BGEHAYUHZQALNM-GOSISDBHSA-N	299.414	2.909	70	20	CFID	
CC(C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1337519652	DPUKPLXMEATIEU-JTQLQIEISA-N	287.356	2.509	70	20	CFID	
CCC1(CNC(=O)Nc2cc(C(=O)OC)cs2)CC1	160777253	ISLUEKSATVQKCI-UHFFFAOYSA-N	282.365	2.846	70	20	CFID	
O=C([C@@H]1CCCOC1)N1CCc2c(Cl)cccc21	161442794	QTIWAHFLVWURJR-SNVBAGLBSA-N	265.740	2.656	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1ccc(Br)cn1	160069669	FAEAVSGKHGNSOR-MRVPVSSYSA-N	287.157	2.598	70	20	CFID	
Cc1nc2c(c(NCCCC(=O)OC(C)C)n1)CCCC2	160258428	QOFPWAOIBQIZKY-UHFFFAOYSA-N	291.395	2.808	70	20	CFID	
CC[C@H](NCCN1CCC(N(C)C)CC1)C1CCCCC1	160287287	SSHQTHFNOPUMLC-SFHVURJKSA-N	295.515	2.961	70	20	CFID	
CCCN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CC1	160403750	QIIMBARMQIXGTR-JSGCOSHPSA-N	266.385	2.528	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cc(F)cc(F)c1)CC2	160456742	CIIWJYHUSVXHPK-OTYXRUKQSA-N	292.333	2.530	70	20	CFID	
CCc1nnc(COc2cccc(-c3noc(C)n3)c2)o1	160706211	IEBPBJIRVWVDRU-UHFFFAOYSA-N	286.291	2.569	70	20	CFID	
C[C@H](CCO)CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl	160994403	IKEUDSHQBFXBPB-RTXFEEFZSA-N	281.783	2.578	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc(C(C)=O)cn1C	159824424	MEJPBNQDUIMAOP-WCQYABFASA-N	262.353	2.536	70	20	CFID	
CC(C)CC1(CNC(=O)c2ncn(-c3ccccc3)n2)CC1	159656220	PRETZANXKJEDDP-UHFFFAOYSA-N	298.390	2.823	70	20	CFID	
CC(C)CONC(=O)Nc1ccc(-c2csnn2)cc1	159542768	ULTJTXRNLKXBFP-UHFFFAOYSA-N	292.364	2.914	70	20	CFID	
c1coc(CNCc2ccc(OCC3CC3)nc2)c1	159956492	OOEKQEKPOMHUSI-UHFFFAOYSA-N	258.321	2.753	70	20	CFID	
CC(C)(C)OC(=O)CNc1nc(C(C)(C)C)ns1	159512167	OOMKMEQPNGSRBT-UHFFFAOYSA-N	271.386	2.589	70	20	CFID	
CC(=O)C[C@H](C)NC(=O)COc1ccc(Cl)cc1C	159962659	BAXFDKRLCAAMTP-JTQLQIEISA-N	283.755	2.511	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1cccc(OCC(C)C)c1	160063724	YDLBXLMDNJAMQU-AWEZNQCLSA-N	279.380	2.612	70	20	CFID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1	160966772	SWUQHLTVTBPNKV-UWVGGRQHSA-N	287.190	2.993	70	20	CFID	
CC(C)CNC(=O)Nc1cc(Br)ccn1	217269577	HTDVFMLZHMFGIX-UHFFFAOYSA-N	272.146	2.622	70	20	CFID	
CCOCCCCNC(=O)c1cc(F)cc2cccnc12	161094253	GUDZZTGFCIMGSP-UHFFFAOYSA-N	290.338	2.920	70	20	CFID	
CC1(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)CCC1	161290780	NVWYNZHLAYGKDV-AWEZNQCLSA-N	287.407	2.897	70	20	CFID	
O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCCCO1	160127562	BJMDDVLGGICMBS-CHWSQXEVSA-N	277.389	2.909	70	20	CFID	
CCc1nc(CN[C@H](C)c2ccc(OC(F)F)cc2)n[nH]1	160310221	OJTYOKFSSLJLIN-SECBINFHSA-N	296.321	2.819	70	20	CFID	
CCN(Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1	160530828	UXVIWXIWJOZSMU-MRXNPFEDSA-N	295.448	2.621	70	20	CFID	
Cc1c([C@H](C)NCC(C)(C)O)cnn1-c1ccc(F)cc1	160607921	RJAPSFGWLXHJGU-NSHDSACASA-N	291.370	2.741	70	20	CFID	
O=C(NCCc1cc2ccccc2o1)NCc1ccncc1	160779358	XXNAOYZUJARXNB-UHFFFAOYSA-N	295.342	2.870	70	20	CFID	
CC(C)CC[C@H](C)NC(=O)NCCCC(=O)OC(C)C	159467752	DTWGUBVKXBLVLL-ZDUSSCGKSA-N	286.416	2.842	70	20	CFID	
O=C(Nc1cc(-c2ccccc2)on1)[C@@H]1CCCCO1	159723571	BZTQASMBAFLBFL-LBPRGKRZSA-N	272.304	2.849	70	20	CFID	
COc1cccc2cc(CN[C@]3(C)CCOC3)oc12	160190390	SUXLMSGURLFQEU-OAHLLOKOSA-N	261.321	2.710	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)C1=CCCC1	857675005	YCBPUKKCKSHRCJ-UHFFFAOYSA-N	287.287	2.533	70	20	CFID	
CCCCN(CC)C(=O)c1cccc(S(=O)(=O)F)c1	1120866615	SVZSNNBOALVRCH-UHFFFAOYSA-N	287.356	2.607	70	20	CFID	
O[C@@H](CNc1cnccn1)c1cc2ccccc2s1	161055353	XWOFPPIFRRAPJH-NSHDSACASA-N	271.345	2.837	70	20	CFID	
Cc1csc(CNC(=O)c2nc3ccccc3s2)n1	161152834	WDCSPMFNGCJLTM-UHFFFAOYSA-N	289.385	2.991	70	20	CFID	
CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCO1	161218904	LZCHNAMLQKLIJI-HNNXBMFYSA-N	261.365	2.647	70	20	CFID	
COC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2F)C1	160204547	MFXUEYYTNUPSDJ-KBPBESRZSA-N	293.382	2.889	70	20	CFID	
CC[C@@H](C)C(=O)Nc1ccc(C(=O)NC)cc1Cl	160213250	YKFOUVOERXLBDY-MRVPVSSYSA-N	268.744	2.684	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(N2CCCCC2)cn1	160546742	ATDCOJQYGLBOMZ-ZDUSSCGKSA-N	291.395	2.826	70	20	CFID	
CC(C)[C@H](Cc1ccc(F)cc1)NCC(C)(C)O	160624222	GLEWTKXHRCSTAZ-AWEZNQCLSA-N	253.361	2.753	70	20	CFID	
CCn1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cn1	160828129	OIQBMJKDLBUJKR-AWEZNQCLSA-N	291.395	2.515	70	20	CFID	
C[C@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cnccn1	160864157	IPVRAQYKWIQQGC-CABCVRRESA-N	284.407	2.648	70	20	CFID	
CCOCCCNC(=O)NC1(c2cccc(F)c2)CC1	160874063	DGDYAABWFNEKRV-UHFFFAOYSA-N	280.343	2.541	70	20	CFID	
O=S(=O)(CCC1CC1)Nc1c(F)c(F)cc(F)c1F	160974472	QTXLBSNWESUDKZ-UHFFFAOYSA-N	297.273	2.785	70	20	CFID	
CS[C@H](C)CC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1	160992172	ZGVCRZHSPVVLPW-XJFOESAGSA-N	286.485	2.611	70	20	CFID	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CNCC2CC2)C1	159434587	IQLNWAGOJOJWKY-LRDDRELGSA-N	290.382	2.735	70	20	CFID	
CS[C@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F	159964673	UHNHBFSUOZZACK-APPZFPTMSA-N	279.283	2.980	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@H](C)Cc1ccccc1C	159393005	KLXLTQLPWVJBGW-ZIAGYGMSSA-N	263.381	2.857	70	20	CFID	
Cc1cc(C)c(C)c(OCCS(=O)(=O)Cl)c1	103977163	NCEZPHJOISVRIL-UHFFFAOYSA-N	262.758	2.559	70	20	CFID	
O=C(NC[C@@H]1CCCO1)Nc1c(F)cccc1Cl	217313072	MMOITRSWXUWXOV-QMMMGPOBSA-N	272.707	2.780	70	20	CFID	
Cc1noc(CNCC2C3CC4CC(C3)CC2C4)n1	216836354	AZEOXVWJZFVMCI-UHFFFAOYSA-N	261.369	2.540	70	20	CFID	
COc1ccccc1CCNCc1c(C)noc1C	218596617	WZXWIDWRNASIPD-UHFFFAOYSA-N	260.337	2.632	70	20	CFID	
CC(C)c1ccccc1OCC(=O)N1CCC(C)(O)CC1	161244236	NFZSMOGUTMZLKM-UHFFFAOYSA-N	291.391	2.562	70	20	CFID	
CCCNC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1	161384856	PNNFYOVYAVVGSP-DLBZAZTESA-N	286.419	2.781	70	20	CFID	
CCC1(C(=O)N(C)c2ccc3c(c2)OCO3)CCC1	160242063	PLFSRNYHGVSDRU-UHFFFAOYSA-N	261.321	2.958	70	20	CFID	
C[C@H]1CCC[C@H](C(=O)NCCN2CCCCCC2)C1	160222084	XOLCUAVEMPATRO-GJZGRUSLSA-N	266.429	2.805	70	20	CFID	
CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	160344702	QTJYJCOCLKCQCT-LNSITVRQSA-N	290.407	2.778	70	20	CFID	
CC[C@@H](NC(=O)c1cccnc1C)c1c(C)noc1C	160413345	PSUAFXJUPNESEL-CYBMUJFWSA-N	273.336	2.876	70	20	CFID	
CCO[C@@H]1C[C@@H](N(C)C(=O)CCCCCCN)C1(C)C	160498577	IKUSHIKWOXUYHW-ZIAGYGMSSA-N	284.444	2.558	70	20	CFID	
C[C@H](CO)N(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F	160585518	DQQIIXMOHZIYBU-PWSUYJOCSA-N	289.297	2.562	70	20	CFID	
COC[C@@H](N[C@@H](CCCO)c1ccccc1)C(C)C	160849420	CSNSQXFYAGECPS-JKSUJKDBSA-N	265.397	2.761	70	20	CFID	
CS[C@H](C)CC(=O)NCC(C)(C)N1CCC[C@H](C)C1	160896338	RCCPKKNLYGDRRJ-QWHCGFSZSA-N	286.485	2.755	70	20	CFID	
Cc1noc(C)c1N(C)C(=O)Cc1cc(F)c(F)cc1F	160955572	PKLJYMRXYXXPHX-UHFFFAOYSA-N	298.264	2.914	70	20	CFID	
CCOC(=O)c1ccc(CNC(=O)C[C@H](C)SC)cc1	160960344	ZFWIXDNRADVRAD-NSHDSACASA-N	295.404	2.621	70	20	CFID	
O=C(CCc1ccncc1)N[C@@H]1CCOC2(CCCC2)C1	159445804	AIBJBDPVFUTIGL-OAHLLOKOSA-N	288.391	2.622	70	20	CFID	
COCCCCCNC(=O)Nc1ccnc(C)c1Cl	159463423	MZWCSYNGOCBIPZ-UHFFFAOYSA-N	285.775	2.982	70	20	CFID	
CCc1ncsc1NC(=O)c1c(CC)nn(C)c1Cl	159387025	BKDNZTAQIUZSQR-UHFFFAOYSA-N	298.799	2.907	70	20	CFID	
Nc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CCCC1	159440868	XBPAGWDELWSKJU-OAHLLOKOSA-N	273.380	2.888	70	20	CFID	
CCCn1nccc1CN[C@@H](C)c1cccc(O)c1	160084250	UUHMBJFDOAFUQV-LBPRGKRZSA-N	259.353	2.850	70	20	CFID	
CCN(CCNCc1cccc2c1OC(C)(C)C2)C1CC1	217797987	NHXCMOSNDCWMJE-UHFFFAOYSA-N	288.435	2.974	70	20	CFID	
CC[C@@H](C)N(C)CCNCc1ccc(OC)c(OC)c1	217383180	SKZSUSZYCAOSBJ-CYBMUJFWSA-N	280.412	2.524	70	20	CFID	
COc1cccc2cc(CNC[C@@](C)(O)CSC)oc12	217864712	BRYYUNKUODMQGI-OAHLLOKOSA-N	295.404	2.645	70	20	CFID	
CC(C)(C)C[C@@H](O)CNc1ncnc2c1CCCC2	217805836	VTWHQLTWYDKORR-LLVKDONJSA-N	263.385	2.564	70	20	CFID	
CCOCCC1(CNC(=O)CCc2ccccn2)CCC1	161429183	OBJRFKQDTMIVBK-UHFFFAOYSA-N	290.407	2.727	70	20	CFID	
CCC[C@H](C(=O)Nc1n[nH]c2c1c(CC)nn2C)C(C)C	160112685	NWQZFWAPNNJHIN-JTQLQIEISA-N	291.399	2.870	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1	160229091	OOSCEHJSMWXKGT-YOEHRIQHSA-N	286.375	2.954	70	20	CFID	
C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]1CN	160351885	ZHAVJDFJUGCRCE-QWRGUYRKSA-N	298.839	2.770	70	20	CFID	
Cc1cccc2c1N(C(=O)[C@@H]1CCCCO1)CCC2	160401248	BWWUMNRXILERMH-AWEZNQCLSA-N	259.349	2.843	70	20	CFID	
COCCOc1ccccc1CN[C@H]1CCOC(C)(C)C1	160611938	HMCKHLTXYROCQI-HNNXBMFYSA-N	293.407	2.759	70	20	CFID	
C[C@H]1CCCN(C(C)(C)CNC(=O)[C@@H]2CC2(C)C)C1	160691758	QEMVXLFZZLXNSF-STQMWFEESA-N	266.429	2.659	70	20	CFID	
CCCOc1cccc(C(=O)N[C@@H](C)CC(=O)OCC)c1	160701033	LWWUJMBBFRXMMW-LBPRGKRZSA-N	293.363	2.547	70	20	CFID	
CC(C)Sc1ccccc1C(=O)NC[C@@H](C)CCO	160946886	VPCPIAOXTXFLML-LBPRGKRZSA-N	281.421	2.935	70	20	CFID	
Cc1csc([C@@H](NCCC(C)(C)O)C2CC2)n1	159614491	AXJMRGMVPRREKI-NSHDSACASA-N	254.399	2.653	70	20	CFID	
O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](O)C1	159518648	UGMMLUOSQCVOST-GFCCVEGCSA-N	295.338	2.517	70	20	CFID	
CC(C)OCCC(=O)NCCc1cc2ccccc2[nH]1	159520254	WZYFPWJMYVTPCN-UHFFFAOYSA-N	274.364	2.642	70	20	CFID	
Cc1ccsc1CNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159728015	POLRMVDAMOZQTN-KBPBESRZSA-N	292.448	2.937	70	20	CFID	
CC[C@H](C)OCC(=O)Nc1ccc(C)cc1OCCOC	159565232	LXBUMTVSKOKTHJ-ZDUSSCGKSA-N	295.379	2.774	70	20	CFID	
CNCC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1	159780535	HSQZOOOXOMQNBE-CJNGLKHVSA-N	260.381	2.514	70	20	CFID	
CCn1nccc1CN[C@H]1CCCN(Cc2ccccc2)C1	159977105	NDFJZSILXOHXQW-KRWDZBQOSA-N	298.434	2.657	70	20	CFID	
CCC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1	160241711	VMNOLZWOBBXOGD-GHMZBOCLSA-N	282.359	2.940	70	20	CFID	
C[C@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CC1	776364538	UKRHHPWMRBEETF-SECBINFHSA-N	285.340	2.720	70	20	CFID	
CC(C)(C)C[C@H](O)CNc1ccc(C(F)(F)F)nn1	218022651	VAWFNTMKBJPDNK-QMMMGPOBSA-N	277.290	2.704	70	20	CFID	
Cc1cc(C)c(CNC(=O)N2CCC[C@](C)(O)C2)c(C)c1	161269115	RCJAINJNYFETGB-KRWDZBQOSA-N	290.407	2.668	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)[C@H]1C[C@@H]2CC[C@@H]1O2	160118359	CLMLVTDLDZYGAJ-SYEHKZFSSA-N	277.389	2.809	70	20	CFID	
Cc1ccccc1[C@H](C)NCCN1CCC(N(C)C)CC1	160244540	MTNUOTWZURICPZ-INIZCTEOSA-N	289.467	2.672	70	20	CFID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(F)(F)F	160677330	POIHUTGCIOORFU-YUMQZZPRSA-N	263.284	2.839	70	20	CFID	
CCCCCN(Cc1nncn1C)[C@@H](C)CCC	160853666	XKYRQKRQEQDHGT-ZDUSSCGKSA-N	252.406	2.996	70	20	CFID	
C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(Cl)cc1	159837295	SGUUOVRWVVHBCE-ABAIWWIYSA-N	296.798	2.957	70	20	CFID	
C[C@H]1CSc2ccccc2N(C(=O)[C@@H]2CCCO2)C1	159484670	KEHYBFZPWDRIQY-YPMHNXCESA-N	277.389	2.940	70	20	CFID	
CCCCS[C@@H](C)C(=O)NCC1(N)CCCCC1	159536422	ISCVKBUETKCFMJ-LBPRGKRZSA-N	272.458	2.686	70	20	CFID	
C[C@H](O)C[C@H](C)CNc1nc(C(C)(C)C)ns1	159596806	SDMOHTKEFIVWIC-IUCAKERBSA-N	257.403	2.655	70	20	CFID	
FC(F)(F)c1nnc(N[C@H]2CCN3CCC[C@@H]3C2)s1	160343294	WNIAFHPCCMQTBM-JGVFFNPUSA-N	292.330	2.596	70	20	CFID	
O=C(N[C@H]1CCC[C@@H]1O)C1(c2ccccc2)CCCC1	161221511	JFHUQXUGJJGOCQ-GJZGRUSLSA-N	273.376	2.528	70	20	CFID	
CC(C)C1(O)CN(C(=O)/C=C\c2ccc(Cl)s2)C1	216965543	FACNRORIFLWYNS-XQRVVYSFSA-N	285.796	2.644	70	20	CFID	
O=C(CCC(F)(F)F)Nc1cccc(S(=O)(=O)F)c1	460096543	UTIZERMMCXJLST-UHFFFAOYSA-N	299.245	2.626	70	20	CFID	
COC(=O)c1csc(NC(=O)N(C)[C@H](C)C2CC2)c1	160688007	BYAYHWDRIOMSEO-MRVPVSSYSA-N	282.365	2.797	70	20	CFID	
CC[C@@H](SCCC(=O)NC(=O)NC)c1ccc(F)cc1	161344851	GMSVCEGLZLODJF-GFCCVEGCSA-N	298.383	2.856	70	20	CFID	
CCCC[C@H](CC)CNC(=O)N(C)C[C@H](O)C1CC1	161466889	HDWRLFSHODRCSJ-JSGCOSHPSA-N	270.417	2.615	70	20	CFID	
C[C@@H](CO)N(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F	160585410	DQQIIXMOHZIYBU-JQWIXIFHSA-N	289.297	2.562	70	20	CFID	
COc1ccsc1C(=O)N(C)c1ccc2c(c1)OCO2	160629224	AOPHKOUZNYGICG-UHFFFAOYSA-N	291.328	2.762	70	20	CFID	
COc1cccc([C@@H](C)C(=O)N(C)Cc2cccn2C)c1	160707743	XGRUAQATZVJDSO-CYBMUJFWSA-N	286.375	2.796	70	20	CFID	
CCc1ccccc1OCC(=O)N(C)Cc1cccn1C	160839475	PMKOIHUCBYRNMP-UHFFFAOYSA-N	286.375	2.625	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1ccn(C2CCCC2)n1	159676689	QIJRKUQMJRWPFD-UHFFFAOYSA-N	299.374	2.676	70	20	CFID	
CCOc1cccc(NC(=O)NOCC(C)C)c1	159373329	KIHWAOPKIKOHMM-UHFFFAOYSA-N	252.314	2.794	70	20	CFID	
Cc1ccccc1[C@H](NC(=O)N[C@H](C)CCO)C(C)C	159769723	SIKGGPMWUSBQAI-UKRRQHHQSA-N	278.396	2.762	70	20	CFID	
CC[C@@H](C(=O)NCC1(CO)CCCC1)c1ccccc1	160266240	ZYDAOSRWILGRCK-OAHLLOKOSA-N	275.392	2.849	70	20	CFID	
CC(C)c1cccc(OCCS(=O)(=O)Cl)c1	103977150	CZCWGATUZZJNQW-UHFFFAOYSA-N	262.758	2.757	70	20	CFID	
C[C@H]1CC(C)(C)CN1C(=O)c1cccc(S(=O)(=O)F)c1	1517954625	DQRZCNHORCGUJL-JTQLQIEISA-N	299.367	2.605	70	20	CFID	
COc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c(OC)c1	218740064	LUOFLQJMZAIFIY-RYUDHWBXSA-N	273.332	2.637	70	20	CFID	
CC[C@@](C)(O)CN1CCC(OCC2CCCC2)CC1	161482469	PVNPQSRQZSYLAY-MRXNPFEDSA-N	269.429	2.819	70	20	CFID	
CC(C)C1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1336948985	FPELZPURUSTQLX-UHFFFAOYSA-N	299.367	2.511	70	20	CFID	
CCOCCCNc1ccncc1Br	159813124	UISUEIYJLCNHKI-UHFFFAOYSA-N	259.147	2.683	70	20	CFID	
CCc1ncc(NC(=O)N(C)C[C@H](C)CC)cn1	161158217	AOAKXCNCNWYDPB-SNVBAGLBSA-N	250.346	2.549	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)COc1ccc(F)cc1	161395043	YFTRIZZRBKGQOW-GHMZBOCLSA-N	251.301	2.604	70	20	CFID	
CCCC(O)(CCC)CC(=O)N(C)CC1CCN(C)CC1	161407630	QGCBDBFQNBAIIW-UHFFFAOYSA-N	298.471	2.508	70	20	CFID	
CC[C@@H](NC(=O)C(C)(C)COC)c1c(C)noc1C	160156472	ZFUIRSHUROHQAY-LLVKDONJSA-N	268.357	2.531	70	20	CFID	
Cc1ccc(CC(=O)OCc2nc(C)sc2C)cn1	160486834	DOWGJDNZEGPMMY-UHFFFAOYSA-N	276.361	2.749	70	20	CFID	
CCO[C@H](CC)C(=O)NCCCSCC(C)C	160682172	KWIINNFSQAEUCU-GFCCVEGCSA-N	261.431	2.697	70	20	CFID	
COC[C@H](NC(=O)Nc1cccc(F)c1C)C1CC1	160732256	NULOROYKAYRDNK-ZDUSSCGKSA-N	266.316	2.681	70	20	CFID	
CC[C@@H](NC(=O)Nc1ccccc1COC)[C@@H]1CCCO1	160826561	VRDZXLNNCQFJAQ-HIFRSBDPSA-N	292.379	2.912	70	20	CFID	
CC[C@@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160915004	DQDZZFKUCYAEOI-SECBINFHSA-N	290.289	2.709	70	20	CFID	
Cc1ccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)s1	160944134	DKCKBPNVMYYLKR-LBPRGKRZSA-N	299.403	2.883	70	20	CFID	
Cc1noc(C)c1C(=O)N[C@H]1CCOC2(CCCC2)C1	159443722	UVQUCGCJAMLDHM-LBPRGKRZSA-N	278.352	2.513	70	20	CFID	
COc1ccc(N(C)C(=O)c2cccnc2)cc1F	159539071	TWOVIGWAAJLJGT-UHFFFAOYSA-N	260.268	2.506	70	20	CFID	
CC(C)c1ccc(CC2CCN(CC(N)=O)CC2)cc1	159950595	OYDKPUSSNXCGET-UHFFFAOYSA-N	274.408	2.550	70	20	CFID	
CC(C)OC1CCC(NC(=O)CC[C@H]2CCOC2)CC1	159371696	ZRCXYOSHIWQGBQ-NFOMZHRRSA-N	283.412	2.656	70	20	CFID	
O=S(=O)(Cl)Cc1c(F)cccc1Br	165074703	DHFHUFROHPYPGP-UHFFFAOYSA-N	287.537	2.657	70	20	CFID	
C[C@H](N)CN[C@H](C)Cc1ccc(C(F)(F)F)cc1	218302405	WLDBTXAXXDAOQJ-VHSXEESVSA-N	260.303	2.573	70	20	CFID	
Cn1cnnc1CSc1nc2cc(Cl)ccc2n1C	161031514	VTDLQDHDWYVFNA-UHFFFAOYSA-N	293.783	2.648	70	20	CFID	
CCN(Cc1cnn(C)c1)Cc1ccn(-c2ccccc2)n1	161136891	KBCCZNHPAIVVSX-UHFFFAOYSA-N	295.390	2.628	70	20	CFID	
Cc1ncncc1C(=O)N[C@@H]1CCCc2sccc21	160189131	NGCSIRCFPOVSNM-GFCCVEGCSA-N	273.361	2.654	70	20	CFID	
CCOC(=O)NCCCC(=O)N1CCC[C@H]1C1CCCC1	160250309	NGVRHFGIXXTYBA-AWEZNQCLSA-N	296.411	2.694	70	20	CFID	
CCNC(=O)Nc1cccc(NC(=O)[C@H]2CC2(C)C)c1	160408279	ZQWMRBAHYLYLHW-GFCCVEGCSA-N	275.352	2.813	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](C)SC)c1c(C)noc1C	160597418	UNFZOVKHKQPVTB-NXEZZACHSA-N	256.371	2.610	70	20	CFID	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)[C@H](N)c1ccccc1	160892170	YVVLOEKUQAOTNH-CKEIUWERSA-N	282.387	2.995	70	20	CFID	
O=C(NCCOc1cccc(F)c1)N1CCC2(CCC2)C1	160966078	BPQGRDQGXPCBQD-UHFFFAOYSA-N	292.354	2.790	70	20	CFID	
Cc1[nH]c2ccc(C(=O)N(C)[C@H](CN)C3CC3)cc2c1C	159802169	DIBVRCUAERMGLD-MRXNPFEDSA-N	285.391	2.594	70	20	CFID	
C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1CCCSC1	159614147	DRYCDWIPDWZRMZ-ZIAGYGMSSA-N	284.469	2.653	70	20	CFID	
CC(C)n1cnnc1CNc1nc(C(C)(C)C)ns1	159444952	WFTMQSKJJKGNSD-UHFFFAOYSA-N	280.401	2.620	70	20	CFID	
CCN(Cc1cccs1)C(=O)C(C)(C)COC	159651716	QGNVCZNMIXCRPB-UHFFFAOYSA-N	255.383	2.769	70	20	CFID	
CN(CCCNC(=O)NC1(C)CCC1)c1ccccc1F	159850779	ZNIKXPARXVJOLZ-UHFFFAOYSA-N	293.386	2.894	70	20	CFID	
CC[C@H]1CCC[C@H]1NC(=O)CCOCC(F)(F)F	159562621	OMDSBCBTEALFEW-VHSXEESVSA-N	267.291	2.650	70	20	CFID	
Cc1ccccc1[C@H](C)NCCCNC(=O)C1CCC1	159760346	VNOFIPDBKIQHOA-AWEZNQCLSA-N	274.408	2.952	70	20	CFID	
Cc1c(C(=O)Nc2cccc(O)c2)cnn1CC(C)C	159962164	ULLBKZUOFYTWDD-UHFFFAOYSA-N	273.336	2.805	70	20	CFID	
C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)NC(C)(C)C	159714148	FZGFBHMPXJGROS-NTZNESFSSA-N	278.396	2.796	70	20	CFID	
COc1ccc(CN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c(OC)c1	217440437	PURYOPZTMZKRHJ-WOSRLPQWSA-N	292.423	2.522	70	20	CFID	
COc1cccc2c1CC[C@@H]2NC(=O)NCC(C)C	160281416	BVTCSCVCYXLXEL-ZDUSSCGKSA-N	262.353	2.638	70	20	CFID	
Cc1ccc(NC(=O)[C@H](C)C2CC2)cc1S(=O)(=O)F	857675381	LPYDITLZWAVVBR-SECBINFHSA-N	285.340	2.638	70	20	CFID	
F[B-](F)(F)c1cnc(Cl)nc1OCc1ccccc1	642814506	JVGGKDFJYPIITH-UHFFFAOYSA-N	287.457	2.763	70	20	CFID	
COCC(C)(C)C(=O)NCc1ccccc1OC(F)F	161300394	CZSFZSJHHSFAPM-UHFFFAOYSA-N	287.306	2.577	70	20	CFID	
C[C@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)C1CCC1	161462587	VMJAZZWSHDWXKA-NSHDSACASA-N	299.378	2.792	70	20	CFID	
CSC[C@H](CCO)N[C@@H](CC(C)C)c1ccccn1	160174390	FNIWMZPUYDTAGX-ZFWWWQNUSA-N	282.453	2.872	70	20	CFID	
COCC(C)(C)C(=O)N1CCC[C@H](Nc2ccccc2)C1	160320718	VDMLBXQCVMTFPH-HNNXBMFYSA-N	290.407	2.762	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NC[C@H]2CCCS2)n1	160374161	WQDRUNWDENVWSO-GFCCVEGCSA-N	296.440	2.946	70	20	CFID	
CS[C@H](C)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160596424	LNYOMFKMURNMLU-NEPJUHHUSA-N	271.426	2.736	70	20	CFID	
CC(C)C(=O)NOCc1ccc(C(F)(F)F)cc1	160642044	KWAVCPWEFOMUTR-UHFFFAOYSA-N	261.243	2.909	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCc2occc21	160675444	AFXSYIJLLUBDIA-YRGRVCCFSA-N	278.352	2.524	70	20	CFID	
CN(C[C@H](O)C1CC1)[C@@H]1CCCc2ccc(F)cc21	160762141	QXXASVXDLIPSKO-CVEARBPZSA-N	263.356	2.906	70	20	CFID	
CCC[C@@]1(C)CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1	160932397	KJINLIFFTIIGIT-WMZOPIPTSA-N	288.435	2.985	70	20	CFID	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCN	160940648	LBUDHGGVFCQLHI-CQSZACIVSA-N	288.416	2.805	70	20	CFID	
Cc1cc(NC(=O)c2ccccc2C(F)(F)F)c[nH]c1=O	159428426	MVHMCVPMKDTGDF-UHFFFAOYSA-N	296.248	2.954	70	20	CFID	
CC(=O)NC[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1	159474474	FFBZHTCODRAUKX-AWEZNQCLSA-N	294.439	2.578	70	20	CFID	
CCCCCOc1cccc(O[C@@H](C)C(N)=O)c1	159875924	ABEBDAHUUKPANZ-NSHDSACASA-N	251.326	2.508	70	20	CFID	
CCNC(=O)c1ccccc1NCc1c(CC)noc1C	159389004	IOPRFUNXIFEQCF-UHFFFAOYSA-N	287.363	2.907	70	20	CFID	
O=C(CCCc1ccccc1)NCC1(CO)CCCC1	160312112	LUPMBLAWFCLLFT-UHFFFAOYSA-N	275.392	2.678	70	20	CFID	
O=C(NCCOc1ccccc1)Nc1cc(Cl)ccn1	217303705	IKCWHECVBFNRRU-UHFFFAOYSA-N	291.738	2.936	70	20	CFID	
O=S(=O)(Cl)C[C@@H]1CCC[C@@H](C(F)(F)F)C1	156943882	XQXMCMNDICVDMM-RNFRBKRXSA-N	264.696	2.924	70	20	CFID	
CN1CCC[C@H]1CCN1CCCN(c2ccccc2)CC1	161443065	KEVKMVVKCZKTLP-KRWDZBQOSA-N	287.451	2.683	70	20	CFID	
CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccn(C)c1	160241213	FPEURNRMAVSWMU-ZDUSSCGKSA-N	275.739	2.875	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)Cc1csc(C(C)(C)C)n1	160590865	IEEAHNOTPUTYAS-GFCCVEGCSA-N	298.452	2.506	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1CCC[C@H](N)C1	160791821	SWYNLQUPQKAPAQ-GUTXKFCHSA-N	282.428	2.500	70	20	CFID	
Cc1cc(Cl)ccc1C(=O)NCCCc1cnn(C)c1	160932661	VFGSGBRGSZAKGT-UHFFFAOYSA-N	291.782	2.745	70	20	CFID	
Cc1ccc(C(=O)N(C)Cc2cccn2C)cc1F	160949143	NCFAHXINIQULAV-UHFFFAOYSA-N	260.312	2.745	70	20	CFID	
C[C@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl	160985484	NBARJVOQTJUJBK-BQBZGAKWSA-N	261.152	2.518	70	20	CFID	
C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCO1	159451391	SBXQGUDGTRKSBA-ZFWWWQNUSA-N	261.365	2.693	70	20	CFID	
CC[C@@H](CC(=O)NCC1(N)CCCCC1)C(C)C	159475450	BRDWHALJHMFCCX-ZDUSSCGKSA-N	254.418	2.837	70	20	CFID	
CC(C)CCC[C@H](C)NC(=O)N1CCC[C@@](C)(O)C1	159669286	DXONZRCCOGVBCW-DZGCQCFKSA-N	270.417	2.758	70	20	CFID	
CC[C@H]1CCCN(C(=O)CCCc2nc(C3CC3)no2)C1	159721344	LCPPUCBOMKXVLW-LBPRGKRZSA-N	291.395	2.918	70	20	CFID	
COCCCCCSc1nnc(-c2ccccn2)n1C	159593617	HSWONAVQVGEMBC-UHFFFAOYSA-N	292.408	2.786	70	20	CFID	
O=C(NCC1(CO)CCCC1)[C@@H]1CSc2ccccc21	160303602	WMGQUDOXHMBMFF-CYBMUJFWSA-N	291.416	2.545	70	20	CFID	
CC(C)CC(=O)NC[C@H]1CCCN1c1ccccc1	217838022	KFCHILKOTICZTD-OAHLLOKOSA-N	260.381	2.818	70	20	CFID	
CCC(CC)NC(=O)[C@@H](C)N(CC)Cc1ccccn1	161160727	NXFGJFKZFLMNGI-CYBMUJFWSA-N	277.412	2.597	70	20	CFID	
C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1337667780	ZYVGAQOFMZDEAM-MFKMUULPSA-N	299.367	2.653	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@@H]2C)c1	160718997	GJRAAIWODPBROZ-BDAKNGLRSA-N	282.365	2.797	70	20	CFID	
CC[C@@H]1CN(C[C@@H](O)c2cc3ccccc3o2)CCO1	216923008	XYRZNYVTCOILBO-ZIAGYGMSSA-N	275.348	2.577	70	20	CFID	
CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCCO1	161250215	CHYUBIDTACAFHZ-OAHLLOKOSA-N	277.364	2.613	70	20	CFID	
Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(C2CC2)n1	161416837	JZZDMGRGZSSPKT-GFCCVEGCSA-N	263.385	2.871	70	20	CFID	
C[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)C1CCC1	161462707	VMJAZZWSHDWXKA-LLVKDONJSA-N	299.378	2.792	70	20	CFID	
CC[C@H](C)OCC(=O)NCCc1ccc(C)cc1C	161474387	TYTWMJLOGOQAOE-AWEZNQCLSA-N	263.381	2.777	70	20	CFID	
CCCCn1ncc(NC(=O)NC2CC=CC2)c1C	160009355	YBEZPXCRVFLUGH-UHFFFAOYSA-N	262.357	2.832	70	20	CFID	
COc1ccc([C@@H](C)NCC2(CO)CCCC2)cc1OC	160085375	MROLHIGEPCXAMG-CYBMUJFWSA-N	293.407	2.907	70	20	CFID	
CC(C)c1ncc(C(=O)N(C[C@@H]2CCOC2)C2CC2)s1	160237808	VKFPSKUOUXYSFA-NSHDSACASA-N	294.420	2.908	70	20	CFID	
Cc1nc2ccccn2c1CN1CC[C@H](CN2CCCC2)C1	160561802	MQLULPPXEXLWPA-MRXNPFEDSA-N	298.434	2.560	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H](CC)C(C)C	160650350	ISYQFYCHSSGJGX-RYUDHWBXSA-N	257.374	2.517	70	20	CFID	
C[C@@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CCN1C	160683731	RSKHMDHQCPNUOX-OIISXLGYSA-N	276.424	2.573	70	20	CFID	
CCOC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1	160959925	BGXOUOIRZOQQGY-NOZJJQNGSA-N	299.729	2.562	70	20	CFID	
CSc1ccccc1NC(=O)N[C@]1(C)CCOC1	159434588	GABHOXGPBGYHAN-CYBMUJFWSA-N	266.366	2.709	70	20	CFID	
CCCCn1ncc(C(=O)NC[C@H](CCC)CCO)c1C	159832533	WBPNIJSVVRDHRI-CQSZACIVSA-N	295.427	2.520	70	20	CFID	
Clc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1	159649549	XNIGWSPBNSIARK-XBFCOCLRSA-N	278.783	2.782	70	20	CFID	
Cc1nccc(NC(=O)NC2(C)CCOCC2)c1Cl	159856700	APIIWBKEWSRDLQ-UHFFFAOYSA-N	283.759	2.734	70	20	CFID	
CCC1(CNC(=O)N(CCN(C)C)C(C)C)CCCC1	159675998	DPWJNEGPYIICGM-UHFFFAOYSA-N	283.460	2.938	70	20	CFID	
CN(Cc1ccccn1)C(=O)c1ccc(N(C)C)cc1F	159502113	HRADJRRGVIQVIN-UHFFFAOYSA-N	287.338	2.559	70	20	CFID	
CC[C@@H](C(=O)OCc1noc(C)n1)c1ccc(F)cc1	159911333	ATOHRDNILUUOMN-GFCCVEGCSA-N	278.283	2.754	70	20	CFID	
C[C@H](c1cccc(F)c1)N(C)C[C@@H]1CCC[C@@H]1O	159559653	JTNRFVNFCAPYQZ-ZLDLUXBVSA-N	251.345	2.980	70	20	CFID	
CC[C@@H](C)c1nc2n(c1CS(=O)(=O)Cl)CCCC2	536954083	LDXHSDCYGWYDRU-SECBINFHSA-N	290.816	2.802	70	20	CFID	
Fc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159510075	QZRZUIPBBRYRDZ-ZNMIVQPWSA-N	261.340	2.873	70	20	CFID	
CCN(CCCO)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160503181	WXGVJMYIWIBVLX-RRFJBIMHSA-N	267.413	2.824	70	20	CFID	
C[C@H]1CCCC[C@H]1OCCCCS(=O)(=O)Cl	114257700	IXJQWKGHNVQZKK-WDEREUQCSA-N	268.806	2.931	70	20	CFID	
O=S(=O)(Cl)C1=Cc2cccc(Cl)c2OC1	100645349	DVDOSNOHDJRZNC-UHFFFAOYSA-N	265.117	2.642	70	20	CFID	
C[C@@H](COc1ccccc1Cl)CS(=O)(=O)Cl	108304586	WCOLVXRIGIJEGA-QMMMGPOBSA-N	283.176	2.924	70	20	CFID	
CCCCCNC(=O)c1cc(OC)c(OC)cc1F	161114236	XQKLFIKQKKONJF-UHFFFAOYSA-N	269.316	2.763	70	20	CFID	
Cc1ccc(C(C)(C)CN(C)C(=O)C[C@H]2CCCN2)cc1	161257894	ORKQOQMVJVSAPF-MRXNPFEDSA-N	288.435	2.873	70	20	CFID	
CCOC(=O)CC[C@@H](C)NC(=O)/C=C/c1ccc(CC)o1	161432208	JTHWXVWLKKMYNZ-BZYZDCJZSA-N	293.363	2.703	70	20	CFID	
CCOCCO[C@@H](C)C(=O)N[C@@H]1CCCc2sccc21	160082252	ZHORYLGLWHGADV-WCQYABFASA-N	297.420	2.683	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160390554	OZWMYDKHKCYKRO-HUUCEWRRSA-N	280.412	2.776	70	20	CFID	
COC[C@@H](NC[C@@H](C1CCCCC1)N(C)C)C1CC1	160426249	GPHQPJHSMCMTJM-CVEARBPZSA-N	268.445	2.512	70	20	CFID	
O=C(CC(F)(F)F)Nc1cccc(OCCF)c1	160489442	YQZCASHMQHTFFK-UHFFFAOYSA-N	265.206	2.926	70	20	CFID	
Cc1ccc(CN(C(=O)C[C@@H]2CCCN2)C2CC2)cc1C	160550055	ZCLAQCDPNZEIJV-INIZCTEOSA-N	286.419	2.937	70	20	CFID	
Cc1nc2n(n1)C[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2	160580007	YGRXEUWFJVUXDQ-SLBVQIDZSA-N	290.455	2.952	70	20	CFID	
Cc1cc(C(=O)NCCC(=O)OC(C)(C)C)cc(Cl)n1	160689231	BUHUPBFTEGASFJ-UHFFFAOYSA-N	298.770	2.505	70	20	CFID	
CCC(=O)c1cccc(NC(=O)C2(O)CCCC2)c1	160772534	LYOYNZZPRRDTEI-UHFFFAOYSA-N	261.321	2.523	70	20	CFID	
CC(C)(CCC(=O)N[C@@H]1CCC[C@H]1O)c1ccccc1	160829507	YEBZLCZLRBKGJE-HUUCEWRRSA-N	275.392	2.774	70	20	CFID	
Cc1cc(NC(=O)NOCC(C)C)cnc1Cl	160898169	JRQCIPVUQHFYAT-UHFFFAOYSA-N	257.721	2.753	70	20	CFID	
CC(C)NC(=O)CN[C@@H]1c2cccc(F)c2CC[C@@H]1C	160915044	FCUCKEVGLNOIOF-ZBEGNZNMSA-N	278.371	2.563	70	20	CFID	
COc1cc(C(=O)Nc2cc(C)ns2)ccc1F	159865310	OWSFJMFYJITHTD-UHFFFAOYSA-N	266.297	2.852	70	20	CFID	
CS[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(N)c2)C1	159574265	AQTIWJVYRZRRAN-STQMWFEESA-N	278.421	2.981	70	20	CFID	
COc1cc(Nc2nc(Cl)nc3nc[nH]c23)ccc1F	160482390	XDIWCSXBVYVQIZ-UHFFFAOYSA-N	293.689	2.898	70	20	CFID	
CCN(C(=O)[C@@H](C)N)[C@@H](C)c1cccc(C(F)(F)F)c1	161115641	GNTHBRXZKWXSPI-ZJUUUORDSA-N	288.313	2.962	70	20	CFID	
C[C@@]1(C(=O)NCCc2cccc3ccccc23)CCCNC1	161375199	FPSCWUMCNWVBNM-LJQANCHMSA-N	296.414	2.888	70	20	CFID	
CN(C(=O)c1cc(F)cc2cccnc12)[C@@H]1CCSC1	161467037	APEXINFASHCTQJ-GFCCVEGCSA-N	290.363	2.951	70	20	CFID	
C[C@@H](N)[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160196613	VWGVGYXHSHPERB-LUCZXWKPSA-N	290.451	2.787	70	20	CFID	
COCCOC1CCN(C(=O)C2CCC(C)(C)CC2)CC1	160480718	QJUFSOXHMZPVDM-UHFFFAOYSA-N	297.439	2.857	70	20	CFID	
Cc1c([C@@H](C)NCC(C)(C)O)cnn1-c1ccc(F)cc1	160607790	RJAPSFGWLXHJGU-LLVKDONJSA-N	291.370	2.741	70	20	CFID	
CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1	160700531	FYCDSGMEWXESFY-GOEBONIOSA-N	293.455	2.692	70	20	CFID	
CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCC[C@H](N)C1	160792127	SWYNLQUPQKAPAQ-YDHLFZDLSA-N	282.428	2.500	70	20	CFID	
O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cccc(F)n1	159602905	OEBPZMGKQCTGBI-CYBMUJFWSA-N	299.349	2.620	70	20	CFID	
CC(C)N1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)C1=O	159543364	XUNMKYKPQAKHTN-CVEARBPZSA-N	290.382	2.802	70	20	CFID	
CN(Cc1ccsc1)C(=O)CCC(=O)NC1CCCC1	159745162	YDRMJBILRKYOGS-UHFFFAOYSA-N	294.420	2.546	70	20	CFID	
CC1(CNC(=O)c2cccc3[nH]cnc23)CCCC1	159468832	AMAKDRLKDNDWQC-UHFFFAOYSA-N	257.337	2.873	70	20	CFID	
CC1(O)CCN(C(=O)c2ccc3c(c2)CCCC3)CC1	161257794	NFSZYKLWHHRAJL-UHFFFAOYSA-N	273.376	2.552	70	20	CFID	
CCCN(CCC)C(=O)c1ccc(S(=O)(=O)F)cc1	865205654	IXPPMOWIYDHGON-UHFFFAOYSA-N	287.356	2.607	70	20	CFID	
C[C@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1336922413	TVIOJOPAWIDTQA-CMPLNLGQSA-N	299.367	2.653	70	20	CFID	
CC1(C)C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1	161050060	UTHYUVDPLIEBCC-DOMZBBRYSA-N	290.382	2.814	70	20	CFID	
CC[C@@H](C)c1cc(C(=O)N(C)Cc2ccccn2)on1	161114992	DNWBBDYTPMWOTC-LLVKDONJSA-N	273.336	2.855	70	20	CFID	
CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1CNC	161238573	ADIOPAGAZJGAAN-ZIAGYGMSSA-N	254.418	2.803	70	20	CFID	
CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCCO1	161250130	CHYUBIDTACAFHZ-HNNXBMFYSA-N	277.364	2.613	70	20	CFID	
CC(C)OC(=O)CCCNC(=O)N(C)[C@H]1CCC[C@H](C)C1	160065549	FFXQKJDYBNVBQP-KBPBESRZSA-N	298.427	2.938	70	20	CFID	
CC1CCC(N(C)C(=O)NCCCC(=O)OC(C)C)CC1	160155008	WKNGPEOPZGYFLH-UHFFFAOYSA-N	298.427	2.938	70	20	CFID	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(F)nc1	160400134	LZXXEQWKYSIILQ-QMMMGPOBSA-N	277.299	2.958	70	20	CFID	
CCOc1ccc(C(=O)N(C)Cc2cccn2C)cc1	160428116	KIBPWFKVALJUTQ-UHFFFAOYSA-N	272.348	2.696	70	20	CFID	
CCOCCC1(C(=O)N2CCC[C@@H](C)C2)CCC1	160514822	VOUASRXTLBVHEV-CYBMUJFWSA-N	253.386	2.842	70	20	CFID	
COC[C@@H](N[C@@H](CCCO)c1ccccc1)C1CC1	160916481	SBGSJQOSERMLAM-JKSUJKDBSA-N	263.381	2.515	70	20	CFID	
COC(=O)CCCC(=O)O[C@H](C)c1nc2ccccc2o1	159886036	JXLOTDNMGPTEDJ-SNVBAGLBSA-N	291.303	2.775	70	20	CFID	
C[C@@H]1CCN(C(=O)NCc2cn3ccccc3n2)C[C@@H]1C	159887949	SAZDEBAZYWVMPI-OLZOCXBDSA-N	286.379	2.522	70	20	CFID	
OCCNC(Cc1ccccc1F)Cc1ccccc1F	159692372	QBBZKNQUJRCDHB-UHFFFAOYSA-N	291.341	2.701	70	20	CFID	
CCCCn1ncc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1C	159713836	XYNQNCWHSBBBKJ-FZMZJTMJSA-N	294.399	2.681	70	20	CFID	
COCC[C@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1	159715240	BWUBAKFQFLVFIA-LBPRGKRZSA-N	299.798	2.877	70	20	CFID	
CN(Cc1ccccc1Br)C(=O)C(F)F	217594410	KSBZTIDRCDSGCK-UHFFFAOYSA-N	278.096	2.673	70	20	CFID	
COc1ccc(CC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218694895	DAJJMZOFCPYDHG-KBPBESRZSA-N	257.333	2.557	70	20	CFID	
C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)F)c1	1354886259	SBNATWQHTJHHRQ-CMPLNLGQSA-N	299.367	2.511	70	20	CFID	
O=S(=O)(Cl)CCCCOCc1ccccc1	112155097	PDYMVOKRHBCTHH-UHFFFAOYSA-N	262.758	2.552	70	20	CFID	
O=C(NCc1ccc(CO)cc1)Nc1cccc(F)c1	217310683	RPJNTBOAVRIOTJ-UHFFFAOYSA-N	274.295	2.640	70	20	CFID	
CCCCc1ccc(CC(=O)N2CCC(C)(O)CC2)cc1	161240288	YNEMBQFMHVCZEB-UHFFFAOYSA-N	289.419	2.945	70	20	CFID	
Cc1cccc(C(=O)N(C)Cc2cccnc2)c1F	161401822	QNADXDBZONOCBF-UHFFFAOYSA-N	258.296	2.801	70	20	CFID	
CCO[C@@H](C)c1nccn1Cc1cn2c(C)cccc2n1	161482596	POZPNLNUWQVOBP-ZDUSSCGKSA-N	284.363	2.985	70	20	CFID	
CC(C)(C)c1ccc(CCC(=O)N2CCC[C@@H]2CN)cc1	160188133	BOYFDKTVOLMMSG-MRXNPFEDSA-N	288.435	2.866	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(CC)c(C)s1	160265109	DPXCPCLRZZDYEE-VIFPVBQESA-N	283.393	2.690	70	20	CFID	
CCCCCOCC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1	160473519	ISQNXYCSORZFCI-AWEZNQCLSA-N	293.407	2.988	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1coc2ccccc12	160501089	JFHKCJXPWXUZID-SNVBAGLBSA-N	275.304	2.504	70	20	CFID	
Cc1ccc(F)c(C(=O)NC[C@H]2CCCN2CC(C)C)c1	160510191	IMSLOUKUFBBMQS-CQSZACIVSA-N	292.398	2.984	70	20	CFID	
CC(=O)Nc1ccccc1CNc1ccc(N(C)C)cn1	160584582	SYWSCCRDYXAKQY-UHFFFAOYSA-N	284.363	2.718	70	20	CFID	
CCCOc1cccc(CCNC(=O)C(C)(C)COC)c1	160636959	KBLGVAHSRQWMDN-UHFFFAOYSA-N	293.407	2.807	70	20	CFID	
CC1=C(C(=O)N[C@H]2[C@@H]3CCc4ccccc4[C@H]23)CCCO1	160724649	NAZNXVJPTDPEHP-IKGGRYGDSA-N	283.371	2.915	70	20	CFID	
CCCC[C@H](CC)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2	159679434	ARNHCOBIXCALSM-SOUVJXGZSA-N	266.429	2.946	70	20	CFID	
Cc1noc(NC(=O)C[C@@H](C)c2ccc(F)cc2F)n1	159885540	PCIKGEJYCRSLCK-SSDOTTSWSA-N	281.262	2.789	70	20	CFID	
COc1cccc(CCCN2CCOCC2(C)C)c1	159519595	XEKVXTRVEPDKPR-UHFFFAOYSA-N	263.381	2.739	70	20	CFID	
CC1(NC(=O)NCCCOCCc2ccccc2)CCC1	159734938	OSVGLAMVROTPTM-UHFFFAOYSA-N	290.407	2.878	70	20	CFID	
CCOc1ccc(OCCN(C)C[C@H]2CCC[C@@H]2O)cc1	159567294	ZQHBZXDFQNNFKM-PBHICJAKSA-N	293.407	2.557	70	20	CFID	
CC[C@@H](C)OCC(=O)Nc1cnn(Cc2ccccc2)c1	159760584	ILQGCCGGHVCUBH-CYBMUJFWSA-N	287.363	2.685	70	20	CFID	
NCc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	159569588	AGPYRGBZTXJKEX-UHFFFAOYSA-N	286.400	2.626	70	20	CFID	
CCOc1cc(CNCCN(C)[C@H](C)CC)ccc1OC	217378809	BKXAPVYFEVIGES-CQSZACIVSA-N	294.439	2.914	70	20	CFID	
C[C@H](C(=O)NCC(C)(C)CN(C)C)c1c(F)cccc1F	161142052	IATAHVUISOGKFH-NSHDSACASA-N	298.377	2.772	70	20	CFID	
CC[C@H](SCCN1C(=O)CNC1=O)c1ccc(F)cc1	161313284	JAOUMDNVDBOTGL-LBPRGKRZSA-N	296.367	2.562	70	20	CFID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccncc1O	161503775	GNQGLOXFTJSEOJ-NXEZZACHSA-N	274.345	2.899	70	20	CFID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)C(C)C)C(F)(F)F	160165258	NCGNIGXKNXZGSO-SNVBAGLBSA-N	278.274	2.840	70	20	CFID	
CC1=C(C(=O)N[C@H](C)c2cccc(O)c2)CCCO1	160258477	QDIRUGLODDTGFC-SNVBAGLBSA-N	261.321	2.654	70	20	CFID	
Cc1cscc1CNC(=O)N1CCC[C@H](C)C1	160697293	DTJTWQBJQXTWHW-JTQLQIEISA-N	252.383	2.998	70	20	CFID	
CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCO1	159876969	KWADJOKTEQSTKD-CYBMUJFWSA-N	267.756	2.868	70	20	CFID	
CCC(CC)c1cc(C(=O)N[C@@H](C(=O)OC)C(C)C)on1	159754861	JQUJBMQRJJKMDM-CYBMUJFWSA-N	296.367	2.506	70	20	CFID	
Cc1noc(C)c1[C@H](C)CC(=O)NCCCC(C)(C)CO	159560432	XWJWAGDPNGBWMB-LLVKDONJSA-N	296.411	2.700	70	20	CFID	
CS[C@@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F	159964793	UHNHBFSUOZZACK-IONNQARKSA-N	279.283	2.980	70	20	CFID	
CCc1ncsc1C(=O)NCCCNc1ccccc1	159578481	YEMUYGPPGFCGHS-UHFFFAOYSA-N	289.404	2.938	70	20	CFID	
CCOC1CC(Nc2cccc(C(=O)NC3CC3)c2)C1	160197464	NBFGDYLJEMQBDN-UHFFFAOYSA-N	274.364	2.558	70	20	CFID	
CC(C)(CCO)NC(=O)CCc1nc2ccccc2s1	161490728	IAYZBGMQEJKZQF-UHFFFAOYSA-N	292.404	2.506	70	20	CFID	
CCN(CC)CCCNC(=O)Nc1cccc(F)c1	217310643	PUWRXKMZWMXDHV-UHFFFAOYSA-N	267.348	2.679	70	20	CFID	
Cc1nc(Cl)ccc1C(=O)N(C)Cc1cscn1	161218465	XBNCEMQFSQDTFQ-UHFFFAOYSA-N	281.768	2.772	70	20	CFID	
CCC[C@@H](CCO)CNc1ccc(C(F)(F)F)nn1	218051565	YATSJVDMZNTUJS-VIFPVBQESA-N	277.290	2.706	70	20	CFID	
C[C@H](Sc1cc(Cl)nc(C2CC2)n1)[C@@H](C)O	218048450	LFJGSQUUXLLAHD-RQJHMYQMSA-N	258.774	2.869	70	20	CFID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H](C)COC)C1	161024815	SGFPJSQDVXETPB-UONOGXRCSA-N	256.434	2.512	70	20	CFID	
CC(C)Cc1ccc(CCC(=O)N(C)C[C@@H](C)O)cc1	160092886	LJSCDHAEVMTNEI-CQSZACIVSA-N	277.408	2.657	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1nc(C)c(C(=O)OC)s1	160116466	LEXLDGXTOZOGIN-ISVAXAHUSA-N	282.365	2.613	70	20	CFID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc2ccccc2c1	160361911	PYHVPXOJILDUDT-GFCCVEGCSA-N	285.343	2.911	70	20	CFID	
O=C(Cc1ccc(O)cc1Cl)N[C@H]1C=CCCC1	160379942	PGVXZYXMYYBKEN-NSHDSACASA-N	265.740	2.813	70	20	CFID	
CC1(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CCCCC1	160594986	JDNURWNKJKFEAR-UONOGXRCSA-N	280.412	2.966	70	20	CFID	
Cn1cnnc1CN1CCCCC[C@H]1c1ccccc1	160812706	CUAYDZVMFBQNDX-HNNXBMFYSA-N	270.380	2.932	70	20	CFID	
C[C@@H](CCn1cccn1)Nc1ccc2c(c1)OCCO2	159415806	SNJXUDXDUFJSTA-LBPRGKRZSA-N	273.336	2.545	70	20	CFID	
CCc1cc(O)nc(CN(C)Cc2ccccc2C)n1	160521614	VDMKNOKCXBXWCI-UHFFFAOYSA-N	271.364	2.685	70	20	CFID	
C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccnc1	160883549	RLTYWAVCIVHTDW-MYPMTAMASA-N	260.381	2.936	70	20	CFID	
CCOC(=O)c1coc(N[C@H](C)CCSCC)n1	159478069	DXFIFBSPZCUNOE-SECBINFHSA-N	272.370	2.795	70	20	CFID	
CCCCc1ccc(C(=O)N[C@H](CC)CCO)cc1	160137165	FOXARYORUHESCT-OAHLLOKOSA-N	263.381	2.920	70	20	CFID	
CN(Cc1cc2ccccc2o1)C(=O)C[C@H]1CCCN1	161416866	LQTUBUGQIOVKJZ-CYBMUJFWSA-N	272.348	2.533	70	20	CFID	
CS[C@H](C)CC(=O)N1CCN(CC2CCCCC2)CC1	161434230	NRCZCZNINQRESO-CQSZACIVSA-N	298.496	2.853	70	20	CFID	
COc1ccc([C@@H](C)[C@H](C)NC2CCN(C)CC2)cc1	161492937	GCHUCWTYHYSYKO-KBPBESRZSA-N	276.424	2.871	70	20	CFID	
Cc1cccc([C@H]2CCCN2Cc2cn3cccnc3n2)n1	160004368	VZVCOWXZCSSKRG-MRXNPFEDSA-N	293.374	2.770	70	20	CFID	
CSC[C@H](CCO)N[C@H]1CCc2cc(F)ccc21	160153991	NUJQIVGMGSUYQN-JSGCOSHPSA-N	269.385	2.517	70	20	CFID	
Cc1ccc(F)cc1NC(=O)c1ncn(-c2ccccc2)n1	160370193	HGJXPLOGZZTMMC-UHFFFAOYSA-N	296.305	2.967	70	20	CFID	
CCCN(CC1CC1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160390407	OZWMYDKHKCYKRO-GJZGRUSLSA-N	280.412	2.776	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(N2CCNC2=O)cc1	160413101	JUGPSGRRZURNIN-CJNGLKHVSA-N	287.363	2.591	70	20	CFID	
CCC[C@@](C)(O)C(=O)NCCc1csc(C(C)(C)C)n1	160630362	HLLAMJDFDIUCHV-OAHLLOKOSA-N	298.452	2.650	70	20	CFID	
O=C([C@H]1CCCCO1)N1CCCc2cccc(F)c21	160657296	HNFKZHSCXTYIII-CYBMUJFWSA-N	263.312	2.674	70	20	CFID	
COc1cccc(N2CCN(Cc3occc3C)CC2)c1	160691738	GRBBIDZVYBDZKB-UHFFFAOYSA-N	286.375	2.919	70	20	CFID	
CCC[C@@H]1C[C@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160904215	LJRCUODIUROGFK-RKDXNWHRSA-N	290.289	2.756	70	20	CFID	
CCN(CC(C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160963590	MTSTVVSSSPYXHL-MJBXVCDLSA-N	280.412	2.632	70	20	CFID	
COC(=O)[C@@H](C)N(C)CCCOc1ccc(Cl)cc1	159440379	HYZDPWOLJGLOJY-LLVKDONJSA-N	285.771	2.602	70	20	CFID	
C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)C[C@@H](C)O	159374036	FZVMQUOEPXLERB-ZJUUUORDSA-N	295.770	2.764	70	20	CFID	
CCN1CCC[C@@H]1CNC(=O)[C@@H](C)OC1CCCCCC1	159572627	KDWHLXRROFUJBC-HUUCEWRRSA-N	296.455	2.715	70	20	CFID	
CCCN(C)Cc1nnc(-c2ccccc2OC)o1	159781218	PLPTVWWCHDAJIO-UHFFFAOYSA-N	261.325	2.587	70	20	CFID	
CC[C@@H](CCO)NC(=O)c1oc2c(F)cccc2c1C	160123025	GSFMVZHLKABNGU-JTQLQIEISA-N	279.311	2.771	70	20	CFID	
OC1(c2ccccc2)CCN(c2ccccn2)CC1	217817207	CKBPRTJBFMZLNR-UHFFFAOYSA-N	254.333	2.570	70	20	CFID	
Cc1cccc(CS(=O)(=O)Cl)c1Br	106942475	SEOPUJQJDIYQNF-UHFFFAOYSA-N	283.574	2.826	70	20	CFID	
Cc1cc(C[C@H](C)NC(=O)[C@H](C)CC2CCCC2)n[nH]1	161293457	OWPUFFCHURSUOF-NEPJUHHUSA-N	277.412	2.982	70	20	CFID	
COc1cc(CC(=O)N2[C@@H](C)CC[C@H]2C)ccc1C	161447826	NKKMCPHRNDDSRZ-BETUJISGSA-N	261.365	2.946	70	20	CFID	
O=C(N[C@@H]1C=CCCC1)N1CCC(C2CCOCC2)CC1	160270846	RQMQORWTDUOAAA-MRXNPFEDSA-N	292.423	2.943	70	20	CFID	
Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccn(C)c1)N2	160290562	OQNMJNYRRGTWPC-CQSZACIVSA-N	255.321	2.530	70	20	CFID	
C[C@H](CCO)NC(=O)N[C@H](C)c1ccc(F)cc1Cl	160380005	RXRDVPIOVAHQAU-RKDXNWHRSA-N	288.750	2.610	70	20	CFID	
Cc1ccc2ncc(CN[C@@H]3CCOC(C)(C)C3)n2c1	160616014	RDEFYQSESXSAMG-CYBMUJFWSA-N	273.380	2.690	70	20	CFID	
CCOC(=O)CCCNC(=O)CCCc1sccc1C	160666640	JTSVZVUCCMTCJM-UHFFFAOYSA-N	297.420	2.839	70	20	CFID	
NC(=O)[C@@H]1CCCCC[C@@H]1Nc1nc2cc(F)ccc2o1	160732727	INZSSJINPKQZSE-MNOVXSKESA-N	291.326	2.813	70	20	CFID	
CCN(C(=O)Nc1cc(C(=O)OC)cs1)C(C)C	160738256	VFZALECEZQBHAX-UHFFFAOYSA-N	270.354	2.797	70	20	CFID	
CCN(CCCS(=O)(=O)C(C)C)CCc1ccccc1	160878001	SDRXOJWYNIQODN-UHFFFAOYSA-N	297.464	2.764	70	20	CFID	
Cc1cc(F)cc(NC(=O)c2cnc3c(c2)ncn3C)c1	160908421	ASSGSCMIBRQSBD-UHFFFAOYSA-N	284.294	2.668	70	20	CFID	
COCCC1(CNC(=O)N2c3ccccc3C[C@H]2C)CC1	160977236	FHELIGYVQSQFTN-CYBMUJFWSA-N	288.391	2.964	70	20	CFID	
CCOCCCC(=O)N(C)c1ccc(OC)c(F)c1	159831986	UKQDFPRVSYPCCS-UHFFFAOYSA-N	269.316	2.614	70	20	CFID	
CCCCn1ncc(NC(=O)NC[C@@H](C)C[C@H](C)O)c1C	159783757	OZUCBNUGNXHMSZ-RYUDHWBXSA-N	296.415	2.520	70	20	CFID	
O=S(=O)(F)c1ccc(-c2cccc(F)c2)nc1F	536953649	NPMFLFHWHLZSNK-UHFFFAOYSA-N	273.235	2.685	70	20	CFID	
Cc1ccc(OC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1515237187	GRUHHDYVVRBQPF-UHFFFAOYSA-N	294.303	2.872	70	20	CFID	
NC1(CC(=O)Nc2ccc(F)cc2OC(F)F)CCC1	161085397	NEWVLQQFIBVUKE-UHFFFAOYSA-N	288.269	2.637	70	20	CFID	
CCO[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2F)C1	161148955	YTHOTSGLYKCOLW-CYBMUJFWSA-N	294.370	2.533	70	20	CFID	
CC(C)=CCC[C@@]1(C)NC(=O)N(Cc2nccs2)C1=O	161412564	AFLDVBUEEPYMRJ-CQSZACIVSA-N	293.392	2.700	70	20	CFID	
CC(C)(C)CCCCNC(=O)[C@@H]1CCn2ccnc2C1	161422699	JDXHYHBOGANOBM-CYBMUJFWSA-N	277.412	2.778	70	20	CFID	
CC(C)(C)c1nc(Cn2nc(C3CC3)nc2C2CC2)no1	161452550	KNTIBXLWFCLWFP-UHFFFAOYSA-N	287.367	2.762	70	20	CFID	
O=C(CCC1CCCC1)Cn1nc(-c2ccco2)oc1=O	160182332	DTLCNJUDSBCTOW-UHFFFAOYSA-N	290.319	2.636	70	20	CFID	
CC[C@@H](C)OCC(=O)N[C@@H](C)COc1cccc(C)c1	160573016	ICOJVRLEFXHBLU-UONOGXRCSA-N	279.380	2.694	70	20	CFID	
CN[C@H]1CCN(C(=O)c2oc3c(C)ccc(C)c3c2C)C1	160798651	FJQODIQIDIRTGA-ZDUSSCGKSA-N	286.375	2.792	70	20	CFID	
COC(=O)c1cc(NC(=O)[C@@H]2CC2(C)C)ccc1C	159919744	CGOLKNUXCAHWLV-LBPRGKRZSA-N	261.321	2.766	70	20	CFID	
O=C(NCCOCc1ccccc1)c1cccc2[nH]cnc12	159786287	AZTRIYGAMOMPMI-UHFFFAOYSA-N	295.342	2.510	70	20	CFID	
CCSCC[C@@H](C)NC(=O)c1ccccc1CCNC	160209384	YMPQLKWULIQVEZ-CYBMUJFWSA-N	294.464	2.710	70	20	CFID	
O=C(N[C@@H]1CCCc2sccc21)c1ccc(O)cc1O	160395068	UEFPNYOLPFJCKZ-GFCCVEGCSA-N	289.356	2.967	70	20	CFID	
CC[C@@H](C)CN(C)C(=O)Nc1ccn(CC(F)(F)F)n1	160884479	WKIFRZJVCLVKQQ-SECBINFHSA-N	292.305	2.955	70	20	CFID	
CCN(C(=O)NCC1(CCOC)CC1)C1CCCC1	161069380	REPXEAISTDITNQ-UHFFFAOYSA-N	268.401	2.777	70	20	CFID	
CNC[C@H]1CCCN1C(=O)C[C@H](C)c1cccc(F)c1	161236470	CVZCJKATPCTSRH-SWLSCSKDSA-N	278.371	2.530	70	20	CFID	
Cc1cc(C)cc(C[C@H](C)NC(=O)CC2CCNCC2)c1	161348698	JPASQDINMFZBTA-HNNXBMFYSA-N	288.435	2.740	70	20	CFID	
CC(C)[C@@H](C)N[C@H]1CCCN(c2ccccc2F)C1=O	160178867	CPABOYNPVYGCJB-OCCSQVGLSA-N	278.371	2.955	70	20	CFID	
C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1	160462855	OCYVDJKPCDOJHO-GBOPCIDUSA-N	280.412	2.632	70	20	CFID	
CC[C@H](C)OCC(=O)N[C@H](C)Cc1ccccc1F	160578117	KMCUVYZDVOFCMT-NEPJUHHUSA-N	267.344	2.688	70	20	CFID	
C[C@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1cccc(F)c1	160616109	WOGCFBALXCWOSV-WQVCFCJDSA-N	290.382	2.672	70	20	CFID	
CCN(C(=O)Nc1ccn(CC(F)(F)F)n1)C(C)C	160633595	VSBNNUJLRXXANP-UHFFFAOYSA-N	278.278	2.708	70	20	CFID	
C[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccccc1Cl	159830734	WMALRHGKZUFVKR-NHYWBVRUSA-N	296.798	2.957	70	20	CFID	
CCC[C@@H](CCO)CNC(=O)c1ccc(C(C)C)nc1	159832136	LXCAXBJEERAXCQ-ZDUSSCGKSA-N	278.396	2.734	70	20	CFID	
CCOC(=O)CN(CC(C)C)C(=O)c1cc(C)c(C)o1	159705103	CVYZDSZKZYRKRQ-UHFFFAOYSA-N	281.352	2.558	70	20	CFID	
CCOC(=O)NCCCC(=O)N(C)c1cccc(C)c1C	159915599	IFYFATSAIPHTST-UHFFFAOYSA-N	292.379	2.793	70	20	CFID	
CC(C)C[C@H]1CCCCCN1C(=O)C[C@H]1CCCN1	159919727	VBDCLWPUNKNGCX-HUUCEWRRSA-N	266.429	2.946	70	20	CFID	
COc1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1F	160081823	LCVYXHJBDWXJDB-CMPLNLGQSA-N	264.344	2.871	70	20	CFID	
CO[C@]1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOC1	160104785	FAAABRNCYSLGLC-TUAOUCFPSA-N	281.318	2.503	70	20	CFID	
Cc1cccc(C)c1CNCC(C)(C)N1CCOCC1	160411424	YPVUHSGBYTVVSK-UHFFFAOYSA-N	276.424	2.504	70	20	CFID	
CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H]1CCC(C)(C)O1	160829321	DRHRNBWOYXWZRX-STQMWFEESA-N	283.412	2.750	70	20	CFID	
CCCn1c(CNC[C@H]2CCCN2C)nc2ccccc21	218235372	PWSPERSCDBWUKM-CQSZACIVSA-N	286.423	2.630	70	20	CFID	
CCCOC(=O)c1ccc(NC(=O)[C@@](C)(CC)CN)cc1	217102988	AWJRYWIEHUNEJW-INIZCTEOSA-N	292.379	2.567	70	20	CFID	
CCc1ncnc(N[C@H]2CC[C@@H](SC)C2)c1F	218045593	UXHUUIPNSMIGMJ-DTWKUNHWSA-N	255.362	2.874	70	20	CFID	
C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(S(=O)(=O)F)cc1	864244534	ZWJIXMLIEHKUEY-SNVBAGLBSA-N	299.367	2.605	70	20	CFID	
C[C@H](N)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1	218302341	WLDBTXAXXDAOQJ-UWVGGRQHSA-N	260.303	2.573	70	20	CFID	
COc1cc(F)c(C(=O)NCc2ccccc2)cc1OC	161122029	ABJNKXPZQCGROO-UHFFFAOYSA-N	289.306	2.773	70	20	CFID	
CCCCN(C)C(=O)NCC1(CCOCC)CC1	161460407	UIHDSZRHZMNWRB-UHFFFAOYSA-N	256.390	2.635	70	20	CFID	
CS[C@H](C)CNC(=O)NCCc1ccc(F)cc1C	160038577	XKHFAUCCUWXPFA-LLVKDONJSA-N	284.400	2.727	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2C[C@@H]3CC[C@@H]2O3)cc1Cl	160247044	KMOGUDNTUQGRLK-LOWVWBTDSA-N	295.766	2.879	70	20	CFID	
COc1cc(NCCOCC(F)(F)F)ccc1F	160291010	GFSWKAQPKOSQRY-UHFFFAOYSA-N	267.222	2.825	70	20	CFID	
CNC(=O)c1ccc(NC(=O)[C@H]2CCCS2)c(Cl)c1	160345533	FWVMCACNYUGPNL-LLVKDONJSA-N	298.795	2.534	70	20	CFID	
CC[C@H](N[C@H](CCO)CSC)c1ccccc1OC	160375394	JRBRVYYUXKVODF-OCCSQVGLSA-N	283.437	2.850	70	20	CFID	
CC(C)c1nccc(N2CCN(c3cccs3)CC2)n1	160684518	YGBOICAPPIRPMW-UHFFFAOYSA-N	288.420	2.988	70	20	CFID	
CC[C@H](C)CN(C)C(=O)Nc1ccn(CC(F)(F)F)n1	160884605	WKIFRZJVCLVKQQ-VIFPVBQESA-N	292.305	2.955	70	20	CFID	
Cc1cc(NC(=O)c2cnc(C(C)C)s2)c[nH]c1=O	159684278	PGSOUFYLUGUFMP-UHFFFAOYSA-N	277.349	2.516	70	20	CFID	
O=C(Nc1cc(-c2ccccc2)on1)[C@H]1CCCCO1	159723698	BZTQASMBAFLBFL-GFCCVEGCSA-N	272.304	2.849	70	20	CFID	
CCc1noc(C)c1CS[C@@H](C)C(=O)NCC(C)C	159969958	PTLVBFREKVUKGV-NSHDSACASA-N	284.425	2.939	70	20	CFID	
CC1(C)CC(NC(=O)CNCC(F)(F)F)CC(C)(C)C1	159734483	KCIIAAZAHSRJOW-UHFFFAOYSA-N	294.361	2.859	70	20	CFID	
CN[C@H]1CCN(C(=O)CCCC2CCCCC2)C1	160642632	LJOSWMZIDJDFPO-AWEZNQCLSA-N	252.402	2.557	70	20	CFID	
CC(C)C[C@H](CO)Nc1ccncc1Br	159826944	RPZPLCLDMMWCSS-SECBINFHSA-N	273.174	2.663	70	20	CFID	
C[C@@H](c1ccncc1)N(C)CCCN1CCCCC1	161460253	JRMFKRBJNDYUTG-HNNXBMFYSA-N	261.413	2.950	70	20	CFID	
O=C(NCC1=CCCCC1)c1ccc(S(=O)(=O)F)cc1	864241895	PAHOHOCDJBUFQA-UHFFFAOYSA-N	297.351	2.575	70	20	CFID	
O=S(=O)(Cl)CCCOc1ccc(Cl)cc1	100495416	SREJIYPXEXXRMV-UHFFFAOYSA-N	269.149	2.678	70	20	CFID	
C[C@H](CC(=O)NC[C@H]1CCOC1)c1ccc(F)cc1F	161104573	POSBCDIFMPQYET-GHMZBOCLSA-N	283.318	2.611	70	20	CFID	
CCC(CC)(CN)C(=O)Nc1cnn(-c2ccccc2)c1	161195954	MRAQRIHCZNGDAF-UHFFFAOYSA-N	286.379	2.576	70	20	CFID	
CC[C@H](Cc1ccccc1)N(CC)C(=O)C[C@H]1CCCN1	161437143	ZKLBCSDNXTVLGI-IAGOWNOFSA-N	288.435	2.998	70	20	CFID	
O=C(COCC1CC1)O[C@@H](c1ccccn1)C(F)(F)F	160240854	DFAKBHHGXOABOF-LBPRGKRZSA-N	289.253	2.655	70	20	CFID	
Brc1cnc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1	160268648	ZCFPVBCAWHLQTH-WDEREUQCSA-N	298.184	2.609	70	20	CFID	
CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccccc1Cn1cccn1	160334585	RSNOPBZFZSZSOX-AEFFLSMTSA-N	297.402	2.984	70	20	CFID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NC1CCN(C2CCCC2)CC1	160477142	WQFFVTFWECRWJF-RKVPGOIHSA-N	293.499	2.712	70	20	CFID	
CC1(C)CC[C@H](NCCNC(=O)C2CC2)c2ccccc21	160694678	UCCOAGGOXVNMJG-INIZCTEOSA-N	286.419	2.915	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@@H]1CCN(C2CCCC2)C1	160874442	SJPJKMXIBRZJBL-CYBMUJFWSA-N	281.444	2.881	70	20	CFID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](CC)OC1CCCCC1	160884763	SMCPQFSZZFANNV-JSGCOSHPSA-N	299.411	2.572	70	20	CFID	
CCOC[C@@H](O)CN[C@@H](C)c1ccc(SCC)cc1	159637828	SWQAGQCJSGUYFA-JSGCOSHPSA-N	283.437	2.847	70	20	CFID	
Cc1nc(CC(C)C)c(NC(=O)C[C@H]2COC(=O)C2)s1	159639369	UDDNWCHPDSMZGC-SNVBAGLBSA-N	296.392	2.542	70	20	CFID	
CN(CCOCc1ccccc1)C(=O)C[C@H]1CCCCO1	159493363	PMEXYMMTLJSAQF-MRXNPFEDSA-N	291.391	2.621	70	20	CFID	
CCCCOCCNC(=O)Nc1cnn(CCCC)c1C	159891376	GANSVSDGTHFJBR-UHFFFAOYSA-N	296.415	2.930	70	20	CFID	
C[C@@H](c1ccc(F)c(F)c1)N(C)CCn1ccnc1	159709476	LHWCJTQQNIGKNK-NSHDSACASA-N	265.307	2.854	70	20	CFID	
Cc1nc(O)ccc1C(=O)N(C)[C@@H](C)c1ccco1	159556671	PSCMTWUVBPZBAZ-JTQLQIEISA-N	260.293	2.522	70	20	CFID	
CCC[C@H]1SCCN1C(=O)c1cccc2[nH]cnc12	159559778	BYUSTJZZTVUPDS-GFCCVEGCSA-N	275.377	2.878	70	20	CFID	
CCN1CCCN(C(=O)NCC2(CC(C)C)CC2)CC1	159970769	GMISMCDWPBKEIS-UHFFFAOYSA-N	281.444	2.550	70	20	CFID	
CCCC1(CNC(=O)N(C)CC2CCOCC2)CC1	159975169	LJCRBCDZYUYYTJ-UHFFFAOYSA-N	268.401	2.635	70	20	CFID	
CC(=O)NCCCNC(C)(C)c1ccc(Cl)cc1	159586643	LMUARCNVDKEGQX-UHFFFAOYSA-N	268.788	2.691	70	20	CFID	
Cc1nn(C(C)(C)C)c(=O)n1CCC1CCCC1	159593493	JRMXTGHYTODBNF-UHFFFAOYSA-N	251.374	2.689	70	20	CFID	
COc1ccc(OC)c([C@H](O)CN2C[C@H](C)C[C@@H](C)C2)c1	216904669	CKXMXCIWYKFKLX-XJKCOSOUSA-N	293.407	2.715	70	20	CFID	
CCN(CCCO)C(=O)c1oc2c(F)cccc2c1C	160478830	AEFOXTNMCYDUDI-UHFFFAOYSA-N	279.311	2.725	70	20	CFID	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@H](C)N	218302242	WLDBTXAXXDAOQJ-ZJUUUORDSA-N	260.303	2.573	70	20	CFID	
O=C(Cl)c1cc(S(=O)(=O)Cl)cc(Cl)c1F	159132590	AKFITVYIQWAJBT-UHFFFAOYSA-N	291.514	2.786	70	20	CFID	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCCNC2)C1	161047405	TZOXYRDHWCTASB-JGGQBBKZSA-N	290.382	2.735	70	20	CFID	
CC(=O)NC1CCC(N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1	161247380	CPJYIPTVLLAMTA-KIUMHBGUSA-N	278.440	2.848	70	20	CFID	
CC(=O)NC1CCC(N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1	161247607	CPJYIPTVLLAMTA-RFOIGQCRSA-N	278.440	2.848	70	20	CFID	
C[C@H](NCC(C)(C)O)c1ccc(F)cc1OC(F)F	160650657	GOVPIJSXJWAQOC-QMMMGPOBSA-N	277.286	2.849	70	20	CFID	
Cc1cc(F)c(C(=O)NCCc2ccccn2)cc1F	160825981	HANFEKMVVQUIAX-UHFFFAOYSA-N	276.286	2.641	70	20	CFID	
CC[C@@H]1CN(Cc2c(C)nc3ccccn23)CCS1	160883707	GKBAUUOHISBUPC-CYBMUJFWSA-N	275.421	2.970	70	20	CFID	
CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CCCC2)C1	160886537	XRQIJSDXZCEYMI-HUUCEWRRSA-N	293.455	2.977	70	20	CFID	
CC(C)NCCC(=O)NCCCCC1CCCC1	160900416	VIHNIRFWUPEMPR-UHFFFAOYSA-N	254.418	2.851	70	20	CFID	
Cc1noc(C)c1[C@@H](C)C(=O)NCC1(C2CC2)CC1	159803353	MHFCICQDPHZXJE-SECBINFHSA-N	262.353	2.701	70	20	CFID	
CC(C)OC1CCC(NC(=O)[C@@H]2CC23CCOCC3)CC1	159443417	RMCWEXACCKFDKS-NRXISQOPSA-N	295.423	2.656	70	20	CFID	
C/C=C/COc1ccc(CC[C@H](C)NCCO)cc1	159694441	QRDPLJGUDLVHAI-XGACYXMMSA-N	263.381	2.545	70	20	CFID	
C[C@@H]1CSc2ccccc2N(C(=O)C2=COCCO2)C1	159513639	LXVZRMXPVYZUAL-NSHDSACASA-N	291.372	2.650	70	20	CFID	
Cc1nc(C)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1	159474831	MUELZHQHAIWSOM-YUTCNCBUSA-N	278.421	2.807	70	20	CFID	
CCN(C)C(=O)N1CCN(c2ccccc2Cl)CC1	160341334	ROTBCJWRCAUQHU-UHFFFAOYSA-N	281.787	2.534	70	20	CFID	
CNC(=O)C(C)(C)CNc1nc2ccccc2cc1C	161077896	AFTFCVRGEXVJII-UHFFFAOYSA-N	271.364	2.727	70	20	CFID	
CCOc1ccc([C@@H](F)CS(=O)(=O)Cl)cc1OC	1537959017	UIPADHIOTBZYFN-VIFPVBQESA-N	296.747	2.673	70	20	CFID	
C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ns1	159860698	RJMZSMQZZUPTIL-MNOVXSKESA-N	282.457	2.612	70	20	CFID	
Cc1ccc(F)c(NCc2nnc3n2CCCC3)c1	217317838	RGMZHYLEXOPOTP-UHFFFAOYSA-N	260.316	2.674	70	20	CFID	
Cc1ccc(C(N)=O)cc1NCC1=Cc2ccccc2OC1	160040201	HVDLPANNMHLXQW-UHFFFAOYSA-N	294.354	2.982	70	20	CFID	
CCO[C@H](CCNC(=O)CO[C@@H](C)CC)C1CCCC1	160046208	AKQXYPBANCZEKA-DZGCQCFKSA-N	285.428	2.903	70	20	CFID	
CCSCc1ccc(C(=O)N2CCC[C@@H]2CN)cc1	160233482	UBKSFOHBFILSGN-CQSZACIVSA-N	278.421	2.503	70	20	CFID	
CC[C@@H](NC(=O)[C@@H](C)CSC)c1c(C)noc1C	160307466	WRVOLMTWOYOISN-GZMMTYOYSA-N	270.398	2.858	70	20	CFID	
CCOC(=O)c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)nc1	160341951	DDSKPGXFCSOFGT-KBPBESRZSA-N	290.363	2.628	70	20	CFID	
CCC(N)(CC)CNC(=O)C[C@@H](C)c1ccccc1OC	160438772	JZSKUMQBDSVNMR-CYBMUJFWSA-N	292.423	2.823	70	20	CFID	
O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc2[nH]cnc2c1	160611859	OIQKKPGRDZBFKY-XOKHGSTOSA-N	289.338	2.631	70	20	CFID	
CC(C)(O)CN[C@@H]1CC2(CCC2)Oc2ccccc21	160630419	SQONDVABWVDJGJ-CYBMUJFWSA-N	261.365	2.793	70	20	CFID	
CC(C)(O)CN[C@H]1CCC[C@@H]1c1ccc(F)cc1	160632463	CQGOZSYFCBJXBY-KGLIPLIRSA-N	251.345	2.822	70	20	CFID	
COC(C)(C)C[C@@H](C)NC(=O)Cc1nc(C)sc1C	160896080	NCSNLSUQJCOXOS-SECBINFHSA-N	284.425	2.622	70	20	CFID	
CCOc1cccc(CN[C@@H](C)CC(=O)N(CC)CC)c1	159408872	GJJAEBHFMUXCER-AWEZNQCLSA-N	292.423	2.822	70	20	CFID	
O=C(CC(F)(F)F)NCCc1cc2ccccc2[nH]1	159617131	NWMZDFYRRWKYFS-UHFFFAOYSA-N	270.254	2.779	70	20	CFID	
CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCc2ccccc21	159514459	STXYXHDAVBMBCB-RBSFLKMASA-N	274.364	2.541	70	20	CFID	
Cc1nccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)c1Cl	159947571	UPRXNGAXLFRNEX-LLVKDONJSA-N	297.786	2.811	70	20	CFID	
COc1ccccc1SCC(=O)Nc1nc(C)ns1	159557354	QTVSENNEHOISQV-UHFFFAOYSA-N	295.389	2.586	70	20	CFID	
Cc1nccc(NC(=O)NCCc2cscn2)c1Cl	159385749	XUAOFKHZOYJNAP-UHFFFAOYSA-N	296.783	2.864	70	20	CFID	
CCO[C@H]1C[C@@H](NCc2nn(C)c3ccccc23)C1(C)C	217879760	CKQVJJGGWWUJBC-CVEARBPZSA-N	287.407	2.867	70	20	CFID	
CCn1ccnc1CN1CC[C@@H](c2ccccc2)C1	160875540	GZMKLUBBYYQRAX-OAHLLOKOSA-N	255.365	2.893	70	20	CFID	
Cc1[nH]ncc1CCCNCc1cccc2cc[nH]c12	218100670	SRFHNNXKSNZUND-UHFFFAOYSA-N	268.364	2.922	70	20	CFID	
CCCN(CC1CC1)C(=O)NCC1(CCOC)CC1	161041548	GZRNSWSNZXCBEO-UHFFFAOYSA-N	268.401	2.635	70	20	CFID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)NC1CCCCC1	161095376	QGMOEIXHVPKTFE-AWEZNQCLSA-N	289.423	2.741	70	20	CFID	
CC[C@H](NC(=O)c1cc(C)ncn1)c1ccc(OC)cc1	161380534	OOZNPEOURVRGMK-AWEZNQCLSA-N	285.347	2.675	70	20	CFID	
Cc1ccc(NC(=O)NCCCOc2ccccc2)cn1	161395557	LFBXMYZFBIEJIR-UHFFFAOYSA-N	285.347	2.981	70	20	CFID	
CC(=O)NC1CCC(N[C@@H](C)c2nc(C)cs2)CC1	161415364	QONPEMAMIBSRPY-PKSQDBQZSA-N	281.425	2.549	70	20	CFID	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H](C)N	161415817	NYBZDQCZHCIBOV-ZWNOBZJWSA-N	298.814	2.899	70	20	CFID	
CCNC(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F	161502622	GFMBHSRAIOFODP-JTQLQIEISA-N	276.258	2.618	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCF	160043124	IMFVQHZXTIWLMR-SNVBAGLBSA-N	257.736	2.994	70	20	CFID	
O=C(NCCc1cccc(O)c1)c1ccnc2ccccc12	160156619	WKGQBRALVWUPEP-UHFFFAOYSA-N	292.338	2.913	70	20	CFID	
Cn1cccc1C(=O)N[C@@H]1CCCc2sccc21	160164400	VCXYCWQZOYWDGK-LLVKDONJSA-N	260.362	2.894	70	20	CFID	
COc1ccc(N(C)C(=O)[C@@H]2CCCOC2)cc1Cl	160179679	SIYKTXIPSOXAGX-SNVBAGLBSA-N	283.755	2.738	70	20	CFID	
C[C@H](N)[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160196476	VWGVGYXHSHPERB-OADHPXTJSA-N	290.451	2.787	70	20	CFID	
COc1cc(NC(=O)NCC(F)(F)F)ccc1F	160230660	MVPGWNCFGSZJQF-UHFFFAOYSA-N	266.194	2.518	70	20	CFID	
COc1ccc([C@@H](C)[C@@H](C)N[C@@H](CCO)CSC)cc1	160306205	YMEOILKLOHYRDS-GUTXKFCHSA-N	297.464	2.891	70	20	CFID	
CC(C)N(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	160380492	XCBZKZPTLOSQNC-GOEBONIOSA-N	289.423	2.699	70	20	CFID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(N2CCNC2=O)cc1	160413241	JUGPSGRRZURNIN-XJKSGUPXSA-N	287.363	2.591	70	20	CFID	
Cc1c(C(=O)Nc2ccnn2C(C)C)cnn1CC(C)C	160486107	NPHKBPVUPOLKGD-UHFFFAOYSA-N	289.383	2.877	70	20	CFID	
CC[C@]1(C)CCCN(C(=O)c2cnc3c(c2)ncn3C)C1	160650066	YDYHZLPFWLOXRB-MRXNPFEDSA-N	286.379	2.621	70	20	CFID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccn(C)n1	160764544	YWEXRORRWBOXSP-SNVBAGLBSA-N	277.755	2.891	70	20	CFID	
CCOC(=O)C1(C(=O)NC[C@H]2CCC[C@@H](C)C2)CCC1	160785529	IYAIDDRPKIDSIT-OLZOCXBDSA-N	281.396	2.662	70	20	CFID	
COC(C)(C)C[C@@H](C)NC(=O)[C@H](C)[C@H](N)c1ccccc1	160966675	KPFSLHDREJERLQ-NFAWXSAZSA-N	292.423	2.642	70	20	CFID	
CS[C@@H](C)CC(=O)Nc1cccnc1OC(C)C	159928787	HTWMSORVICUIQV-JTQLQIEISA-N	268.382	2.949	70	20	CFID	
CCOc1ccc(NC(=O)CO[C@@H](C)CC)cc1F	159936841	FWSPISXOQJYEOF-JTQLQIEISA-N	269.316	2.978	70	20	CFID	
CC(=O)Nc1cc(C(=O)N2CCC2)cc(C(F)(F)F)c1	159566244	FITSZXKZDODQNJ-UHFFFAOYSA-N	286.253	2.510	70	20	CFID	
CCCn1nccc1CNc1ccc(N(C)C)cc1	160004604	XGRYMZINATUWIT-UHFFFAOYSA-N	258.369	2.971	70	20	CFID	
N[C@H](Cc1nc([C@H]2CCCS2)no1)c1ccccc1	160625118	JDUOMIKGJQHLGM-VXGBXAGGSA-N	275.377	2.880	70	20	CFID	
CC(C)[C@@H](CCO)NC(=O)C1(c2ccc(Cl)cc2)CC1	160770726	HRKODCILGUKIIJ-CQSZACIVSA-N	295.810	2.895	70	20	CFID	
CC[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cl	88251399	IJNXCXAXXIOCMH-VIFPVBQESA-N	263.702	2.615	70	20	CFID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)C1CCCC1	857674799	QJIBHPMJYMADKF-UHFFFAOYSA-N	289.303	2.613	70	20	CFID	
CC[C@H]1CCCC[C@@H]1NCC(=O)N(C)CC(F)(F)F	161429502	ICZIXJSNDGJPFQ-QWRGUYRKSA-N	280.334	2.566	70	20	CFID	
Cc1nc(CNC(=O)[C@H]2CCC[C@@H](C)C2)cs1	161008834	VVAVAIQJHYGBQJ-KOLCDFICSA-N	252.383	2.894	70	20	CFID	
Cc1cc(C(=O)N(Cc2ccccc2)C2CC2)ncn1	161413184	CXYBFOYMXSMTJN-UHFFFAOYSA-N	267.332	2.590	70	20	CFID	
CN(CCOc1ccc2ccccc2c1)[C@@H](CN)C1CC1	160139361	MDVDHZRPHRKQHZ-SFHVURJKSA-N	284.403	2.888	70	20	CFID	
CS[C@@H](C)CC(=O)NCCc1c(F)cccc1F	160215659	WGDTYSRFIDSNOG-VIFPVBQESA-N	273.348	2.765	70	20	CFID	
CCCC(C)(C)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160373176	RBXCIQFAHYVFDQ-CHWSQXEVSA-N	268.401	2.822	70	20	CFID	
CCCC1(CNC(=O)COc2cccc(C(C)=O)c2)CC1	160636968	KEODZEDBHIAAHL-UHFFFAOYSA-N	289.375	2.965	70	20	CFID	
CCCC1(CNC(=O)CN(C)Cc2ccccc2)CC1	160664237	RTZJYYYFIQHODW-UHFFFAOYSA-N	274.408	2.815	70	20	CFID	
Cc1nccc(NC(=O)N(C)CC2(O)CCCC2)c1Cl	159766516	AMDIHSLYJQOQOW-UHFFFAOYSA-N	297.786	2.812	70	20	CFID	
CC(C)COCC[C@@H](C)CCS(=O)(=O)Cl	115235145	LOXMAMRUHMGMCJ-SNVBAGLBSA-N	256.795	2.644	70	20	CFID	
NC[C@H](Nc1nnc(C(F)(F)F)s1)C1CCCCC1	160390453	BJXJOJDKSOQSSI-QMMMGPOBSA-N	294.346	2.876	70	20	CFID	
CC1(C)C[C@@H](NCc2cnn(Cc3ccccc3)c2)CCO1	160645092	GGLGCAWQOITSKW-KRWDZBQOSA-N	299.418	2.979	70	20	CFID	
C[C@H](NC[C@@H](C)COCc1ccccc1)c1cnn(C)c1	161299435	FZBSKHREYHZCCD-CABCVRRESA-N	287.407	2.924	70	20	CFID	
CC(C)OCCC(=O)N1CCc2c(F)cccc2C1	161023246	CNNFTDJOBRIJHZ-UHFFFAOYSA-N	265.328	2.526	70	20	CFID	
COCCC1(CNC(=O)N[C@H](C)CSC)CCCC1	161076303	ZIIRBTLLMJTAMA-GFCCVEGCSA-N	288.457	2.634	70	20	CFID	
O=C([C@H]1CCCOC1)N1CCc2c(Cl)cccc21	161442918	QTIWAHFLVWURJR-JTQLQIEISA-N	265.740	2.656	70	20	CFID	
CSc1ccc(C(=O)NCC2(C3CC3)CC2)o1	160035622	JLNLWEHOZTXQQD-UHFFFAOYSA-N	251.351	2.922	70	20	CFID	
CCC[C@@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1	160104841	IBZDURDEMMPUNE-WBVHZDCISA-N	274.408	2.694	70	20	CFID	
CN1CCC(Oc2ccc(NCc3cccnc3)cn2)CC1	160177492	PRBRXGBRCWVCLE-UHFFFAOYSA-N	298.390	2.562	70	20	CFID	
CC[C@@H](COC)NC[C@@H](C1CCCCC1)N(C)C	160418351	AESASXQHYYRRCG-GJZGRUSLSA-N	256.434	2.512	70	20	CFID	
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cccc(F)n1)C2	160511762	RRZABKJMZAOJOB-CYBMUJFWSA-N	286.306	2.780	70	20	CFID	
CC[C@@]1(C)C[C@H]1C(=O)NC1(c2noc(C)n2)CCCC1	160729741	RUQTVGHJHCUQRU-FZMZJTMJSA-N	277.368	2.700	70	20	CFID	
C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccn(CC(F)(F)F)n1	160760218	VNWGGWOZFGCRQJ-RKDXNWHRSA-N	290.289	2.850	70	20	CFID	
Cc1ncc([C@@H](C)NCc2cn3ccccc3n2)c(C)n1	159414665	SDPPVPXXYRLCHD-LLVKDONJSA-N	281.363	2.592	70	20	CFID	
CC(C)N1CC[C@@H](N[C@H](C)c2cccc(F)c2F)C1=O	159443374	DJFISYJOFBCHET-ZWNOBZJWSA-N	282.334	2.625	70	20	CFID	
COCCC1(CNCc2ccccc2NC(C)=O)CC1	160585955	MGPKVFQCFQSWKP-UHFFFAOYSA-N	276.380	2.551	70	20	CFID	
Cc1cccc(F)c1NC(=O)c1cnc2c(c1)ncn2C	161113140	CYUOQZFREOTVNV-UHFFFAOYSA-N	284.294	2.668	70	20	CFID	
CCCC[C@H](COC)NC[C@H]1CCCCN1CC	161191679	OQSMVPSYARJZIQ-HUUCEWRRSA-N	256.434	2.656	70	20	CFID	
C[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1	161281743	ADZJYZGFBHAASG-MNOVXSKESA-N	293.436	2.896	70	20	CFID	
Cc1ccccc1OCCCC(=O)N[C@@H]1CCC[C@H](N)C1	161336031	MYBAMYHDLAGMRB-LSDHHAIUSA-N	290.407	2.540	70	20	CFID	
CC(C)CCn1ccc(NC(=O)NCc2ccn(C)c2)n1	161373948	AWOWJNYOEALARW-UHFFFAOYSA-N	289.383	2.589	70	20	CFID	
C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2ncn(C)n2)c1	161475731	HRFCEHXSHKGFNY-GFCCVEGCSA-N	299.378	2.888	70	20	CFID	
COCC(C)(C)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160152089	XWWIGKICSFKAHT-ZDUSSCGKSA-N	283.412	2.657	70	20	CFID	
COc1cc(CCC(=O)N(C)CC[C@@H](C)O)ccc1Cl	160613867	OCFABUZIFHYDNE-LLVKDONJSA-N	299.798	2.511	70	20	CFID	
CC1(CNC(=O)Nc2ccn(CC(F)(F)F)n2)CCC1	160911862	DKFKFNPMFNUWRD-UHFFFAOYSA-N	290.289	2.757	70	20	CFID	
CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1CCc2ccccc21	160997224	CKXYXWFNZGWDRB-ZBFHGGJFSA-N	288.435	2.953	70	20	CFID	
CCC(C)(CC)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1	159400772	IKOSAXMPLVFHAF-NSHDSACASA-N	294.361	2.908	70	20	CFID	
CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(O)nc1C	159817309	RDVQQHLEYDZVMB-WCQYABFASA-N	262.353	2.794	70	20	CFID	
CCOC[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1	159817599	YPGWAMGEKZWIMQ-SNVBAGLBSA-N	269.414	2.698	70	20	CFID	
CCN(Cc1ccc2c(c1)OCO2)C(=O)C1=CCCC1	159646900	VBHQSJOTUUQFJC-UHFFFAOYSA-N	273.332	2.874	70	20	CFID	
C[C@H]1CCN(C(=O)NCc2cn3ccccc3n2)C[C@@H]1C	159888075	SAZDEBAZYWVMPI-STQMWFEESA-N	286.379	2.522	70	20	CFID	
COCCOc1ccc(F)cc1NC(=O)NC1CC=CC1	159707867	AWCNNHDEYMYMSZ-UHFFFAOYSA-N	294.326	2.691	70	20	CFID	
CC(=O)Nc1cc(N[C@@H](C)CCn2cccn2)ccc1F	159366030	GYVMTENMKBRPSO-NSHDSACASA-N	290.342	2.871	70	20	CFID	
CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H]2CC)C1	159558948	ZVUHLOMCONTEFP-RRFJBIMHSA-N	294.439	2.720	70	20	CFID	
O=C(NCCc1cccc(F)c1)N1CCC2(CCC2)C1	159386417	XQHFHLFTWMLSSO-UHFFFAOYSA-N	276.355	2.954	70	20	CFID	
COCCn1cc(NCc2c(C)cccc2C)cn1	160419628	ZOIRABSJYWWLTD-UHFFFAOYSA-N	259.353	2.758	70	20	CFID	
N[C@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1	161392793	IHSJYNHIQMSXLB-NWDGAFQWSA-N	286.297	2.705	70	20	CFID	
O=C(Cc1noc2ccccc12)N1[C@H]2C=CC[C@H]1CC2	218733109	SPWYYFNMBNFEPL-RYUDHWBXSA-N	268.316	2.690	70	20	CFID	
CCc1ncnc(NC[C@@]2(C)CCCS2)c1F	218067377	JSMFTWBSJQSIPO-GFCCVEGCSA-N	255.362	2.876	70	20	CFID	
Cc1ccc(OCCN(C)C[C@H](O)Cc2ccccc2)cc1	218763353	YFDPYQCUICPBTQ-GOSISDBHSA-N	299.414	2.909	70	20	CFID	
CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675548	RGJWKEAGIYLMLZ-QMMMGPOBSA-N	273.329	2.638	70	20	CFID	
Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)ncn1	161238404	NOZMOKBLZJPZFD-JTQLQIEISA-N	275.739	2.929	70	20	CFID	
CC1(C(=O)NCCCCOc2ccc(F)cc2)CC1	160165369	ZVEVCAJOPUUTFP-UHFFFAOYSA-N	265.328	2.901	70	20	CFID	
CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCO1	160352814	XFQXVTZMTNNEEW-NEPJUHHUSA-N	295.329	2.706	70	20	CFID	
CCO[C@@H]1C[C@H](N(C)C(=O)CCCCCCN)C1(C)C	160498318	IKUSHIKWOXUYHW-UONOGXRCSA-N	284.444	2.558	70	20	CFID	
CCc1nc(CN(C)c2ccc(F)c(Cl)c2)n[nH]1	160646208	NQUAVOGAJUJPDM-UHFFFAOYSA-N	268.723	2.796	70	20	CFID	
COCc1cc(N[C@@H]2CCCCC2(C)C)n2ncnc2n1	160707151	AEYQARDMEYLKCR-GFCCVEGCSA-N	289.383	2.651	70	20	CFID	
CCc1ccccc1C(=O)NCCCOCC1CC1	160842317	CUTPMFIBPTWRNL-UHFFFAOYSA-N	261.365	2.796	70	20	CFID	
CO[C@@]1(C)C[C@H](N(C)Cc2cnc3ccccn23)C1(C)C	160899500	GRVSLKZOXLOPRS-YOEHRIQHSA-N	287.407	2.970	70	20	CFID	
Cc1noc(C)c1[C@H](C)C(=O)NCC1(C2CC2)CC1	159803485	MHFCICQDPHZXJE-VIFPVBQESA-N	262.353	2.701	70	20	CFID	
CC[C@@H](C)CS(=O)(=O)N1CCCc2ccccc21	159456422	KVKZDWDTHFHDLT-GFCCVEGCSA-N	267.394	2.815	70	20	CFID	
Cc1ccc(C[C@H](C)NS(=O)(=O)CCC(C)C)s1	159662289	CTTNABFKNPLUFD-NSHDSACASA-N	289.466	2.953	70	20	CFID	
COCC1CCN(C(=O)[C@H](C)c2cccs2)CC1	159957246	HYUPOOGYVZGDTM-LLVKDONJSA-N	267.394	2.737	70	20	CFID	
CC(C)[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	159966343	SUNYYNJHLGCSFA-NVXWUHKLSA-N	290.407	2.940	70	20	CFID	
COc1cc(C(=O)NCC2(C3CC3)CC2)ccc1C	159979369	LTDWOAJLMUGFSE-UHFFFAOYSA-N	259.349	2.924	70	20	CFID	
CC[C@@H](OC1CCCCC1)C(=O)NCC(C)(C)CN(C)C	159583537	FNNAGJLMHKBHSV-OAHLLOKOSA-N	298.471	2.818	70	20	CFID	
CCSCC[C@H](C)NC(=O)[C@H]1CNCc2ccccc21	160208962	WDXYFKKIUWLOSN-WFASDCNBSA-N	292.448	2.521	70	20	CFID	
COC(=O)[C@@H]1CN(C(=O)c2cccc(C)c2Cl)C[C@H]1C	160406807	NXGOEPVYRLECOV-ZYHUDNBSSA-N	295.766	2.530	70	20	CFID	
Cc1ccc(SCC(=O)N[C@@H](CCO)C(C)C)cc1	160631469	OGIYBYPEWIGLJS-AWEZNQCLSA-N	281.421	2.610	70	20	CFID	
c1cnc2c(CN[C@@H]3CCN4CCCC[C@@H]34)cccc2c1	217632183	WEROAEBXSYCOFV-SJORKVTESA-N	281.403	2.951	70	20	CFID	
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864238112	FBKOZMRHUUUXRY-MFKMUULPSA-N	299.367	2.653	70	20	CFID	
O=S(=O)(Cl)CC1CCC(C(F)(F)F)CC1	156943568	OZDQXYVHSFIUQY-UHFFFAOYSA-N	264.696	2.924	70	20	CFID	
Cc1ccc(S[C@H](C)C(=O)N[C@@H](CO)CC(C)C)cc1	161007146	UIVZEWMACLFDPG-ZIAGYGMSSA-N	295.448	2.999	70	20	CFID	
COc1ccc(OCc2nccs2)c(C(C)=O)c1	161135867	WHEBOVZIOQJWFI-UHFFFAOYSA-N	263.318	2.933	70	20	CFID	
CCc1nc(C)c([C@@H](C)NC2CCN(C)CC2)s1	161420870	PKKRFFVEZNGYPW-SNVBAGLBSA-N	267.442	2.759	70	20	CFID	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)CC(C)C)c1	161438177	UGVMJGPDWCEEQR-QWHCGFSZSA-N	298.452	2.680	70	20	CFID	
O=C(CC[C@H]1CCCO1)N[C@H]1CCOC2(CCCCC2)C1	160325233	ZXJUMOKLDLJTMI-LSDHHAIUSA-N	295.423	2.944	70	20	CFID	
CCc1ccc(/C=C/C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1	160397877	QWIBUIJQTPLKQC-PVBCXJELSA-N	289.375	2.785	70	20	CFID	
COCCCC[S@](=O)c1ncc(C(C)(C)C)s1	160434291	VJYTVCWXCRITPS-QGZVFWFLSA-N	275.439	2.975	70	20	CFID	
CCCC1(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1	160575687	WCONMQORAYELNV-AWEZNQCLSA-N	277.339	2.826	70	20	CFID	
CC[C@H](NC(=O)[C@H]1CC1(C)C)c1c(C)noc1C	160577004	ZHULFGPVDDFLEO-MNOVXSKESA-N	250.342	2.905	70	20	CFID	
O=C(NCC1(C2CC2)CC1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	160589069	WXIJKMNRPDDQCB-ARFHVFGLSA-N	282.387	2.814	70	20	CFID	
CC(C)(O)CN[C@H]1CC2(CCC2)Oc2ccccc21	160630548	SQONDVABWVDJGJ-ZDUSSCGKSA-N	261.365	2.793	70	20	CFID	
CCOCc1cccc(NC(=O)N2CCC[C@](C)(O)C2)c1	160891095	RBQGFTAKYUGAQQ-INIZCTEOSA-N	292.379	2.602	70	20	CFID	
CC[C@H](C)[C@H](NCc1cn(C)nc1C)C(=O)OC(C)(C)C	160949114	FXLITTWIAFJJKE-FZMZJTMJSA-N	295.427	2.575	70	20	CFID	
CCCc1nnc(NC(=O)[C@@H]2C[C@@]2(C)CC)s1	159837675	GFQFMPYPZZKUBE-QPUJVOFHSA-N	253.371	2.865	70	20	CFID	
Cc1cccc([C@H]2CCCN2Cc2cccc(C(N)=O)c2)n1	159879192	HXGBXHOUZWSKAK-QGZVFWFLSA-N	295.386	2.826	70	20	CFID	
CC(C)CONC(=O)Nc1ccc2c(c1)OC(C)(C)O2	159584563	KJGTYVDVMMLRSG-UHFFFAOYSA-N	280.324	2.903	70	20	CFID	
CN(CCc1ccccc1Cl)C[C@H]1CCC[C@@H]1O	159586163	DQFDFJWVVMWPPE-HIFRSBDPSA-N	267.800	2.975	70	20	CFID	
COCCCCCNCc1ccccc1NC(C)=O	160370636	DSJSOVMDAKYRPO-UHFFFAOYSA-N	264.369	2.551	70	20	CFID	
C[C@@H](CC(F)F)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460095167	RJSMMOSCRZOLRS-ZETCQYMHSA-N	295.282	2.575	70	20	CFID	
CCN(CCNC(=O)[C@@H](C)c1ccsc1)C(C)C	160178065	RRIQOIINJFEHIL-LBPRGKRZSA-N	268.426	2.698	70	20	CFID	
CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674026	OVKVUGUMSHHPDQ-CYBMUJFWSA-N	298.339	2.532	70	20	CFID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1csc2c1CCCC2	218016906	ZVODPMKBDFHCDT-ZWNOBZJWSA-N	279.405	2.518	70	20	CFID	
Cc1ccc([C@@H]2COCCN2CCCN2CCCCC2)o1	161149261	NKOBEYVCZMXMST-INIZCTEOSA-N	292.423	2.837	70	20	CFID	
CC[C@](C)(O)CN1CCC(Nc2cccc(OC)c2)CC1	161347163	GHBGLKXZRBLHDZ-KRWDZBQOSA-N	292.423	2.733	70	20	CFID	
Cc1nc(Cn2nc(C3CC3)nc2C2CC2)oc1C	161496246	HUPAVOIFAINWSO-UHFFFAOYSA-N	258.325	2.686	70	20	CFID	
CC(C)Cn1ncc(C(=O)NC2CC=CC2)c1C1CC1	160022066	QVXSAQZZBSNMCR-UHFFFAOYSA-N	273.380	2.865	70	20	CFID	
O=C(NCC1(C2CC2)CC1)c1cnn(-c2ccccc2)c1	160121509	VLDFAXBOCGRCDI-UHFFFAOYSA-N	281.359	2.792	70	20	CFID	
CCCCNC(=O)NCc1nnc(-c2ccccc2)s1	160210225	VDAXKGZBWCOMFY-UHFFFAOYSA-N	290.392	2.804	70	20	CFID	
CC(C)(C)c1nsc(N(C[C@@H]2CCOC2)C2CC2)n1	160358805	CKVVNVSNORGWHY-JTQLQIEISA-N	281.425	2.841	70	20	CFID	
Cc1cc(F)cc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)c1	160598732	WLOLMRCGUTXSJQ-NWDGAFQWSA-N	280.343	2.759	70	20	CFID	
CC(C)c1cc(=O)n(CC(=O)c2ccc(F)c(F)c2)cn1	160737582	JANJNZNMWRQDDS-UHFFFAOYSA-N	292.285	2.528	70	20	CFID	
COCCC1(CNC(=O)C[C@H](C)c2c(C)noc2C)CC1	160760059	ABERRLZCNXRBHN-NSHDSACASA-N	294.395	2.718	70	20	CFID	
COC(=O)c1csc(NC(=O)N2CCC3(CCC3)C2)c1	160774558	BGUMCYRSSALQCY-UHFFFAOYSA-N	294.376	2.943	70	20	CFID	
O=C(CC1CC1)N[C@@H]1CCOC2(CCCCC2)C1	160777372	ZYZDWWXCLFRDGJ-CYBMUJFWSA-N	251.370	2.785	70	20	CFID	
COc1cc(CCC(=O)NC2CC2)ccc1Cl	160922819	SZHDRBPKZGJYES-UHFFFAOYSA-N	253.729	2.560	70	20	CFID	
Cc1ncc(CSCCCCS(C)(=O)=O)s1	160951791	ZRIUWBOHNJLEJY-UHFFFAOYSA-N	279.452	2.510	70	20	CFID	
CCC[C@H]1CN(C(=O)N[C@H](C)c2nc(C)cs2)CCO1	160973905	IOENBCWLDBKXRC-NEPJUHHUSA-N	297.424	2.723	70	20	CFID	
CCS[C@H]1CCC[C@H](N[C@@H]2CCN(C)C[C@@H]2C)C1	159405755	IWIPOTOUORYIKL-ZQDZILKHSA-N	270.486	2.981	70	20	CFID	
CCCc1cc(NC(=O)c2cc(C)nc(Cl)c2)n(C)n1	159848752	FLHMAIDJTOLKHG-UHFFFAOYSA-N	292.770	2.982	70	20	CFID	
C[C@H](N)C(=O)NCC1(Sc2ccccc2)CCCC1	159673929	LREXMWCVLWZTFG-LBPRGKRZSA-N	278.421	2.555	70	20	CFID	
CC[C@@H](NC(=O)C[C@@H]1CCCN1)c1ccc(F)cc1F	159731092	WASTTWYBFCEUFP-SMDDNHRTSA-N	282.334	2.674	70	20	CFID	
C[C@H](CCOC1CCC1)CCS(=O)(=O)Cl	115235251	LYNVJNMNHSUKLN-SECBINFHSA-N	254.779	2.540	70	20	CFID	
COc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(F)c1	218434000	QIQSJTCNUIVCHD-PHIMTYICSA-N	265.328	2.952	70	20	CFID	
CCC(C)(CC)C(=O)NCC(C)(C)[C@@H](O)C(C)C	159444126	MSJXVTJCGYMCIW-LBPRGKRZSA-N	257.418	2.972	70	20	CFID	
C[C@H](CO)SCCOc1ccc(Br)cc1	160747020	OVBOEEITYYONRW-SECBINFHSA-N	291.210	2.942	70	20	CFID	
Cc1sccc1NC(=O)c1cccc(S(=O)(=O)F)c1	1337361821	VNIRTPDJGZDGQR-UHFFFAOYSA-N	299.348	2.967	70	20	CFID	
CC[C@H](C)N(C)CCNCc1ccc(OC)cc1OC	217383641	RTVFHJDYXZURTN-ZDUSSCGKSA-N	280.412	2.524	70	20	CFID	
CC[C@H](C)OCC1(CS(=O)(=O)Cl)CCCC1	114474216	RZHWZGVPKYJVPZ-JTQLQIEISA-N	268.806	2.931	70	20	CFID	
O=C(NC1CC(c2ccccc2)C1)[C@@H]1CCn2ccnc2C1	161370739	RKCDGVSANNSMAJ-QQFBHYJXSA-N	295.386	2.508	70	20	CFID	
Cc1nnc(CNc2nc(C(C)(C)C)ns2)n1C1CC1	160292145	XVLGSBRVMFUFRU-UHFFFAOYSA-N	292.412	2.683	70	20	CFID	
CSC[C@H](CCO)N[C@@H](C)c1ccc(F)cc1	160355631	ZWYXWWXPYOJYKD-GWCFXTLKSA-N	257.374	2.590	70	20	CFID	
c1ccc([C@H]2C[C@@H](Nc3ncnc4nc[nH]c34)CCO2)cc1	160666676	ZYNALWAFXTYGBC-QWHCGFSZSA-N	295.346	2.685	70	20	CFID	
CC(C)N(Cc1cccc(Cl)c1)Cc1nncn1C	160795952	ZHUJLJNCKMGKEI-UHFFFAOYSA-N	278.787	2.879	70	20	CFID	
C[C@H](O)C[C@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1	159882956	VEXLTSMMBKSXNQ-HEHGZKQESA-N	275.392	2.703	70	20	CFID	
CC[C@@H](NC(=O)C[C@H]1CCCN1)c1ccc(F)cc1F	159731347	WASTTWYBFCEUFP-BXUZGUMPSA-N	282.334	2.674	70	20	CFID	
CC1CCN(CC(=O)NC2CCC(OC(C)C)CC2)CC1	159382339	MYOSEBVJQBOBLN-UHFFFAOYSA-N	296.455	2.571	70	20	CFID	
CCCSCC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1	159571783	NBJPNJODPYBFAA-DZGCQCFKSA-N	295.448	2.801	70	20	CFID	
NC(=O)Cc1ccc(NCc2cc(F)cc(F)c2)cc1	160547559	MYOGPUVFKFQRQQ-UHFFFAOYSA-N	276.286	2.605	70	20	CFID	
C=C[C@@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	188068757	RHGTVDMCPHWPAU-ZDUSSCGKSA-N	285.340	2.886	70	20	CFID	
O=S(=O)(CC1CCCCC1)N1[C@H]2C=CC[C@H]1CC2	218764605	WGBWXSMHCFFCHL-KBPBESRZSA-N	269.410	2.689	70	20	CFID	
C[C@@H]1CC(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1	218145830	UAVWNYGVMYGFEM-UPJWGTAASA-N	298.427	2.541	70	20	CFID	
CN(C)c1c(Cl)cccc1NC(=O)N[C@]1(C)CCOC1	161194595	JJJXAWYTIIMFKI-CQSZACIVSA-N	297.786	2.707	70	20	CFID	
COc1cc(CNC(=O)c2ccnn2C(C)C)ccc1C	161501839	QHLPDKMHNXUIMA-UHFFFAOYSA-N	287.363	2.711	70	20	CFID	
COc1ccc(C[C@H](C)C(=O)NC[C@@H]2CCCCO2)cc1	160111417	CHYXYAJCNKUCMF-BBRMVZONSA-N	291.391	2.559	70	20	CFID	
CCOc1ccc(OC)cc1NC(=O)NC1CC=CC1	160185983	FVCSCEVHKNEBPN-UHFFFAOYSA-N	276.336	2.934	70	20	CFID	
Cc1noc(-c2cccnc2N[C@@H]2CCOC(C)(C)C2)n1	160698093	SFPLSTFQSRSNQW-LLVKDONJSA-N	288.351	2.810	70	20	CFID	
C[C@H](CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccncc1	160781079	UNUKTFUQIONAMT-JMGFVUJMSA-N	288.391	2.505	70	20	CFID	
COCCOc1cccc(N[C@@H](C)C(=O)OC(C)(C)C)c1	160792532	UCYNICRUWJHTDP-LBPRGKRZSA-N	295.379	2.854	70	20	CFID	
Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)c[nH]c1=O	159422825	WKDFNTKFAYEALO-UHFFFAOYSA-N	295.298	2.591	70	20	CFID	
C[C@]1(NC(=O)Nc2cccc3c2CCCC3)CCOC1	159429449	WVEJNCQYWMJQPU-INIZCTEOSA-N	274.364	2.866	70	20	CFID	
CC[C@@H]1CN(C(=O)Nc2ccnc(C)c2Cl)CCO1	159480749	BLLYULNRPDXACM-SNVBAGLBSA-N	283.759	2.686	70	20	CFID	
COc1cccc2c1CC[C@H]2NC(=O)CCC1CC1	159929985	UWLBVCUWLMABCR-CQSZACIVSA-N	259.349	2.989	70	20	CFID	
CCCn1ncc(C(=O)N(C)c2ccccn2)c1C1CC1	159969512	VJPRLQSURJIENL-UHFFFAOYSA-N	284.363	2.842	70	20	CFID	
C[C@]1(NC(=O)Nc2ccc(F)c(Cl)c2)CCOC1	159393703	LUIGXECUNXXAMP-LBPRGKRZSA-N	272.707	2.780	70	20	CFID	
Cc1ocnc1CNc1nc(C(C)(C)C)ns1	160154326	UXTYAJZTTWCFQP-UHFFFAOYSA-N	252.343	2.744	70	20	CFID	
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1347808950	FKRXWPFRAVJYRM-UHFFFAOYSA-N	293.319	2.906	70	20	CFID	
CCc1ncnc(NCc2cccc(COC)c2)c1F	217975940	AVZHEXZPMRPXAK-UHFFFAOYSA-N	275.327	2.937	70	20	CFID	
C[C@@H](CSCc1ccccc1)C(=O)Nc1cc[nH]n1	161064170	XSHVBHRVDNYYRE-NSHDSACASA-N	275.377	2.918	70	20	CFID	
Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ncn1	161362782	YGZGZNGXEXKWFG-OAHLLOKOSA-N	267.332	2.762	70	20	CFID	
Cc1nn(C)c(C)c1C(=O)N1CCc2c(Cl)cccc21	161438199	QWXXCQHGJLAIIF-UHFFFAOYSA-N	289.766	2.893	70	20	CFID	
COCCC1(C(=O)Nc2nnc(C(C)C)s2)CCC1	160050163	YASXCLCTDPSIMX-UHFFFAOYSA-N	283.397	2.807	70	20	CFID	
C[C@H](NCCN(C)Cc1ccc(F)cc1)C1CCOCC1	160147696	ISNVSBLUOSNTKC-AWEZNQCLSA-N	294.414	2.662	70	20	CFID	
CS[C@@H](C)CNC(=O)NCCc1cc2ccccc2[nH]1	160808112	RHVDDQVYBXZLEU-NSHDSACASA-N	291.420	2.761	70	20	CFID	
CSCC[C@H](N)C(=O)N[C@H](C)c1cccc(C)c1C	160836389	KDGUEAASHOPHBJ-OCCSQVGLSA-N	280.437	2.561	70	20	CFID	
CC(C)c1ccc(C(=O)N(C)Cc2cccnc2)cn1	160955811	RCXHMASXAKRVQJ-UHFFFAOYSA-N	269.348	2.872	70	20	CFID	
O=C([C@@H]1CCCNC1)N1CC[C@H](c2ccc(Cl)cc2)C1	159812063	VGPJCTIKHFPVKK-KGLIPLIRSA-N	292.810	2.656	70	20	CFID	
CS[C@@H](C)CC(=O)NCCOc1cccc(Cl)c1	159425441	WDBHVEJVPFTQML-JTQLQIEISA-N	287.812	2.977	70	20	CFID	
COCCOc1ccccc1N[C@@H](C)CCn1cccn1	159431204	PCMGYIWMFOGNRC-AWEZNQCLSA-N	289.379	2.799	70	20	CFID	
C[C@H]1[C@@H](C)OCCN1C(=O)NCC(C)(C)c1ccccc1	159879863	OPQYKSSOKOUSMC-UONOGXRCSA-N	290.407	2.783	70	20	CFID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(Cl)c[nH]1	159569095	MEEYYASVNALCRA-NSHDSACASA-N	282.771	2.890	70	20	CFID	
O=C(CCC1CCC1)N1CCC(NCC2CC2)CC1	159845638	DFSHYMCQVUHVPI-UHFFFAOYSA-N	264.413	2.557	70	20	CFID	
CC[C@H](CCO)NC(=O)c1ccc(OCC(C)C)cc1	160054800	QBZRPVRRNLRRHM-CQSZACIVSA-N	279.380	2.612	70	20	CFID	
N[C@@H]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1	161393188	IHSJYNHIQMSXLB-NEPJUHHUSA-N	286.297	2.705	70	20	CFID