smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](CCc1ccccc1)NCc1ccc(Cl)cc1F	160666643	BNZPGIDDQGLKHK-CYBMUJFWSA-N	291.797	4.590	70	20	CJID	
C[C@H](CCc1ccccc1)NCc1cc(Cl)ccc1F	160666939	GHWQBNQURRUAEQ-CYBMUJFWSA-N	291.797	4.590	70	20	CJID	
C[C@H](NCc1cc(F)cc(Cl)c1)c1ccc(F)cc1F	160841957	OLRVEQPRLIVADG-VIFPVBQESA-N	299.723	4.608	70	20	CJID	
C[C@@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccc(F)cc1	159842336	PVTNOMYTACVVCE-XJKCOSOUSA-N	263.400	4.691	70	20	CJID	
C[C@H]1CCC[C@@H]1N[C@H](C)c1ccc(Cl)cc1Cl	218210063	KPNDPBVOIVIVHC-RBZYPMLTSA-N	272.219	4.833	70	20	CJID	
CC(=O)c1ccc(OC/C=C\c2ccccc2)cc1Cl	217191305	ORIDHONLIBWUJD-YVMONPNESA-N	286.758	4.635	70	20	CJID	
COc1cc(NCc2ccc(CC(C)C)cc2)ccc1F	159990809	OCJXWCXSMJYHIJ-UHFFFAOYSA-N	287.378	4.645	70	20	CJID	
Cc1cccc([C@H](C)SCCc2c(C)noc2C)c1	160147671	QHCJNEDXLZDFKC-AWEZNQCLSA-N	275.417	4.637	70	20	CJID	
Cc1noc(C)c1CCS[C@@H](C)c1ccc(F)cc1F	160133266	WSKYJNHPWBVFLU-NSHDSACASA-N	297.370	4.607	70	20	CJID	
Cc1cccc([C@H](C)N[C@@H]2CCC[C@@H](C3CC3)C2)c1	160202700	VPQQXGFNHWGZCM-BMGDILEWSA-N	257.421	4.614	70	20	CJID	
CCc1cccc(CC)c1NC(=O)c1ccc(C(C)C)nc1	159600781	QXVJITMHGQXAAO-UHFFFAOYSA-N	296.414	4.582	70	20	CJID	
CCC(CC)n1nccc1C(=O)Nc1ccccc1C(C)C	160937029	MYYPMTDEPSVMRK-UHFFFAOYSA-N	299.418	4.620	70	20	CJID	
COc1cc(N[C@H](C)c2ccc(SC)cc2)ccc1F	160061191	XDDDJFDQZPKUPM-LLVKDONJSA-N	291.391	4.729	70	20	CJID	
CC(C)(CNCc1cc(Cl)ccc1F)c1ccccc1	160783542	LHXLOUHGEZYPNY-UHFFFAOYSA-N	291.797	4.547	70	20	CJID	
CC(C)c1ccccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21	160587325	XBTYYUIYKFZKPF-YOEHRIQHSA-N	286.419	4.606	70	20	CJID	
CCOc1cc(C)ccc1NCc1cc(Cl)ccc1F	160776252	JEMHFCHCBLWFNI-UHFFFAOYSA-N	293.769	4.798	70	20	CJID	
c1ccc2ncc(NCc3coc4ccccc34)cc2c1	161075521	LCRDBDYISINCCV-UHFFFAOYSA-N	274.323	4.593	70	20	CJID	
CC(C)Oc1ccccc1NCc1cc(F)cc(Cl)c1	160878850	VHMLTKBPHGLESJ-UHFFFAOYSA-N	293.769	4.878	70	20	CJID	
CC[C@@H](NCc1cc(Cl)ccc1F)C1CCCCC1	160812547	MUQSEYOQHAMEMG-MRXNPFEDSA-N	283.818	4.928	70	20	CJID	
CCCO[C@H]1CCCN([C@@H](C)c2ccccc2Cl)CC1	217005621	XDPJYNYYHUIAOU-GJZGRUSLSA-N	295.854	4.682	70	20	CJID	
CC[C@H](Sc1nncc2ccccc12)c1ccccc1	160227679	OMOAKJACYNFOIG-INIZCTEOSA-N	280.396	4.873	70	20	CJID	
Cc1ccc2c(c1)[C@@H](NCC[C@H](C)c1ccccc1)CC2	160825531	XAOZZAXCYMULPH-JXFKEZNVSA-N	279.427	4.766	70	20	CJID	
Fc1cc(Cl)cc(CN[C@@H]2CCCc3sccc32)c1	160932223	RSHNZCOXMRTIRJ-CQSZACIVSA-N	295.810	4.708	70	20	CJID	
Cc1ccc(CN[C@H](C)c2cccc(Cl)c2Cl)cn1	161268533	XABHMXJQJOHKHI-LLVKDONJSA-N	295.213	4.548	70	20	CJID	
Cc1cccc([C@H](C)Sc2nncc3ccccc23)c1	160251164	DTTMOCGPBVDIOU-ZDUSSCGKSA-N	280.396	4.792	70	20	CJID	
CC(C)c1ccc(NC(=O)Nc2cccc(F)c2)cc1	217310604	WAHDSZPEEHYYOG-UHFFFAOYSA-N	272.323	4.593	70	20	CJID	
Cc1ccccc1[C@H](C)N[C@@H](C)c1cccc(F)c1F	159493379	YEXJHXAYTVYQPP-STQMWFEESA-N	275.342	4.685	70	20	CJID	
CC(C)C(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1	160381718	AZETZOOJOSLJMS-QGZVFWFLSA-N	273.420	4.520	70	20	CJID	
C[C@H](NCc1ccc(Cl)cc1F)c1ccc(Cl)cc1	160657980	XZXDRJNINAEFSO-JTQLQIEISA-N	298.188	4.983	70	20	CJID	
C[C@H](N[C@H](C)c1ccc(F)cc1F)c1cccc(F)c1F	159482122	LRZLLHUVFSMJID-ZJUUUORDSA-N	297.295	4.655	70	20	CJID	
Cc1csc(COc2ccccc2-c2ccccc2)n1	160642058	ZWXLVDPZYAABQM-UHFFFAOYSA-N	281.380	4.698	70	20	CJID	
Cc1cscc1NC(=O)Nc1cccc(Cl)c1C	159638960	BRVDMNFDECFQSP-UHFFFAOYSA-N	280.780	4.662	70	20	CJID	
Cc1ccccc1[C@H](C)SCc1c(C)noc1C	161009934	VOYDGVSGIPFSQV-ZDUSSCGKSA-N	261.390	4.594	70	20	CJID	
Cc1cc(CN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218139490	SDBOJFKKURGHFW-BFYDXBDKSA-N	277.477	4.669	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCCc1ccc(Cl)cc1)C2	218526884	AJORIECLHTYOSS-ZVZYQTTQSA-N	291.866	4.687	70	20	CJID	
COc1cc(NCc2ccc(C(C)C)cc2)ccc1F	160126068	JGIIJBLJADTQJE-UHFFFAOYSA-N	273.351	4.570	70	20	CJID	
CCc1ccc([C@@H](C)NCc2ccc(Cl)cc2F)cc1	160703394	ZPLZDHFSRKLESV-GFCCVEGCSA-N	291.797	4.892	70	20	CJID	
FC(F)(F)[C@@H]1CCC[C@H](N[C@@H]2CCCc3ccccc32)C1	218156837	GNDPXKAEXCGRNP-IJEWVQPXSA-N	297.364	4.775	70	20	CJID	
CC[C@H](N[C@H](C)c1ccccc1C)c1nc(C)cs1	159457714	BFRJPIUSAJVYHI-HIFRSBDPSA-N	274.433	4.562	70	20	CJID	
CC(C)c1ccc([C@@H](N[C@H](C)c2cnccn2)C(C)C)cc1	160415556	XEOQLPOMGGKHDM-BEFAXECRSA-N	297.446	4.648	70	20	CJID	
CCC[C@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1	160663230	ICVNLWONECEGPC-PMACEKPBSA-N	297.442	4.631	70	20	CJID	
CCC(CC)NC(=O)Nc1ccc(Oc2ccccc2)cc1	217304929	PGEAGFMMKMJODD-UHFFFAOYSA-N	298.386	4.789	70	20	CJID	
C[C@@H](Sc1nncc2ccccc12)c1ccccc1F	160258819	VQBBOFPUBYSNBX-LLVKDONJSA-N	284.359	4.622	70	20	CJID	
Cc1cc(C)c(NC(=O)NCCC2CCCCC2)c(C)c1	217305098	QAUXYXKNTBUDEA-UHFFFAOYSA-N	288.435	4.704	70	20	CJID	
COc1cccc(N[C@@H]2C[C@H](C)Sc3sccc32)c1	216998500	UBLFDGHADSQNSD-IINYFYTJSA-N	291.441	4.794	70	20	CJID	
Cc1cccc([C@H](C)N[C@@H]2CCc3ccc(C)cc32)c1	160837320	AMAZDVIPMKBDGB-HNAYVOBHSA-N	265.400	4.642	70	20	CJID	
Cc1cscc1NC(=O)[C@H](C)Cc1ccccc1Cl	161178828	LMFYKDAVNBUJPR-SNVBAGLBSA-N	293.819	4.527	70	20	CJID	
CC(=O)Nc1cc(N[C@H]2CCCC[C@@H]2C(C)C)ccc1C	160310402	AQLZSDGLIAKWPJ-SJORKVTESA-N	288.435	4.580	70	20	CJID	
CCC[C@H](C(=O)Nc1cc(C(C)=O)ccc1Cl)C(C)C	161019289	WXALHGCCHNFBAF-ZDUSSCGKSA-N	295.810	4.553	70	20	CJID	
CCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C	216808418	PULDSDCGMCTXSZ-UHFFFAOYSA-N	288.218	4.644	70	20	CJID	
C[C@H]1C[C@@H](Nc2ccc(F)cc2)c2ccsc2S1	216997959	OYLVWKYTGHMELK-TVQRCGJNSA-N	279.405	4.925	70	20	CJID	
Cc1cccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)c1	160134986	AFERMANRTFEVGX-CXAGYDPISA-N	271.429	4.858	70	20	CJID	
Cc1ccc(C[C@H](C)NCc2cc(Cl)ccc2F)s1	160833659	BAQORECSTYFGBE-JTQLQIEISA-N	297.826	4.570	70	20	CJID	
CCC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1Cl)C(C)C	161019435	WXALHGCCHNFBAF-CYBMUJFWSA-N	295.810	4.553	70	20	CJID	
CC[C@H](NCCc1ccc(Cl)s1)c1ccc(F)cc1	217769408	VONCGRKAAHFZJG-AWEZNQCLSA-N	297.826	4.824	70	20	CJID	
CC[C@H](C)CSCCCC(=O)Nc1c(C)cccc1C	161056126	LGSAJIVXTCPENT-ZDUSSCGKSA-N	293.476	4.801	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1cc3ccccc3o1)C2	218546851	XYUQOJHFXDONNO-FNHZYXHNSA-N	283.415	4.737	70	20	CJID	
Fc1cc(Cl)cc(CNc2cccc3ncccc23)c1	160798997	FEIATNBAWBNBCT-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
COc1cc(NCc2c(C)oc3ccccc23)ccc1F	160080474	QVMHIRPYMBGHHV-UHFFFAOYSA-N	285.318	4.501	70	20	CJID	
CC[C@@H](C)OCC(=O)Nc1c(C(C)C)cccc1C(C)C	160158971	OONPSIAAACGWKR-CQSZACIVSA-N	291.435	4.687	70	20	CJID	
CCC[C@@H](N[C@H](C)c1ccccn1)c1ccc(F)cc1F	159371528	FYIKGMXTCJJUIC-SJKOYZFVSA-N	290.357	4.552	70	20	CJID	
CCc1cccc(C)c1NC(=O)Nc1cscc1C	159615466	MPKKJABTZWVAAK-UHFFFAOYSA-N	274.389	4.571	70	20	CJID	
Cc1cc(O)ccc1NC(=O)Nc1ccc(C(C)(C)C)cc1	217301209	BZDGVANXBLTXDQ-UHFFFAOYSA-N	298.386	4.642	70	20	CJID	
C[C@@H]1CCCC[C@H]1CN[C@H](c1ccccc1)C1CC1	218151200	HAOXHIDUSPKFCC-FHLIZLRMSA-N	257.421	4.554	70	20	CJID	
CCOc1ccc(NCc2ccc(SC)cc2)cc1F	159490783	DZKJPKFDAOIIBO-UHFFFAOYSA-N	291.391	4.558	70	20	CJID	
FC(F)(F)[C@@H]1CCC[C@@H](N[C@@H]2CCCc3ccccc32)C1	218156886	GNDPXKAEXCGRNP-IIAWOOMASA-N	297.364	4.775	70	20	CJID	
CCC[C@@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1F	159371262	FYIKGMXTCJJUIC-YVEFUNNKSA-N	290.357	4.552	70	20	CJID	
Fc1cc(Cl)cc(CNc2ccc3ncccc3c2)c1	160930762	HPIQRFWBPBLCTH-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
COc1cc(NC2CCC(C(C)(C)C)CC2)ccc1F	159943234	ZLNAJEDYWISJMW-UHFFFAOYSA-N	279.399	4.851	70	20	CJID	
Cc1cscc1NC(=O)Nc1cc(Cl)ccc1C	159788184	HSBQMHFGBHIANF-UHFFFAOYSA-N	280.780	4.662	70	20	CJID	
Fc1cc(Cl)cc(CN[C@@H](c2ccccc2)C2CC2)c1	160867255	YDZCYZKQTODGKJ-KRWDZBQOSA-N	289.781	4.720	70	20	CJID	
Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1	217301247	YRHFAJQQNPGMIQ-UHFFFAOYSA-N	296.414	4.614	70	20	CJID	
COc1cc(N[C@@H](C)c2cc(C)sc2C)ccc1F	159997577	AHQZCRSFCVRDHZ-JTQLQIEISA-N	279.380	4.686	70	20	CJID	
CN(C(=O)Nc1ccccc1C(C)(C)C)c1ccccc1	217921859	ZSUGNNWXJZWQIA-UHFFFAOYSA-N	282.387	4.652	70	20	CJID	
Cc1ccc2c(c1)[C@@H](NCC(C)(C)c1ccccc1)CC2	160813676	CNLJCZCLMPPIFG-IBGZPJMESA-N	279.427	4.550	70	20	CJID	
Cc1cscc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1	161174999	SRDBHOGTCWYVDR-JTQLQIEISA-N	293.819	4.527	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1ccc(Cl)cc1F)C2	160702572	FNCLONDROSQTBS-MJEQTWJJSA-N	295.829	4.784	70	20	CJID	
CCSc1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1	159424575	DKBDFGYHOTXCJM-VXGBXAGGSA-N	292.473	4.667	70	20	CJID	
Cc1cccc([C@@H](C)N[C@H](c2cccs2)C2CC2)c1	160135118	AFERMANRTFEVGX-DYVFJYSZSA-N	271.429	4.858	70	20	CJID	
Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3sccc31)CC2	160824735	MHYVBSLGQDFWFV-IRXDYDNUSA-N	283.440	4.711	70	20	CJID	
C[C@H]1C[C@@H](Nc2cccc(F)c2)c2ccsc2S1	216994487	ZYBMTNZNPKTKNY-TVQRCGJNSA-N	279.405	4.925	70	20	CJID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccccc1C(C)C	160570782	SUFQCJITYBNKFI-LSDHHAIUSA-N	299.439	4.922	70	20	CJID	
C[C@H](N[C@H](C)c1nc(-c2ccccc2)cs1)c1ccco1	160215653	IMKTXAIYKMNGKV-QWHCGFSZSA-N	298.411	4.815	70	20	CJID	
CC[C@H](C)Oc1cccc(N[C@H]2CCC[C@@H](C)C2)c1	218183292	FNCLOJKKUOIFKE-ILXRZTDVSA-N	261.409	4.855	70	20	CJID	
CCCCc1ccc(NC(=O)NCc2cccc(C)c2)cc1	217314449	DTSHHMMHLFUGFL-UHFFFAOYSA-N	296.414	4.659	70	20	CJID	
Cc1cccc(C)c1CNc1ccc2ncsc2c1	217724322	IXXPNXURFIFJRY-UHFFFAOYSA-N	268.385	4.525	70	20	CJID	
Clc1ccc(CSCc2noc3c2CCCC3)cc1	217008082	AZPPGECCLGBZQF-UHFFFAOYSA-N	293.819	4.640	70	20	CJID	
COc1ccc(NCc2coc3ccccc23)cc1Cl	161060731	MZPNBWRJLCVDDG-UHFFFAOYSA-N	287.746	4.707	70	20	CJID	
CCc1cccc(NC(=O)Nc2c(C)cccc2CC)c1	217184027	TUKDJXOOSVASCI-UHFFFAOYSA-N	282.387	4.764	70	20	CJID	
COc1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1F	160027283	ONMSFDIVEXBJBD-BFHYXJOUSA-N	277.383	4.605	70	20	CJID	
C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1Cl	217164021	MNMUCFOXCWYJAL-PIGZYNQJSA-N	289.781	4.817	70	20	CJID	
O=C(NCCC1CCCCC1)Nc1cccc2ccccc12	217305179	YFVDDHAGAOBTQT-UHFFFAOYSA-N	296.414	4.932	70	20	CJID	
COc1cc(N[C@@H](C)c2ccc(Cl)cc2)ccc1F	159918536	YZPXKZBPJBINSR-JTQLQIEISA-N	279.742	4.661	70	20	CJID	
C[C@@H](NCCCO[C@H](C)c1ccccc1)c1ccccc1	216752395	KULQAUBFZAXTII-IAGOWNOFSA-N	283.415	4.505	70	20	CJID	
CCCC1CCC(NCc2cc(F)cc(Cl)c2)CC1	160916495	FBBXWKJBSUADJL-UHFFFAOYSA-N	283.818	4.928	70	20	CJID	
Cc1noc(C)c1CCS[C@@H](C)c1ccc(F)c(F)c1	160133019	LYLUXNUBVCURPD-NSHDSACASA-N	297.370	4.607	70	20	CJID	
CCc1nc([C@@H](C)N[C@H](CC)c2ccc(F)cc2)cs1	160905932	NAJSRRZGGCWUED-BXUZGUMPSA-N	292.423	4.647	70	20	CJID	
Cc1cccc(C(=O)Nc2cccc3ccccc23)c1F	161390072	ODDAESQDTFNVTR-UHFFFAOYSA-N	279.314	4.540	70	20	CJID	
CCCc1ccccc1NC(=O)Nc1cscc1C	160113289	GOJGPDHDVWIIEK-UHFFFAOYSA-N	274.389	4.653	70	20	CJID	
Cc1ccc(C)c([C@@H](C)NCc2ccc(Cl)cc2F)c1	160744114	VTHDGBNZLVGGLM-CYBMUJFWSA-N	291.797	4.947	70	20	CJID	
C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1Cl	217164039	MNMUCFOXCWYJAL-DIFFPNOSSA-N	289.781	4.817	70	20	CJID	
CC[C@H](NCc1cccc2cc[nH]c12)c1ccc(C)cc1	218068712	WGZUZINSKMQTKC-SFHVURJKSA-N	278.399	4.717	70	20	CJID	
Cc1ccccc1[C@H](C)N[C@H](C)c1cccc(F)c1F	159493641	YEXJHXAYTVYQPP-QWHCGFSZSA-N	275.342	4.685	70	20	CJID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccc(Cl)s1	218156930	KRIDJECJTXJZAG-TUAOUCFPSA-N	271.857	4.878	70	20	CJID	
O=C(Nc1cccc2ccccc12)N1CC[C@@H]2CCCC[C@@H]21	160054497	COLHDFUYKSBCTE-YJBOKZPZSA-N	294.398	4.636	70	20	CJID	
Fc1cc(Cl)cc(CN[C@H]2CCCc3ccccc32)c1	160818381	WOBYSJMUBKBRJK-KRWDZBQOSA-N	289.781	4.646	70	20	CJID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)C2CC=CC2)cc1	160435138	NXTVYTOGAZVVLO-IBGZPJMESA-N	297.442	4.830	70	20	CJID	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1Cl	160813818	NXQWMKLETKEYQP-SNVBAGLBSA-N	298.188	4.983	70	20	CJID	
CCc1ccc([C@@H](N[C@@H](C)c2cncs2)C(C)C)cc1	160401187	XZFLEJJKSFHYEZ-GUYCJALGSA-N	288.460	4.753	70	20	CJID	
Fc1cc(Cl)cc(CNc2cccc3ccncc23)c1	160964004	HGAYFRWKBGARMU-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
CC1(C)C[C@H](N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)CCO1	218638784	YDJLQROSPVBGJG-BZUAXINKSA-N	281.484	4.529	70	20	CJID	
CCC1CCC(CNCc2cc(Cl)ccc2F)CC1	160783093	OLZQJAUXQWTNLT-UHFFFAOYSA-N	283.818	4.785	70	20	CJID	
C[C@H](N[C@H](C)c1cncc(F)c1)c1ccc2c(c1)CCCC2	160298787	PECYWLQUHDQKMN-UONOGXRCSA-N	298.405	4.511	70	20	CJID	
Cc1cc(C)c(-c2csc(Nc3ccccn3)n2)c(C)c1	218160524	ZESSMJCRLQJTAG-UHFFFAOYSA-N	295.411	4.874	70	20	CJID	
CC(C)[C@H](NC[C@@H]1CCCC[C@@H]1C)c1ccccc1	218152482	QKCPJPGAYHDLNF-SZMVWBNQSA-N	259.437	4.800	70	20	CJID	
Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(F)c1F	159493505	YEXJHXAYTVYQPP-CHWSQXEVSA-N	275.342	4.685	70	20	CJID	
Cc1cc([C@H](C)NCc2cc(F)cc(Cl)c2)c(C)o1	160921768	IOGRMIOXMGQVRF-JTQLQIEISA-N	281.758	4.540	70	20	CJID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1cc2ccccc2o1	218157094	XOLDWSDWANWFEF-LZWOXQAQSA-N	271.404	4.910	70	20	CJID	
FC(F)(F)CCSCc1ccc(Cl)cc1	217056089	SHVWWKVTMZBMDW-UHFFFAOYSA-N	254.704	4.526	70	20	CJID	
COc1cc(N[C@@H](c2ccccc2)C(F)(F)F)ccc1F	160271776	GASMAHXGHQOULW-AWEZNQCLSA-N	299.267	4.550	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1ccccc1Cl)C2	218383066	RXESWWQNEPGZRS-QRTARXTBSA-N	277.839	4.644	70	20	CJID	
Cc1ccccc1[C@@H](C)SCCc1c(C)noc1C	160157571	VTWGNHJQCBHHMD-CQSZACIVSA-N	275.417	4.637	70	20	CJID	
CC[C@H](N[C@H](CC)c1nc(C)cs1)c1ccc(F)cc1	160890819	IDLYBXFOFVOWDO-LSDHHAIUSA-N	292.423	4.783	70	20	CJID	
Cc1ccc(CN[C@H](C)c2cc3cc(C)c(C)cc3o2)cn1	161272821	PPWBAYGSZJAYHR-OAHLLOKOSA-N	294.398	4.604	70	20	CJID	
Cc1cc(Cl)ccc1NC(=O)Nc1cscc1C	159635059	WJPCVQHMZCFBIN-UHFFFAOYSA-N	280.780	4.662	70	20	CJID	
CCC[C@H](NC(=O)N1CCCC[C@@H]1CC)c1ccccc1	217426716	ZIIMYXCRHAWPMF-IRXDYDNUSA-N	288.435	4.502	70	20	CJID	
C[C@H]1C[C@H](NCC2C(C)(C)C2(C)C)c2ccsc2S1	217002308	GWNMOCNRFQYDPK-JQWIXIFHSA-N	295.517	4.945	70	20	CJID	
Cc1cc(C)c(NC(=O)Nc2cscc2C)c(C)c1	159606189	KYQGYXQWIQYPRO-UHFFFAOYSA-N	274.389	4.626	70	20	CJID	
C[C@H](c1cccs1)N(C)CCSc1ccc(F)cc1	216905125	DEYDGYWSNDECEC-GFCCVEGCSA-N	295.448	4.672	70	20	CJID	
C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1cncc(F)c1	160298644	PECYWLQUHDQKMN-KGLIPLIRSA-N	298.405	4.511	70	20	CJID	
Cc1ccc2c(c1)[C@@H](N[C@H](C)CCc1ccccc1)CC2	160766545	VLZGSLVMGCUMMK-UZLBHIALSA-N	279.427	4.593	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](N[C@@H]1CCCc3ccccc31)C2	218523452	WYFNUQSOXWRORD-NFBUACBFSA-N	283.459	4.868	70	20	CJID	
CCCC1CCC(NCc2ccc(Cl)cc2F)CC1	160795996	IPILFOMYCHEWOL-UHFFFAOYSA-N	283.818	4.928	70	20	CJID	
Cc1ccc2c(c1)[C@H](NCc1ccc(C(C)C)cc1)CC2	160819687	AYNYQOPATCISMD-HXUWFJFHSA-N	279.427	4.896	70	20	CJID	
Cc1ccc(NC(=O)Nc2c(C)cc(C)cc2Cl)cc1	217267940	DNKQZJWWYWAXCN-UHFFFAOYSA-N	288.778	4.909	70	20	CJID	
Cc1cccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)c1	217301368	KJYWYPJNAVWFOZ-UHFFFAOYSA-N	296.414	4.614	70	20	CJID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1cc2ccccc2o1	218157167	XOLDWSDWANWFEF-SQWLQELKSA-N	271.404	4.910	70	20	CJID	
c1ccc2c(c1)SCC[C@@H]2NCc1coc2ccccc12	161086008	ALIOEKHQRAVCHX-INIZCTEOSA-N	295.407	4.760	70	20	CJID	
C[C@H](CCc1ccccc1)NCc1cc(F)cc(Cl)c1	160820169	ZOJPQNUPRLTLDK-CYBMUJFWSA-N	291.797	4.590	70	20	CJID	
CC(C)[C@@H](NCc1cccc2cc[nH]c12)c1ccccc1	218080704	AYRCDHJEJBLECM-GOSISDBHSA-N	278.399	4.655	70	20	CJID	
CCc1ccc([C@H](N[C@@H](C)c2cncs2)C(C)C)cc1	160401061	XZFLEJJKSFHYEZ-SUMWQHHRSA-N	288.460	4.753	70	20	CJID	
Cc1ccc([C@@H](C)NCc2cc(F)cc(Cl)c2)cc1	160895924	YFWOCGXKJYTHGT-GFCCVEGCSA-N	277.770	4.638	70	20	CJID	
Cc1cccc([C@H](C)NCc2ccc(Cl)c(F)c2)c1	160197728	OPWGWZXABPNWJM-LBPRGKRZSA-N	277.770	4.638	70	20	CJID	
COc1cc(N[C@H](C)c2cc3ccccc3o2)ccc1F	159932016	GGCHTVZTCMLXJU-LLVKDONJSA-N	285.318	4.754	70	20	CJID	
Cc1cccc([C@H](C)NCc2ccc(Cl)cc2F)c1	160867113	OOFBCZYJSOHMBF-LBPRGKRZSA-N	277.770	4.638	70	20	CJID	
CSc1ccc([C@@H](C)NC[C@@H]2CCCC[C@@H]2C)cc1	218159897	MRBOTAGEYZRCMV-LZWOXQAQSA-N	277.477	4.885	70	20	CJID	
COc1cc(N[C@@H](C)c2cc3ccccc3o2)ccc1F	159931874	GGCHTVZTCMLXJU-NSHDSACASA-N	285.318	4.754	70	20	CJID	
COc1cc(N[C@@H](C)CCc2cccc(C)c2)ccc1F	160069154	CCCFOYXYMDNOPL-AWEZNQCLSA-N	287.378	4.576	70	20	CJID	
Cc1cc(C(C)(C)C)cc(C)c1CN[C@H](C)c1ccccn1	216640988	QKOTVXPTNNJVHJ-MRXNPFEDSA-N	296.458	4.847	70	20	CJID	
Fc1ccc(CNCc2coc3ccccc23)cc1Cl	161101181	AAVSARQSTIJFNU-UHFFFAOYSA-N	289.737	4.515	70	20	CJID	
Cc1ccc(-c2ccsc2C(=O)N(C)C2CCCC2)cc1	216847253	RRCGVKSVDLFBOJ-UHFFFAOYSA-N	299.439	4.738	70	20	CJID	
Cc1ccc([C@@H](C)NCc2coc3ccccc23)c(C)c1	161090665	NGYGFESBVPUUAA-OAHLLOKOSA-N	279.383	4.900	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1c(F)cccc1Cl)C2	218383736	NCBLDMSPQYPGSD-KCTSRDHCSA-N	295.829	4.784	70	20	CJID	
c1ccc([C@@H](NCc2coc3ccccc23)C2CC2)cc1	159810599	MNHVHCPEWPQCGG-LJQANCHMSA-N	277.367	4.674	70	20	CJID	
CSc1ccc(CSCCC(F)(F)F)cc1	217057746	PIWFNBRCOODWHS-UHFFFAOYSA-N	266.353	4.594	70	20	CJID	
Cc1ccc(Cl)cc1NC(=O)NCCC1CCCCC1	217305096	BETYENFCHANFDW-UHFFFAOYSA-N	294.826	4.740	70	20	CJID	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1cc(F)ccc1F	159518039	ZUVQDQKHYDQDIH-ZJUUUORDSA-N	297.295	4.655	70	20	CJID	
c1ccc2c(CN[C@H]3CCCc4sccc43)coc2c1	159822907	VEXLYAKVKWKGHS-HNNXBMFYSA-N	283.396	4.662	70	20	CJID	
Cc1cc(C(=O)Nc2ccccc2SC(C)C)oc1C	161237389	HADIQSRDZZIWAG-UHFFFAOYSA-N	289.400	4.649	70	20	CJID	
C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1	217163996	LNHVWFWYYMBXSG-APPDUMDISA-N	289.781	4.817	70	20	CJID	
Cc1noc(C)c1CCS[C@@H](C)c1cc(F)ccc1F	160132329	MDUSUOMQYCLWMM-NSHDSACASA-N	297.370	4.607	70	20	CJID	
COc1cc(NC2CCC3(CCCC3)CC2)ccc1F	160078434	ANCDIDZPGMLCBP-UHFFFAOYSA-N	277.383	4.749	70	20	CJID	
CC(C)(CNCc1coc2ccccc12)c1ccccc1	161094042	KGWOKDURLYYCBZ-UHFFFAOYSA-N	279.383	4.500	70	20	CJID	
CC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1	217268867	PMTDAQSRICYFJW-UHFFFAOYSA-N	294.398	4.617	70	20	CJID	
C[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1Cl	160660127	ZWUIZDOIPIBQDC-SNVBAGLBSA-N	298.188	4.983	70	20	CJID	
Cc1cccc([C@H](C)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	160213641	VZNOIUQCVLTGIM-YQQAZPJKSA-N	259.437	4.860	70	20	CJID	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1c(F)cccc1F	159435283	RIWTUEOXDOWLDJ-ZJUUUORDSA-N	297.295	4.655	70	20	CJID	
C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1	217301278	NZBCNLVSGYJBFZ-BBRMVZONSA-N	288.435	4.684	70	20	CJID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)C2CC=CC2)cc1	160435198	NXTVYTOGAZVVLO-LJQANCHMSA-N	297.442	4.830	70	20	CJID	
CC[C@@H](Nc1ccc2ncsc2c1)c1ccc(F)cc1	217768338	FJGAEVIVTWVCQW-CQSZACIVSA-N	286.375	4.999	70	20	CJID	
CCC[C@@H](NCc1cccc2cc[nH]c12)c1ccccc1	218074125	ILFICQVIJZWBBY-GOSISDBHSA-N	278.399	4.799	70	20	CJID	
CCc1ccc([C@H](C)NCc2ccc(Cl)cc2F)cc1	160703529	ZPLZDHFSRKLESV-LBPRGKRZSA-N	291.797	4.892	70	20	CJID	
CCc1ccc([C@H]2CCCCCN2C(=O)OC(C)(C)C)o1	159494632	WUDXNQXXRWGHMV-CQSZACIVSA-N	293.407	4.694	70	20	CJID	
C[C@H](NCc1cc(F)cc(Cl)c1)c1c(F)cccc1F	160896449	BSDXVLJLNLETGY-VIFPVBQESA-N	299.723	4.608	70	20	CJID	
CC(C)(C)c1ccc(NC(=O)NC2CCCCCC2)cc1	217301315	VHLJZVALABJUSE-UHFFFAOYSA-N	288.435	4.828	70	20	CJID	
Cc1ccc2c(c1)[C@@H](NCc1ccc(C(C)C)cc1)CC2	160819806	AYNYQOPATCISMD-FQEVSTJZSA-N	279.427	4.896	70	20	CJID	
Cc1nc(-c2cc([C@@H](C)N[C@H](C)C3CC3)cs2)cs1	160123628	WSAYZRBTZDUVLM-NXEZZACHSA-N	292.473	4.629	70	20	CJID	
CCc1ccc([C@H](C)NCc2cc(F)cc(Cl)c2)cc1	160845368	QDYTWHBTMWZZPC-LBPRGKRZSA-N	291.797	4.892	70	20	CJID	
CCCOc1ccccc1NCc1cc(Cl)ccc1F	160700079	QDSMPPJAICYXOG-UHFFFAOYSA-N	293.769	4.880	70	20	CJID	
OCC1(CNC2CCCCCCCCCCC2)CCCC1	160115594	USAWEJMNIHHMMA-UHFFFAOYSA-N	295.511	4.802	70	20	CJID	
CC(C)[C@H](c1ccccc1)N(C)Cc1ccnc(Cl)c1	217171345	MIKSDPIBTQXRCQ-QGZVFWFLSA-N	288.822	4.564	70	20	CJID	
Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3sccc31)CC2	160824602	MHYVBSLGQDFWFV-DLBZAZTESA-N	283.440	4.711	70	20	CJID	
Cc1cc(Cl)ccc1C(=O)Nc1cccc(C(F)F)c1	160245064	WUHIMIWCTHTQFI-UHFFFAOYSA-N	295.716	4.838	70	20	CJID	
Cc1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1F	161394674	VBCKMXJQEMXKFF-UHFFFAOYSA-N	285.362	4.684	70	20	CJID	
CN(C(=O)CCC1CCCCC1)C1CCCCCC1	217147778	OQZLTWGRAPUFPX-UHFFFAOYSA-N	265.441	4.528	70	20	CJID	
Fc1cc(Cl)ccc1CNc1cnc2ccccc2c1	160712112	PSIRRVDAUCCXAW-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
CCCCc1ccc(NC(=O)NCc2ccccc2C)cc1	217313723	UQSGYBLNNFPLCQ-UHFFFAOYSA-N	296.414	4.659	70	20	CJID	
C[C@H](Cc1ccccc1Cl)NCc1coc2ccccc12	161072367	PMSTUFUDWQJXQU-CYBMUJFWSA-N	299.801	4.807	70	20	CJID	
Cc1cc(Cl)ccc1NC(=O)NCCC1CCCCC1	217305150	VYCBAJTXNLPNCY-UHFFFAOYSA-N	294.826	4.740	70	20	CJID	
Cc1cc([C@H](C)NCc2ccc(Cl)cc2F)c(C)o1	160803432	QROLLCMADHECLC-JTQLQIEISA-N	281.758	4.540	70	20	CJID	
C[C@H]1C[C@H](Nc2cccc(F)c2)c2ccsc2S1	216994479	ZYBMTNZNPKTKNY-ZANVPECISA-N	279.405	4.925	70	20	CJID	
CSc1ccc([C@H](C)NCc2cccc3cc[nH]c23)cc1	218151354	ANKHHKVUTPOMJF-ZDUSSCGKSA-N	296.439	4.741	70	20	CJID	
FC(F)(F)[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)C2CC2)C1	217617724	XMIVIEPPODQFDL-PMPSAXMXSA-N	297.364	4.848	70	20	CJID	
CCC[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1	160663342	ICVNLWONECEGPC-UXHICEINSA-N	297.442	4.631	70	20	CJID	
FC(F)(F)[C@@H]1CCC[C@@H](NCc2coc3ccccc23)C1	161088108	AATBAZVLRKAFRK-CHWSQXEVSA-N	297.320	4.644	70	20	CJID	
Cc1cc(C(C)(C)C)cc(C)c1CN[C@@H](C)c1ccccn1	216640949	QKOTVXPTNNJVHJ-INIZCTEOSA-N	296.458	4.847	70	20	CJID	
FC(F)(F)C1CCC(NCc2coc3ccccc23)CC1	159812592	CSFITGOMHCCUFL-UHFFFAOYSA-N	297.320	4.644	70	20	CJID	
C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccc(Cl)cc1	159975900	CMJGCLIJMHELFZ-XGWLTEMNSA-N	277.839	4.959	70	20	CJID	
CC(C)c1ccc([C@H](N[C@@H](C)c2cnn(C)c2)C(C)C)cc1	160415721	JTBINSVYVNSFOA-HNAYVOBHSA-N	299.462	4.591	70	20	CJID	
C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1	217301280	NZBCNLVSGYJBFZ-XJKSGUPXSA-N	288.435	4.684	70	20	CJID	
Cc1ccc(NC(=O)NC(C)(C)CC(C)(C)C)cc1C	217310736	IHQTVIUHXBYELF-UHFFFAOYSA-N	276.424	4.640	70	20	CJID	
C[C@H](NCc1cccc2cc[nH]c12)c1ccccc1Cl	218063959	VACYHDCHEYUCST-LBPRGKRZSA-N	284.790	4.672	70	20	CJID	
O=C(NCCC1CCCCC1)Nc1ccc(F)c(Cl)c1	217305202	LJCBLCPHBKVJAH-UHFFFAOYSA-N	298.789	4.571	70	20	CJID	
Cc1cccc([C@H](C)N[C@H]2CCc3ccc(C)cc32)c1	160837439	AMAZDVIPMKBDGB-KXBFYZLASA-N	265.400	4.642	70	20	CJID	
C[C@@H](NCc1cc(Cl)ccc1F)c1ccc(Cl)cc1	160658404	QJFFDXYHGDFKNI-SNVBAGLBSA-N	298.188	4.983	70	20	CJID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)CC2CC2)cc1	160360516	POKWCQCXKISDKO-GOSISDBHSA-N	285.431	4.664	70	20	CJID	
CC(C)(C)c1ccc(NC(=O)NCC2CCCCC2)cc1	217601336	JCEODWDJPXFLNM-UHFFFAOYSA-N	288.435	4.686	70	20	CJID	
Cc1ccc(F)c(NCc2csc(C(C)(C)C)n2)c1	161378027	WKRVTAXHGOETJM-UHFFFAOYSA-N	278.396	4.500	70	20	CJID	
CCC(CC)N(CC)C(=O)c1ccc(Cl)c(Cl)c1	216810100	IRXSLCGBFFMASV-UHFFFAOYSA-N	288.218	4.644	70	20	CJID	
Cc1cc([C@@H](C)NCc2coc3ccccc23)c(C)s1	161085213	CIYWWUOAWMOZPV-GFCCVEGCSA-N	285.412	4.962	70	20	CJID	
CCc1cccc(NC(=O)Nc2c(C)cc(C)cc2C)c1	217184008	PSAWEOVQDBBJKK-UHFFFAOYSA-N	282.387	4.818	70	20	CJID	
CCc1nc([C@H](C)N[C@H](CC)c2ccc(F)cc2)cs1	160906059	NAJSRRZGGCWUED-SMDDNHRTSA-N	292.423	4.647	70	20	CJID	
C[C@H]1C[C@@H](NCC2C(C)(C)C2(C)C)c2ccsc2S1	217002318	GWNMOCNRFQYDPK-CMPLNLGQSA-N	295.517	4.945	70	20	CJID	
Cc1ccc(Cl)c(NCc2ccc3ncccc3c2)c1	218133381	CKAQXLSVTOVJKJ-UHFFFAOYSA-N	282.774	4.809	70	20	CJID	
CCC[C@@H](NC(=O)N1CCCC[C@@H]1CC)c1ccccc1	217426656	ZIIMYXCRHAWPMF-DLBZAZTESA-N	288.435	4.502	70	20	CJID	
COc1ccc(C)cc1[C@@H](C)NCc1coc2ccccc12	159805549	HFJZUFMHOHAXLK-CQSZACIVSA-N	295.382	4.601	70	20	CJID	
C[C@H](N[C@@H](C)c1c(F)cccc1F)c1cccc(F)c1F	159435162	RIWTUEOXDOWLDJ-UWVGGRQHSA-N	297.295	4.655	70	20	CJID	
CCCCc1ccc(NC(=O)NCC2CCCCC2)cc1	217587454	WRBYHGBHIHDQAC-UHFFFAOYSA-N	288.435	4.731	70	20	CJID	
CCSc1ccc([C@H](C)N[C@H](C)c2nccs2)cc1	159424700	DKBDFGYHOTXCJM-NWDGAFQWSA-N	292.473	4.667	70	20	CJID	
Cc1cc([C@@H](C)NCc2ccc(Cl)cc2F)c(C)o1	160803331	QROLLCMADHECLC-SNVBAGLBSA-N	281.758	4.540	70	20	CJID	
Cc1nc(-c2cc([C@@H](C)N[C@@H](C)C3CC3)cs2)cs1	160123370	WSAYZRBTZDUVLM-VHSXEESVSA-N	292.473	4.629	70	20	CJID	
Cc1ccccc1[C@@H](C)SCc1c(C)noc1C	161009826	VOYDGVSGIPFSQV-CYBMUJFWSA-N	261.390	4.594	70	20	CJID	
CC(C)[C@@H](c1ccccc1)N(C)Cc1ccnc(Cl)c1	217171335	MIKSDPIBTQXRCQ-KRWDZBQOSA-N	288.822	4.564	70	20	CJID	
Cc1ccccc1C[C@@H](C)NCc1cc(Cl)ccc1F	160775386	YVFNWEQOTYUMHL-CYBMUJFWSA-N	291.797	4.508	70	20	CJID	
CC(C)(CNCc1ccc(Cl)cc1F)c1ccccc1	160783390	WEYTVZKMJYPBHJ-UHFFFAOYSA-N	291.797	4.547	70	20	CJID	
CCC[C@H](NC(=O)N1CCCC[C@H]1CC)c1ccccc1	217426882	ZIIMYXCRHAWPMF-SJORKVTESA-N	288.435	4.502	70	20	CJID	
C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1	217301279	NZBCNLVSGYJBFZ-CZUORRHYSA-N	288.435	4.684	70	20	CJID	
Cc1cc(C(C)(C)C)cc(C)c1CN[C@H](C)c1cccnc1	216727907	CUCBMRKQAXJXOK-MRXNPFEDSA-N	296.458	4.847	70	20	CJID	
CCCN[C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1	218032808	DHLVWACBLFAQQX-HFTRVMKXSA-N	259.437	4.862	70	20	CJID	
C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1F	159434996	HCJSBORPOSAOQC-GHMZBOCLSA-N	279.305	4.516	70	20	CJID	
COc1cc(N[C@H](C)c2ccc(Cl)cc2)ccc1F	159918675	YZPXKZBPJBINSR-SNVBAGLBSA-N	279.742	4.661	70	20	CJID	
CCSc1ccc([C@@H](C)N[C@@H](C)c2nccs2)cc1	159424296	DKBDFGYHOTXCJM-NEPJUHHUSA-N	292.473	4.667	70	20	CJID	
CC(C)[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1	160847021	OGHWJYJJXYCCPB-QGZVFWFLSA-N	291.797	4.966	70	20	CJID	
C[C@@H]1C[C@@H]1c1ccc(CN[C@H](c2ccccc2)C2CC2)o1	217735829	UZVSHJBURDSXKD-XVGQJIODSA-N	281.399	4.644	70	20	CJID	
CC1(C)C[C@H](N[C@H]2CCC[C@@H](C(C)(C)C)CC2)CCO1	218638859	YDJLQROSPVBGJG-OWCLPIDISA-N	281.484	4.529	70	20	CJID	
COc1ccc(C)cc1[C@H](C)NCc1coc2ccccc12	159805656	HFJZUFMHOHAXLK-AWEZNQCLSA-N	295.382	4.601	70	20	CJID	
CCOc1ccccc1-c1nc(-c2ccccc2)cs1	159734710	IRIJBEBMHNWXHS-UHFFFAOYSA-N	281.380	4.876	70	20	CJID	
Cc1ccc(CN[C@@H](C)c2sc(C(C)C)nc2C)s1	160912059	KPNAUUALEXTFNY-NSHDSACASA-N	294.489	4.796	70	20	CJID	
CCc1ccc([C@@H]2CCCCCN2C(=O)OC(C)(C)C)o1	159494490	WUDXNQXXRWGHMV-AWEZNQCLSA-N	293.407	4.694	70	20	CJID	
CC[C@@H](C)CSCCCC(=O)Nc1c(C)cccc1C	161055996	LGSAJIVXTCPENT-CYBMUJFWSA-N	293.476	4.801	70	20	CJID	
C[C@H](N[C@H](C)c1ccccc1F)c1cccc(F)c1F	159434767	HCJSBORPOSAOQC-MNOVXSKESA-N	279.305	4.516	70	20	CJID	
C[C@@H](NCc1cccc2cc[nH]c12)c1ccccc1Cl	218063894	VACYHDCHEYUCST-GFCCVEGCSA-N	284.790	4.672	70	20	CJID	
COc1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1F	160027554	ONMSFDIVEXBJBD-MGPQQGTHSA-N	277.383	4.605	70	20	CJID	
CCn1c(C)cc(C(=O)Nc2cccc3ccccc23)c1C	217073739	XPTLLZXGTQRIQQ-UHFFFAOYSA-N	292.382	4.530	70	20	CJID	
Cc1cccc([C@H](C)N[C@@H](c2cccs2)C2CC2)c1	160180683	AFERMANRTFEVGX-SUMWQHHRSA-N	271.429	4.858	70	20	CJID	
CC[C@H](NCc1cc2ccccc2[nH]1)c1ccc(F)cc1	160836947	AGVMGNVRWOMRIF-KRWDZBQOSA-N	282.362	4.548	70	20	CJID	
Cc1cccc([C@H](C)N[C@@H]2CCC[C@H](C3CC3)C2)c1	160202472	VPQQXGFNHWGZCM-JCGIZDLHSA-N	257.421	4.614	70	20	CJID	
Fc1cc(Cl)ccc1CNc1cccc2ccncc12	160862765	KQRFJFHOIGULTQ-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
CCc1noc(C)c1CSc1cc(C)nc2ccccc12	160017016	OJYNHJJFBQVMES-UHFFFAOYSA-N	298.411	4.694	70	20	CJID	
COc1cc(NC2CC(c3ccc(C)cc3)C2)ccc1F	160149978	XTRPLENKTKJSQM-UHFFFAOYSA-N	285.362	4.501	70	20	CJID	
CCc1ccc(CNCc2cc(C)c(C)cc2C)s1	218215870	YJAYFKFTKYHPHR-UHFFFAOYSA-N	273.445	4.526	70	20	CJID	
Cc1ccccc1[C@H](C)Sc1nncc2ccccc12	160234836	FKKGVBKERVTTLN-ZDUSSCGKSA-N	280.396	4.792	70	20	CJID	
COc1cc(N[C@H](c2ccccc2)C(F)(F)F)ccc1F	160271855	GASMAHXGHQOULW-CQSZACIVSA-N	299.267	4.550	70	20	CJID	
COc1cc(NCc2ccc3ccccc3c2)ccc1F	160093210	CXLXEDMESBRGFI-UHFFFAOYSA-N	281.330	4.600	70	20	CJID	
CCCN(CCC)C(=O)Nc1ccc(C(C)(C)C)cc1	217301294	OFPALHUHYZEKLO-UHFFFAOYSA-N	276.424	4.638	70	20	CJID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccc2c(c1)CCC2	218156433	UKDXGSWPUQCXAB-KHYOSLBOSA-N	271.448	4.652	70	20	CJID	
CCSc1cc(Cl)ccc1C(=O)Nc1ccsc1	160093287	KFVIJIKMBBNVJH-UHFFFAOYSA-N	297.832	4.766	70	20	CJID	
Cc1ccccc1N(C(=O)c1cccc(C)c1C)C(C)C	216923543	LVVKBAJETIYMBD-UHFFFAOYSA-N	281.399	4.667	70	20	CJID	
CCc1cccc(CC)c1NC(=O)Nc1ccc(C)cc1	217267885	FDMXHBYYNSIADB-UHFFFAOYSA-N	282.387	4.764	70	20	CJID	
COc1cc(N[C@H](C)c2ccccc2Cl)ccc1F	160013195	WAXURCLQEYBCQM-SNVBAGLBSA-N	279.742	4.661	70	20	CJID	
Cc1cccc([C@H](C)N[C@H]2CCC[C@@H](C3CC3)C2)c1	160202842	VPQQXGFNHWGZCM-QGTPRVQTSA-N	257.421	4.614	70	20	CJID	
CC[C@H](NCCCCc1nc(C)cs1)c1cccs1	160666036	XGOUJYUSJNUUFC-ZDUSSCGKSA-N	294.489	4.577	70	20	CJID	
CCC[C@H](N[C@H](C)c1ccccn1)c1ccc(F)cc1F	159371385	FYIKGMXTCJJUIC-PXAZEXFGSA-N	290.357	4.552	70	20	CJID	
CCC[C@@H](NC(=O)N(C)C1CCCCC1)c1ccccc1	217426957	WNPNXDSOQKBIQK-QGZVFWFLSA-N	288.435	4.502	70	20	CJID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccc2c(c1)CCC2	218156505	UKDXGSWPUQCXAB-QMTMVMCOSA-N	271.448	4.652	70	20	CJID	
C[C@@H](NCc1ccc(Cl)cc1F)c1ccc(Cl)cc1	160658121	XZXDRJNINAEFSO-SNVBAGLBSA-N	298.188	4.983	70	20	CJID	
C[C@H](Cc1ccccc1Cl)NCc1cccc2cc[nH]c12	218151829	UJMQHDZHNPAJBC-CYBMUJFWSA-N	298.817	4.542	70	20	CJID	
Cc1ccc(CN[C@H](C)c2sc(C(C)C)nc2C)s1	160912192	KPNAUUALEXTFNY-LLVKDONJSA-N	294.489	4.796	70	20	CJID	
C[C@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1	217269049	LATPFTBXWOSUOC-HNNXBMFYSA-N	294.398	4.617	70	20	CJID	
CCc1ccc(CNCc2c(CC)oc3ccccc23)s1	218215690	GHURACBIQBVGLW-UHFFFAOYSA-N	299.439	4.909	70	20	CJID	
Cc1nc(-c2cc([C@H](C)N[C@@H](C)C3CC3)cs2)cs1	160123510	WSAYZRBTZDUVLM-UWVGGRQHSA-N	292.473	4.629	70	20	CJID	
CC(=O)Nc1cc(N[C@H]2CCCC[C@H]2C(C)C)ccc1C	160310604	AQLZSDGLIAKWPJ-IRXDYDNUSA-N	288.435	4.580	70	20	CJID	
Cc1cccc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)c1	160837050	AMAZDVIPMKBDGB-DNVCBOLYSA-N	265.400	4.642	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1cc(F)cc(Cl)c1)C2	160844930	LTBOJIUTNUGIPB-MJEQTWJJSA-N	295.829	4.784	70	20	CJID	
Cc1ccc2c(c1)[C@H](N[C@@H](C)Cc1ccccc1Cl)CC2	160776273	SCWIROMKGABFKM-IFXJQAMLSA-N	299.845	4.857	70	20	CJID	
Fc1cc(Cl)cc(CNc2cccc3c2CCCC3)c1	160798130	VMRHGAVEUWOOJG-UHFFFAOYSA-N	289.781	4.970	70	20	CJID	
c1cc(NCc2coc3ccccc23)c2cnccc2c1	161109958	PWYCBBXOMYQQNX-UHFFFAOYSA-N	274.323	4.593	70	20	CJID	
CC(C)c1ccc([C@H](N[C@H](C)c2cnccn2)C(C)C)cc1	160415432	XEOQLPOMGGKHDM-DNVCBOLYSA-N	297.446	4.648	70	20	CJID	
Fc1cc(Cl)cc(NCc2cccc3cccnc23)c1	217531486	DLTBCKVASPAYDI-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
CC[C@H](N[C@@H](CC)c1nc(C)cs1)c1ccc(F)cc1	160890538	IDLYBXFOFVOWDO-GJZGRUSLSA-N	292.423	4.783	70	20	CJID	
CC[C@H](Nc1ccc(F)c(OC)c1)c1ccccc1F	160043250	KWARKNFEXNUFFE-HNNXBMFYSA-N	277.314	4.537	70	20	CJID	
C[C@@H]1CCCC[C@@H]1CN[C@H](c1ccccc1)C1CC1	218151022	HAOXHIDUSPKFCC-ZTFGCOKTSA-N	257.421	4.554	70	20	CJID	
CCc1ccc([C@@H](N[C@H](C)c2cncs2)C(C)C)cc1	160401408	XZFLEJJKSFHYEZ-DYVFJYSZSA-N	288.460	4.753	70	20	CJID	
CC[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1	160926532	DPKZAKAGQVDSKI-MRXNPFEDSA-N	277.770	4.720	70	20	CJID	
Cc1ccc2c(c1)[C@H](N[C@H](C)CCc1ccccc1)CC2	160766398	VLZGSLVMGCUMMK-OXQOHEQNSA-N	279.427	4.593	70	20	CJID	
C[C@H](N[C@H](C)c1c(F)cccc1F)c1cccc(F)c1F	159435408	RIWTUEOXDOWLDJ-VHSXEESVSA-N	297.295	4.655	70	20	CJID	
CC(C)c1ccc([C@@H](N[C@@H](C)c2cnccn2)C(C)C)cc1	160415308	XEOQLPOMGGKHDM-KXBFYZLASA-N	297.446	4.648	70	20	CJID	
Cc1ccc(C)c([C@H](C)NCc2ccc(Cl)cc2F)c1	160744254	VTHDGBNZLVGGLM-ZDUSSCGKSA-N	291.797	4.947	70	20	CJID	
CCc1cccc(NC(=O)Nc2cc(C)ccc2C)c1	217183974	HQKZAHMRDXYUSF-UHFFFAOYSA-N	268.360	4.510	70	20	CJID	
Cc1ccc(NC(=O)NCCC2CCCCC2)cc1Cl	217305051	KRYNRSLCXDCMDB-UHFFFAOYSA-N	294.826	4.740	70	20	CJID	
CC(C)c1ccc(C(=O)Nc2ccccc2C(C)C)cn1	159444315	HRCXALRVDAADCA-UHFFFAOYSA-N	282.387	4.581	70	20	CJID	
COc1c(C)ccc(NCc2cc(Cl)ccc2F)c1C	160751327	ITQLDVYCGLXLOS-UHFFFAOYSA-N	293.769	4.717	70	20	CJID	
CCCOc1cccc(NCc2cc(F)cc(Cl)c2)c1	160854245	VPRGBISEDSPMHO-UHFFFAOYSA-N	293.769	4.880	70	20	CJID	
CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C)cc1	217301270	BICUWTPKJDTHQB-MRXNPFEDSA-N	288.435	4.781	70	20	CJID	
CCC[C@@H](N[C@H](CCCO)c1ccccc1)c1ccccc1	160663589	ICVNLWONECEGPC-WOJBJXKFSA-N	297.442	4.631	70	20	CJID	
Clc1ccccc1CSCc1noc2c1CCCC2	217032200	MKOSRLQEGNAPFY-UHFFFAOYSA-N	293.819	4.640	70	20	CJID	
Cc1ccccc1[C@H](C)SCCc1c(C)noc1C	160157703	VTWGNHJQCBHHMD-AWEZNQCLSA-N	275.417	4.637	70	20	CJID	
Cc1cccc([C@H](C)N[C@@H]2CCC(C)(C)C[C@H]2C)c1	160213929	VZNOIUQCVLTGIM-HLLBOEOZSA-N	259.437	4.860	70	20	CJID	
CCN(Cc1ccccc1)C(=O)c1csc2ccccc12	217162000	YUYWSWQQXJGCCM-UHFFFAOYSA-N	295.407	4.564	70	20	CJID	
C[C@H]1CC(C)(C)CC[C@@H]1N[C@H](C)c1ccc(F)cc1	159842197	PVTNOMYTACVVCE-ZENOOKHLSA-N	263.400	4.691	70	20	CJID	
CCc1ccc([C@H](C)NCc2cccc3cc[nH]c23)cc1	218065173	ABBJGBQEZSERDE-AWEZNQCLSA-N	278.399	4.581	70	20	CJID	
FC(F)(F)CCSCc1ccc(C(F)(F)F)cc1	217057493	KFXXDQNAKZJCQB-UHFFFAOYSA-N	288.256	4.891	70	20	CJID	
Fc1cc(Cl)cc(CN[C@H](c2ccccc2)C2CC2)c1	160867394	YDZCYZKQTODGKJ-QGZVFWFLSA-N	289.781	4.720	70	20	CJID	
Fc1ccc(Cl)cc1CNc1cccc2ncccc12	160639970	VGXOQBJCNQULQA-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
CC[C@H](N[C@H](CC)c1ccc(F)cc1F)c1nccs1	161082826	FEBRQNMHSGYYRK-KGLIPLIRSA-N	296.386	4.613	70	20	CJID	
Cc1ccccc1[C@@H](C)NCc1cc(F)cc(Cl)c1	160815565	FVDZFZQHKHTLGT-GFCCVEGCSA-N	277.770	4.638	70	20	CJID	
C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(F)cc1	217122705	DONKCXYFZCFCLM-CQSZACIVSA-N	269.363	4.556	70	20	CJID	
CCc1ccc([C@H](C)Nc2ccc(F)c(OC)c2)s1	160062315	QMPAAGNFGFKWHK-JTQLQIEISA-N	279.380	4.631	70	20	CJID	
Cc1cc(C)cc(NC(=O)Nc2c(F)cccc2Cl)c1	217313277	QVAZMKZQAPUKIJ-UHFFFAOYSA-N	292.741	4.740	70	20	CJID	
FC(F)(F)[C@H]1CCC[C@H](NCc2coc3ccccc23)C1	161087998	AATBAZVLRKAFRK-STQMWFEESA-N	297.320	4.644	70	20	CJID	
CC(C)c1ccc(CNCc2ccc(Cl)cc2F)cc1	160804287	YQKMQLOZMWSOJL-UHFFFAOYSA-N	291.797	4.892	70	20	CJID	
CCCN[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1	218032624	DHLVWACBLFAQQX-KYJSFNMBSA-N	259.437	4.862	70	20	CJID	
C[C@H](NCCCO[C@@H](C)c1ccccc1)c1ccccc1	216752351	KULQAUBFZAXTII-IRXDYDNUSA-N	283.415	4.505	70	20	CJID	
Cc1ccc(C[C@@H](C)NCc2cc(Cl)ccc2F)s1	160833526	BAQORECSTYFGBE-SNVBAGLBSA-N	297.826	4.570	70	20	CJID	
C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1Cl	217164045	MNMUCFOXCWYJAL-GTNSWQLSSA-N	289.781	4.817	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1cc(Cl)ccc1F)C2	160703103	ARKQABHGHGPENJ-MJEQTWJJSA-N	295.829	4.784	70	20	CJID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1ccc(Cl)cc1)C2	218383493	IDBXRTUYXNTGBC-QRTARXTBSA-N	277.839	4.644	70	20	CJID	
Cc1cccc([C@@H](C)NCc2c(F)cccc2Cl)c1	160153419	BCKZRLCXFGGYNH-GFCCVEGCSA-N	277.770	4.638	70	20	CJID	
Cc1ccccc1C[C@H](C)NCc1cc(Cl)ccc1F	160775529	YVFNWEQOTYUMHL-ZDUSSCGKSA-N	291.797	4.508	70	20	CJID	
Clc1cccc(CSCc2noc3c2CCCC3)c1	217010841	NCHJGUOEIIPYRE-UHFFFAOYSA-N	293.819	4.640	70	20	CJID	
Cc1cccc(C)c1CS[C@@H](C)c1nc(C2CC2)no1	161323153	LWDPDWLNFOSUTQ-LBPRGKRZSA-N	288.416	4.558	70	20	CJID	
CSc1ccc(CNC23CC4CC(CC(C4)C2)C3)s1	218643825	SATFAONJGDQMIW-UHFFFAOYSA-N	293.501	4.528	70	20	CJID	
Cc1ccc2c(c1)[C@H](N[C@@H](C)CCc1ccccc1)CC2	160766141	VLZGSLVMGCUMMK-OXJNMPFZSA-N	279.427	4.593	70	20	CJID	
CC[C@H](Nc1ccc(F)c(OC)c1)c1ccc(F)cc1	160089678	NCNYNRBLIVMTBF-HNNXBMFYSA-N	277.314	4.537	70	20	CJID	
Cc1ccc(Cl)c(NCc2c[nH]nc2-c2ccccc2)c1	218130034	PKJIIHXCOJYDSW-UHFFFAOYSA-N	297.789	4.651	70	20	CJID	
Cc1cc(C)c(C(=O)Nc2ccccc2-c2ccccc2)[nH]1	159955266	JAHIDNYSNKLRJS-UHFFFAOYSA-N	290.366	4.551	70	20	CJID	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1ccc(Cl)cc1	160812189	PMRRSHAIZXMLPQ-SNVBAGLBSA-N	298.188	4.983	70	20	CJID	
CC[C@H](N[C@@H](CC)c1ccc(F)cc1F)c1nccs1	161082711	FEBRQNMHSGYYRK-KBPBESRZSA-N	296.386	4.613	70	20	CJID	
Cc1ccc2c(c1)[C@@H](NCC[C@@H](C)c1ccccc1)CC2	160825252	XAOZZAXCYMULPH-UZLBHIALSA-N	279.427	4.766	70	20	CJID	
c1cnc2c(NCc3coc4ccccc34)cccc2c1	161060865	IICUUZVSBSJMLF-UHFFFAOYSA-N	274.323	4.593	70	20	CJID	
CC[C@H](NCc1cccc2cc[nH]c12)C1CCCCC1	218178348	OROWYWRSYMTTIS-KRWDZBQOSA-N	270.420	4.616	70	20	CJID	
C[C@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccccn1	159362771	ICOHISQISSLIDS-IFXJQAMLSA-N	298.405	4.803	70	20	CJID	
Fc1cc(Cl)cc(CNc2cccc3cccnc23)c1	160796454	LYOQPAHPJFLZHR-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
CCc1noc(C)c1CNc1ccc(-c2ccccc2)cc1	159364093	XIKVOXWNMFEMCN-UHFFFAOYSA-N	292.382	4.825	70	20	CJID	
Cc1cscc1NC(=O)Nc1ccccc1C(C)C	159669236	VBUQGSJRFYOHRV-UHFFFAOYSA-N	274.389	4.824	70	20	CJID	
C[C@H]1CCC[C@@H]1N[C@H](C)c1cc(Cl)ccc1Cl	218210762	WDJPGCDNRSPHRX-RBZYPMLTSA-N	272.219	4.833	70	20	CJID	
Cc1cscc1NC(=O)[C@H](C)Cc1cccc(Cl)c1	161175102	SRDBHOGTCWYVDR-SNVBAGLBSA-N	293.819	4.527	70	20	CJID	
CC[C@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C)cc1	217301271	BICUWTPKJDTHQB-INIZCTEOSA-N	288.435	4.781	70	20	CJID	
FC(F)(F)CCSCc1cccc(Cl)c1	217056287	NJUDQMSTTBXYEJ-UHFFFAOYSA-N	254.704	4.526	70	20	CJID	
CCOc1cc(C)ccc1NCc1cc(F)cc(Cl)c1	160899716	FXDBQGGGQUCECM-UHFFFAOYSA-N	293.769	4.798	70	20	CJID	
CCC[C@@H](NC(=O)N1CCCC[C@H]1CC)c1ccccc1	217426805	ZIIMYXCRHAWPMF-IAGOWNOFSA-N	288.435	4.502	70	20	CJID	
CCCOc1ccccc1NCc1cc(F)cc(Cl)c1	160843421	UTDBVHMFYFOGAV-UHFFFAOYSA-N	293.769	4.880	70	20	CJID	
C[C@H](NCc1ccc(Cl)cc1F)C1CCCCCC1	160867751	RBKZBSWJPAKCMI-LBPRGKRZSA-N	283.818	4.928	70	20	CJID	
CCCC1CCC(NCc2coc3ccccc23)CC1	161097293	ZLDYSBZFDBPZKX-UHFFFAOYSA-N	271.404	4.881	70	20	CJID	
C[C@@H](CCc1ccccc1)NCc1cc(Cl)ccc1F	160666793	GHWQBNQURRUAEQ-ZDUSSCGKSA-N	291.797	4.590	70	20	CJID	
CC(C)c1ccc([C@H](N[C@@H](C)c2cnccn2)C(C)C)cc1	160415187	XEOQLPOMGGKHDM-HNAYVOBHSA-N	297.446	4.648	70	20	CJID	
CCc1ccccc1CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218143217	MKYWJKMJEWIZHT-ZIFCJYIRSA-N	271.448	4.553	70	20	CJID	
Fc1cc(Cl)cc(CN[C@@H]2CCCc3ccccc32)c1	160818528	WOBYSJMUBKBRJK-QGZVFWFLSA-N	289.781	4.646	70	20	CJID	
CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C(C)(C)C)cc1	218039042	VNXAJBNQJZRQBN-BMGDILEWSA-N	289.463	4.592	70	20	CJID	
CSc1ccc([C@@H](C)NCc2cccc3cc[nH]c23)cc1	218151286	ANKHHKVUTPOMJF-CYBMUJFWSA-N	296.439	4.741	70	20	CJID	
CC(C)c1ccc([C@@H](N[C@H](C)c2cnn(C)c2)C(C)C)cc1	160416078	JTBINSVYVNSFOA-BEFAXECRSA-N	299.462	4.591	70	20	CJID	
C[C@@H](N[C@H](C)c1c(F)cccc1F)c1cccc(F)c1F	159435589	RIWTUEOXDOWLDJ-NXEZZACHSA-N	297.295	4.655	70	20	CJID	
Cc1ccc(C)c(NC(=O)Nc2c(F)cccc2Cl)c1	217313274	BOLGDMOIUGZAPD-UHFFFAOYSA-N	292.741	4.740	70	20	CJID	
C[C@H](Sc1nncc2ccccc12)c1cccc(F)c1	160238800	CQQMDCLVRYEOES-NSHDSACASA-N	284.359	4.622	70	20	CJID	
CC[C@H](NCc1ccc(Cl)cc1F)C1CCCCC1	160812168	YHEZTBRVLKCVIR-INIZCTEOSA-N	283.818	4.928	70	20	CJID	
CCc1ccc([C@H](N[C@H](C)c2cncs2)C(C)C)cc1	160401303	XZFLEJJKSFHYEZ-CXAGYDPISA-N	288.460	4.753	70	20	CJID	
CCc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(C)c2)cc1	217310714	PDIHXVNFNMRWTG-HNNXBMFYSA-N	296.414	4.749	70	20	CJID	
CC[C@@H](NCCCCc1nc(C)cs1)c1cccs1	160666146	XGOUJYUSJNUUFC-CYBMUJFWSA-N	294.489	4.577	70	20	CJID	
Cc1ccc(N[C@H]2C[C@H](C)Sc3sccc32)c(C)n1	217005751	ZDUKNRQKNAKANJ-HZMBPMFUSA-N	290.457	4.797	70	20	CJID	
CCCO[C@@H]1CCCN([C@@H](C)c2ccccc2Cl)CC1	217005611	XDPJYNYYHUIAOU-LSDHHAIUSA-N	295.854	4.682	70	20	CJID	
COc1cc(N[C@H](C)c2cccc(Cl)c2)ccc1F	159986604	BOSJTVFXPGWUJE-SNVBAGLBSA-N	279.742	4.661	70	20	CJID	
CSc1ccc([C@H](C)NCc2ccc(C)s2)cc1F	160920348	YVUSXLHUWQNZRW-NSHDSACASA-N	295.448	4.768	70	20	CJID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccc(F)cc1Cl	218151722	YDFSEFLYGUYQJD-XQQFMLRXSA-N	283.818	4.956	70	20	CJID	
Cc1noc(C)c1CCS[C@H](C)c1ccc(F)c(F)c1	160133144	LYLUXNUBVCURPD-LLVKDONJSA-N	297.370	4.607	70	20	CJID	
C[C@H](NCc1cc(Cl)ccc1F)C1CCCCCC1	160867889	JYKHWZUGAKTSMM-LBPRGKRZSA-N	283.818	4.928	70	20	CJID	
Cc1cccc([C@@H](C)NCc2ccc(Cl)cc2F)c1	160866871	OOFBCZYJSOHMBF-GFCCVEGCSA-N	277.770	4.638	70	20	CJID	
Cc1ccc(C)c([C@H](C)NCc2cc(Cl)ccc2F)c1	160744537	MZXXEKBUOOSGLZ-ZDUSSCGKSA-N	291.797	4.947	70	20	CJID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1C(C)C	160570423	SUFQCJITYBNKFI-CABCVRRESA-N	299.439	4.922	70	20	CJID	
CC(C)[C@@H](NCc1coc2ccccc12)c1ccccc1	161074420	VZAPFGCTNNAQBD-LJQANCHMSA-N	279.383	4.920	70	20	CJID	
Cc1cccc([C@@H](C)N[C@H]2CCc3ccc(C)cc32)c1	160837170	AMAZDVIPMKBDGB-BEFAXECRSA-N	265.400	4.642	70	20	CJID	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1c(F)cccc1F	160896592	BSDXVLJLNLETGY-SECBINFHSA-N	299.723	4.608	70	20	CJID	
FC(F)(F)[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)C2CC2)C1	217617640	XMIVIEPPODQFDL-OAGGEKHMSA-N	297.364	4.848	70	20	CJID	
CCC[C@@H](NC(=O)c1cccc(C)c1C)c1ccccc1	217029426	XAHGZTKWAWCOQQ-GOSISDBHSA-N	281.399	4.575	70	20	CJID	
C[C@H]1[C@H](C)CCC[C@H]1NCC[C@@H](C)c1ccccc1	218074686	SGEFHXLOUPFBNQ-XLMAVXFVSA-N	259.437	4.595	70	20	CJID	
Cc1cccc([C@H](C)C(=O)Nc2ccc3[nH]c(C)cc3c2)c1	159629123	MABMUPPBGOQQCM-AWEZNQCLSA-N	292.382	4.527	70	20	CJID	
C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1Cl	217164031	MNMUCFOXCWYJAL-APPDUMDISA-N	289.781	4.817	70	20	CJID	
Fc1cc(Cl)cc(CNc2cccc3cnccc23)c1	160842733	DNTVTCUNAJBWCX-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
C[C@@H](NCc1ccc(Cl)cc1F)C1CCCCCC1	160868003	RBKZBSWJPAKCMI-GFCCVEGCSA-N	283.818	4.928	70	20	CJID	
C[C@@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccccn1	159363198	ICOHISQISSLIDS-KUHUBIRLSA-N	298.405	4.803	70	20	CJID	
CC(C)c1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1	217311351	UAFVNLJGJDRHBA-UHFFFAOYSA-N	297.402	4.520	70	20	CJID	
CCc1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1	217313171	OKDFRPIAFVKUFV-UHFFFAOYSA-N	292.741	4.686	70	20	CJID	
COCc1ccc(CNc2cccc(-c3cccs3)c2)o1	159392685	KFWVIJVUWICRPX-UHFFFAOYSA-N	299.395	4.767	70	20	CJID	
COc1cc(NCc2cccc3ccccc23)ccc1F	159997161	AMDHSEZKGSBHHZ-UHFFFAOYSA-N	281.330	4.600	70	20	CJID	
CC[C@@H](NCc1cccc2cc[nH]c12)C1CCCCC1	218178288	OROWYWRSYMTTIS-QGZVFWFLSA-N	270.420	4.616	70	20	CJID	
C[C@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccccn1	159363041	ICOHISQISSLIDS-LIRRHRJNSA-N	298.405	4.803	70	20	CJID	
CC(C)[C@H](NC[C@H]1CCCC[C@@H]1C)c1ccccc1	218152558	QKCPJPGAYHDLNF-JQHSSLGASA-N	259.437	4.800	70	20	CJID	
Cc1cccc([C@@H](C)C(=O)Nc2ccc3[nH]c(C)cc3c2)c1	159629007	MABMUPPBGOQQCM-CQSZACIVSA-N	292.382	4.527	70	20	CJID	
FC(F)(F)[C@@H]1CCC[C@H](NCc2coc3ccccc23)C1	161088256	AATBAZVLRKAFRK-OLZOCXBDSA-N	297.320	4.644	70	20	CJID	
COc1cc(NC2CC(c3ccccc3C)C2)ccc1F	159962320	DQKCREQADXDYAG-UHFFFAOYSA-N	285.362	4.501	70	20	CJID	
C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1	217163990	LNHVWFWYYMBXSG-PIGZYNQJSA-N	289.781	4.817	70	20	CJID	
CCc1ccc(CS[C@H](C)c2nc(C3CC3)no2)cc1	217229355	PJYJRIIMVIIOMX-LLVKDONJSA-N	288.416	4.504	70	20	CJID	
C[C@@H]1C[C@H]1c1ccc(CN[C@H](c2ccccc2)C2CC2)o1	217736025	UZVSHJBURDSXKD-OMWUSAIZSA-N	281.399	4.644	70	20	CJID	
Cc1ccc2c(c1)[C@H](Nc1cccc3ccncc13)CC2	160835782	CRSGGGYPFZSRCB-LJQANCHMSA-N	274.367	4.643	70	20	CJID	
CC(C)(CNCc1cc(F)cc(Cl)c1)c1ccccc1	160904217	NXGWGITVPWJEMB-UHFFFAOYSA-N	291.797	4.547	70	20	CJID	
CC(C)[C@H](NCc1coc2ccccc12)c1ccccc1	161074315	VZAPFGCTNNAQBD-IBGZPJMESA-N	279.383	4.920	70	20	CJID	
C[C@H](NCCCO[C@H](C)c1ccccc1)c1ccccc1	216752440	KULQAUBFZAXTII-DLBZAZTESA-N	283.415	4.505	70	20	CJID	
C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1ccc(Cl)cc1	159976008	CMJGCLIJMHELFZ-MJEQTWJJSA-N	277.839	4.959	70	20	CJID	
Cc1noc(C)c1CCS[C@H](C)c1ccc(F)cc1F	160133411	WSKYJNHPWBVFLU-LLVKDONJSA-N	297.370	4.607	70	20	CJID	
CC[C@H](C)OCC(=O)Nc1c(C(C)C)cccc1C(C)C	160159085	OONPSIAAACGWKR-AWEZNQCLSA-N	291.435	4.687	70	20	CJID	
CC[C@H](N[C@@H](C)c1ccccc1C)c1nc(C)cs1	159457438	BFRJPIUSAJVYHI-ZFWWWQNUSA-N	274.433	4.562	70	20	CJID	
CC[C@@H](NCc1cc(F)cc(Cl)c1)C1CCCCC1	160928875	VEXFNYYOSRPEEW-MRXNPFEDSA-N	283.818	4.928	70	20	CJID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)C2CCC2)cc1	160407838	SELJJPCMUZBYDX-GOSISDBHSA-N	285.431	4.664	70	20	CJID	
Cc1cccc([C@H](C)N[C@H](c2cccs2)C2CC2)c1	160180831	AFERMANRTFEVGX-GUYCJALGSA-N	271.429	4.858	70	20	CJID	
C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(F)cc1F	159482258	LRZLLHUVFSMJID-NXEZZACHSA-N	297.295	4.655	70	20	CJID	
c1ccc2c(c1)SCC[C@H]2NCc1coc2ccccc12	161085870	ALIOEKHQRAVCHX-MRXNPFEDSA-N	295.407	4.760	70	20	CJID	
CCc1ccc(CN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)s1	218141480	UMGNTHXPKYEEJB-ISTRZQFTSA-N	277.477	4.615	70	20	CJID	
CCc1ccc(CN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)s1	218141398	UMGNTHXPKYEEJB-SRCQZFHVSA-N	277.477	4.615	70	20	CJID	
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1=CCCC1	159824111	UXLBOTZBVBVQLR-UHFFFAOYSA-N	290.577	4.696	70	20	CJID	
CC1(NCc2ccc(-c3nc4ccccc4s3)o2)CCC1	159917559	JKDYKZPFASSSIZ-UHFFFAOYSA-N	298.411	4.589	70	20	CJID	
COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(C)s1	160939601	WZDHWQSMPZMKML-LLVKDONJSA-N	295.835	4.569	70	20	CJID	
CC(C)c1ccc(NC(=O)NCCC2CCCCC2)cc1	217305049	FOQOEVPPZQEYJU-UHFFFAOYSA-N	288.435	4.902	70	20	CJID	
COc1cc(N[C@H](C)c2cc(C)sc2C)ccc1F	159997442	AHQZCRSFCVRDHZ-SNVBAGLBSA-N	279.380	4.686	70	20	CJID	
Cc1noc(C)c1CCS[C@H](C)c1cc(F)ccc1F	160132457	MDUSUOMQYCLWMM-LLVKDONJSA-N	297.370	4.607	70	20	CJID	
COc1cccc(N[C@H]2C[C@H](C)Sc3sccc32)c1	216998489	UBLFDGHADSQNSD-HZMBPMFUSA-N	291.441	4.794	70	20	CJID	
CC(C)c1ccc([C@H](N[C@H](C)c2cnn(C)c2)C(C)C)cc1	160415960	JTBINSVYVNSFOA-DNVCBOLYSA-N	299.462	4.591	70	20	CJID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)C2CCC2)cc1	160407715	SELJJPCMUZBYDX-SFHVURJKSA-N	285.431	4.664	70	20	CJID	
CCc1noc(C)c1CSCc1csc(C(C)C)n1	159721805	KIADQPJOWQICQB-UHFFFAOYSA-N	296.461	4.559	70	20	CJID	
CCc1noc(C)c1CS[C@@H](C)c1ccccc1	159657104	XVAWJEKTJMORTO-LBPRGKRZSA-N	261.390	4.540	70	20	CJID	
C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1cncc(F)c1	160298921	PECYWLQUHDQKMN-ZIAGYGMSSA-N	298.405	4.511	70	20	CJID	
Fc1ccc(Cl)cc1CNc1cccc2cccnc12	160635287	FMOWTQAIBQMQAS-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
Cc1noc(C)c1CCS[C@@H](C)CCc1ccccc1	160131123	KFGQEGHVJFISFG-ZDUSSCGKSA-N	289.444	4.588	70	20	CJID	
C[C@H](N[C@H](C)c1cc(F)ccc1F)c1cccc(F)c1F	159518178	ZUVQDQKHYDQDIH-VHSXEESVSA-N	297.295	4.655	70	20	CJID	
Fc1ccc(Cl)cc1CNc1cnc2ccccc2c1	160712266	NBPBLVBJQOAYKI-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159493250	YEXJHXAYTVYQPP-OLZOCXBDSA-N	275.342	4.685	70	20	CJID	
CC(C)C(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1	160381595	AZETZOOJOSLJMS-KRWDZBQOSA-N	273.420	4.520	70	20	CJID	
CN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1	217301249	FQAHURRQFQKZNU-UHFFFAOYSA-N	296.414	4.648	70	20	CJID	
c1ccc([C@H](NCc2coc3ccccc23)C2CC2)cc1	159810459	MNHVHCPEWPQCGG-IBGZPJMESA-N	277.367	4.674	70	20	CJID	
COc1cc(NC(CC(C)C)CC(C)C)ccc1F	159924402	DRFGFHYKZUGLNG-UHFFFAOYSA-N	267.388	4.707	70	20	CJID	
CCc1cccc(NC(=O)Nc2ccc(C)cc2C)c1	217183990	YOMALSDDSGYCAV-UHFFFAOYSA-N	268.360	4.510	70	20	CJID	
CCNc1nc(-c2cc(Cl)sc2Cl)cs1	218059966	XSQHJFUYRGZUCP-UHFFFAOYSA-N	279.217	4.610	70	20	CJID	
CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)o1	159494924	ZJLZZBRLVGVIOD-TZMCWYRMSA-N	293.407	4.550	70	20	CJID	
CC(C)[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1	160846882	OGHWJYJJXYCCPB-KRWDZBQOSA-N	291.797	4.966	70	20	CJID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccccc1Cl	218165248	WLXURGBALIGAJS-BFHYXJOUSA-N	265.828	4.817	70	20	CJID	
C[C@H](NCc1cc(Cl)ccc1F)c1ccccc1Cl	160660259	OJVDXZGFCKZDGW-JTQLQIEISA-N	298.188	4.983	70	20	CJID	
Cc1cccc([C@H](C)N[C@H]2CCC[C@H](C3CC3)C2)c1	160202589	VPQQXGFNHWGZCM-WBAXXEDZSA-N	257.421	4.614	70	20	CJID	
CC[C@@H](N[C@H](CC)c1ccc(F)cc1F)c1nccs1	161083076	FEBRQNMHSGYYRK-ZIAGYGMSSA-N	296.386	4.613	70	20	CJID	
CC(C)c1ccc([C@@H](N[C@@H](C)c2cnn(C)c2)C(C)C)cc1	160415832	JTBINSVYVNSFOA-KXBFYZLASA-N	299.462	4.591	70	20	CJID	
c1ccc2c(CN[C@@H]3CCCc4sccc43)coc2c1	159822772	VEXLYAKVKWKGHS-OAHLLOKOSA-N	283.396	4.662	70	20	CJID	
Fc1cc(Cl)cc(CNc2cnc3ccccc3c2)c1	160851497	XIZORABDHNKQJS-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
CCc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(C)c2)cc1	217310713	PDIHXVNFNMRWTG-OAHLLOKOSA-N	296.414	4.749	70	20	CJID	
C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1F	159434637	HCJSBORPOSAOQC-QWRGUYRKSA-N	279.305	4.516	70	20	CJID	
CCCC1CCC(Nc2ccc(F)c(OC)c2)CC1	160018415	DVSPEPKAEMURDB-UHFFFAOYSA-N	265.372	4.605	70	20	CJID	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1F	159434890	HCJSBORPOSAOQC-WDEREUQCSA-N	279.305	4.516	70	20	CJID	
Cc1ccc(C)c([C@@H](C)NCc2cc(Cl)ccc2F)c1	160744406	MZXXEKBUOOSGLZ-CYBMUJFWSA-N	291.797	4.947	70	20	CJID	
Cc1ccc(Cl)c(NCc2ccnc3ccccc23)c1	218133051	USQPPIJPPHLSAS-UHFFFAOYSA-N	282.774	4.809	70	20	CJID	
COc1cc(N[C@@H](C)c2ccccc2Cl)ccc1F	160013065	WAXURCLQEYBCQM-JTQLQIEISA-N	279.742	4.661	70	20	CJID	
C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(F)cc1F	159481799	LRZLLHUVFSMJID-UWVGGRQHSA-N	297.295	4.655	70	20	CJID	
CCc1cccc(CC)c1NC(=O)Nc1cscc1C	159768793	YIXGAKHCGBUEBA-UHFFFAOYSA-N	288.416	4.825	70	20	CJID	
Cc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C)cc1	217301367	MHCGCWDGRSKQEN-UHFFFAOYSA-N	296.414	4.614	70	20	CJID	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)o1	159494774	ZJLZZBRLVGVIOD-OCCSQVGLSA-N	293.407	4.550	70	20	CJID	
Cc1ccc2c(c1)[C@@H](Nc1cccc3ccncc13)CC2	160835905	CRSGGGYPFZSRCB-IBGZPJMESA-N	274.367	4.643	70	20	CJID	
CSc1ccc([C@@H](C)NCc2ccc(C)s2)cc1F	160920478	YVUSXLHUWQNZRW-LLVKDONJSA-N	295.448	4.768	70	20	CJID	
Cc1cc([C@@H](C)NCc2cc(F)cc(Cl)c2)c(C)o1	160921664	IOGRMIOXMGQVRF-SNVBAGLBSA-N	281.758	4.540	70	20	CJID	
Cc1ccc2c(c1)[C@H](NCC(C)(C)c1ccccc1)CC2	160813549	CNLJCZCLMPPIFG-LJQANCHMSA-N	279.427	4.550	70	20	CJID	
Cc1ccc([C@H](C)NCc2coc3ccccc23)c(C)c1	161090793	NGYGFESBVPUUAA-HNNXBMFYSA-N	279.383	4.900	70	20	CJID	
C[C@@H](N[C@H](C)c1nc(-c2ccccc2)cs1)c1ccco1	160215790	IMKTXAIYKMNGKV-CHWSQXEVSA-N	298.411	4.815	70	20	CJID	
CC(C)(CNCc1cc(F)cc(Cl)c1)c1cccs1	160964306	PJVPXJOORMOZMV-UHFFFAOYSA-N	297.826	4.608	70	20	CJID	
C[C@@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1ccc(F)cc1	159842065	PVTNOMYTACVVCE-IOASZLSFSA-N	263.400	4.691	70	20	CJID	
Fc1ccc(Cl)cc1CNc1ccc2c(c1)CCC2	160646211	RSOUMHPQOCPPDM-UHFFFAOYSA-N	275.754	4.580	70	20	CJID	
CCSc1ccc([C@H](C)N[C@@H](C)c2nccs2)cc1	159424429	DKBDFGYHOTXCJM-RYUDHWBXSA-N	292.473	4.667	70	20	CJID	
Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1C(C)C	160743937	XSIGRMXHNUCWNE-AWEZNQCLSA-N	294.826	4.691	70	20	CJID	
Cc1c(Cl)cccc1NC(=O)NCCC1CCCCC1	217305052	FHZWTFVAANOAMT-UHFFFAOYSA-N	294.826	4.740	70	20	CJID	
Cc1ccc(Cl)c(OCc2cccc3cccnc23)c1	217498331	GVPZOUXJYPPWTD-UHFFFAOYSA-N	283.758	4.776	70	20	CJID	
CC[C@@H](N[C@@H](C)c1ccccc1C)c1nc(C)cs1	159457576	BFRJPIUSAJVYHI-DZGCQCFKSA-N	274.433	4.562	70	20	CJID	
COc1cc(N[C@@H]2CCc3cc(Cl)ccc32)ccc1F	159991510	KOWRWWKVCJCIOU-OAHLLOKOSA-N	291.753	4.587	70	20	CJID	
C[C@@H](CCc1ccccc1)NCc1cc(F)cc(Cl)c1	160820043	ZOJPQNUPRLTLDK-ZDUSSCGKSA-N	291.797	4.590	70	20	CJID	
CC[C@@H](NCCc1ccc(Cl)s1)c1ccc(F)cc1	217769338	VONCGRKAAHFZJG-CQSZACIVSA-N	297.826	4.824	70	20	CJID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)CC2CC2)cc1	160360388	POKWCQCXKISDKO-SFHVURJKSA-N	285.431	4.664	70	20	CJID	
FC(F)Oc1ccccc1NCc1coc2ccccc12	161065164	POLCHYDYPIQCFS-UHFFFAOYSA-N	289.281	4.646	70	20	CJID	
CCC[C@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1F	159371161	FYIKGMXTCJJUIC-SJCJKPOMSA-N	290.357	4.552	70	20	CJID	
C[C@H](NC1(c2ccccc2)CCC1)c1ccc(F)cc1	217122717	DONKCXYFZCFCLM-AWEZNQCLSA-N	269.363	4.556	70	20	CJID	
CC[C@H](Nc1ccc2ncsc2c1)c1ccc(F)cc1	217768404	FJGAEVIVTWVCQW-AWEZNQCLSA-N	286.375	4.999	70	20	CJID	
CC(C)[C@H](NCc1cccc2cc[nH]c12)c1ccccc1	218080790	AYRCDHJEJBLECM-SFHVURJKSA-N	278.399	4.655	70	20	CJID	
COc1cc(N[C@@H](C)c2cccc(Cl)c2)ccc1F	159986455	BOSJTVFXPGWUJE-JTQLQIEISA-N	279.742	4.661	70	20	CJID	
CCCC[C@H](CC)CNc1nc2ccccc2s1	218489593	SDFZRWGQLLBQCN-LBPRGKRZSA-N	262.422	4.925	70	20	CJID	
Cc1noc(C)c1CCS[C@H](C)CCc1ccccc1	160131249	KFGQEGHVJFISFG-CYBMUJFWSA-N	289.444	4.588	70	20	CJID	
CCc1ccc(CNCc2c(C)cc(C)cc2C)s1	218219182	SOTQPQMOWFXUEE-UHFFFAOYSA-N	273.445	4.526	70	20	CJID	
C[C@@H](c1cccs1)N(C)CCSc1ccc(F)cc1	216905091	DEYDGYWSNDECEC-LBPRGKRZSA-N	295.448	4.672	70	20	CJID	
CCc1noc(C)c1CSCc1ccc2ccccc2n1	160083991	UGBBBDRYIKUDNY-UHFFFAOYSA-N	298.411	4.527	70	20	CJID	
CN(C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1	217301259	NWSOJFFQTNVKLR-UHFFFAOYSA-N	282.387	4.652	70	20	CJID	
CCc1ccc([C@@H](C)Nc2ccc(F)c(OC)c2)s1	160062190	QMPAAGNFGFKWHK-SNVBAGLBSA-N	279.380	4.631	70	20	CJID	
CCCCCC[C@H](C)NCc1cccc2cc[nH]c12	218058169	GIUKEOJKGFBEGC-AWEZNQCLSA-N	258.409	4.616	70	20	CJID	
FCCCSCc1csc(-c2ccc(F)cc2)n1	161203164	SLCZNGFFZOFWJF-UHFFFAOYSA-N	285.384	4.542	70	20	CJID	
C[C@H](NCc1ccc(Cl)cc1F)c1ccccc1Cl	160660003	ZWUIZDOIPIBQDC-JTQLQIEISA-N	298.188	4.983	70	20	CJID	
c1ccc(CCC2CCN(CCc3ccccc3)CC2)cc1	217094870	RLHMJCDNUGNMFM-UHFFFAOYSA-N	293.454	4.574	70	20	CJID	
CCc1ccccc1NC(=O)CCCc1sccc1C	160393164	VRQILQMKLXJYLJ-UHFFFAOYSA-N	287.428	4.580	70	20	CJID	
CC(C)(CNCc1cc(Cl)ccc1F)c1cccs1	160863072	QJOQOPQNVMSKTD-UHFFFAOYSA-N	297.826	4.608	70	20	CJID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccccc1Cl	218165121	WLXURGBALIGAJS-MJBXVCDLSA-N	265.828	4.817	70	20	CJID	
Cc1cscc1NC(=O)[C@@H](C)Cc1ccccc1Cl	161178705	LMFYKDAVNBUJPR-JTQLQIEISA-N	293.819	4.527	70	20	CJID	
Cc1cscc1NC(=O)Nc1ccccc1C(C)(C)C	159726524	KTKDBLCJJVNQMS-UHFFFAOYSA-N	288.416	4.998	70	20	CJID	
CCCCCC[C@@H](C)NCc1cccc2cc[nH]c12	218058105	GIUKEOJKGFBEGC-CQSZACIVSA-N	258.409	4.616	70	20	CJID	
C[C@@H](NCc1cc(Cl)ccc1F)c1ccccc1Cl	160660386	OJVDXZGFCKZDGW-SNVBAGLBSA-N	298.188	4.983	70	20	CJID	
C[C@H](NCc1cc(Cl)ccc1F)c1ccc(Cl)cc1	160658267	QJFFDXYHGDFKNI-JTQLQIEISA-N	298.188	4.983	70	20	CJID	
Fc1cc(Cl)cc(CN[C@H]2CCCc3sccc32)c1	160932351	RSHNZCOXMRTIRJ-AWEZNQCLSA-N	295.810	4.708	70	20	CJID	
Cc1ccc(CN[C@H](CC(C)C)c2ccccc2C)cn1	161330640	UWVMTNUPBDKPLV-LJQANCHMSA-N	282.431	4.575	70	20	CJID	
CC(=O)Nc1cc(N[C@@H]2CCCC[C@H]2C(C)C)ccc1C	160310504	AQLZSDGLIAKWPJ-DLBZAZTESA-N	288.435	4.580	70	20	CJID	
C[C@H]1CC(C)(C)CC[C@H]1N[C@H](C)c1ccc(F)cc1	159842441	PVTNOMYTACVVCE-WOSRLPQWSA-N	263.400	4.691	70	20	CJID	
Fc1ccc(Cl)cc1CNc1cccc2c1CCCC2	160638582	YGOZPFUXWIQDAR-UHFFFAOYSA-N	289.781	4.970	70	20	CJID	
CCn1nccc1CNc1ccc(C(C)C)cc1C(C)C	160033607	ZZLIJKWZKAHBMH-UHFFFAOYSA-N	285.435	4.762	70	20	CJID	
CCCC1CCC(N[C@H]2CCc3ccc(C)cc32)CC1	160817953	CWSAEVJEWKXLPN-KVWWFHCMSA-N	271.448	4.931	70	20	CJID	
CCC[C@H](NC(=O)c1cccc(C)c1C)c1ccccc1	217029456	XAHGZTKWAWCOQQ-SFHVURJKSA-N	281.399	4.575	70	20	CJID	
CCCC1CCC(N[C@@H]2CCc3ccc(C)cc32)CC1	160817816	CWSAEVJEWKXLPN-GXOAENINSA-N	271.448	4.931	70	20	CJID	
Cc1cccc(Cl)c1NC(=O)N1CCCC[C@@H]1C(C)C	160743805	XSIGRMXHNUCWNE-CQSZACIVSA-N	294.826	4.691	70	20	CJID	
CC(C)(C)CCCC(=O)N1CCC[C@@H]1c1cccc(F)c1	216844326	ACDPADSVONKGFA-MRXNPFEDSA-N	291.410	4.706	70	20	CJID	
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)o1	159495205	ZJLZZBRLVGVIOD-GXTWGEPZSA-N	293.407	4.550	70	20	CJID	
C[C@@H](NCc1cc(F)cc(Cl)c1)c1ccc(F)cc1F	160842075	OLRVEQPRLIVADG-SECBINFHSA-N	299.723	4.608	70	20	CJID	
Fc1cc(Cl)ccc1CNCc1cccc2ccccc12	160811059	BOIPBSGAOGWHCA-UHFFFAOYSA-N	299.776	4.922	70	20	CJID	
COc1cc(NCc2csc3ccccc23)ccc1F	159931576	HTWOIQKGZMVXQP-UHFFFAOYSA-N	287.359	4.661	70	20	CJID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1C(C)C	160570682	SUFQCJITYBNKFI-HUUCEWRRSA-N	299.439	4.922	70	20	CJID	
Cc1cccc([C@H](C)NCc2cc(F)cc(Cl)c2)c1	160967770	YTKSOYXCLRMWEK-LBPRGKRZSA-N	277.770	4.638	70	20	CJID	
CCCCN(C)C(=O)Nc1ccc(-c2ccccc2)cc1	217269121	RIZVUBLWVFORLM-UHFFFAOYSA-N	282.387	4.617	70	20	CJID	
Cc1cccc([C@H](C)N[C@H]2CCC(C)(C)C[C@@H]2C)c1	160213808	VZNOIUQCVLTGIM-ZOBUZTSGSA-N	259.437	4.860	70	20	CJID	
Cc1cccc([C@H](C)NCc2ccc(F)cc2Cl)c1	160250000	PGTJVXYBDMJBFL-LBPRGKRZSA-N	277.770	4.638	70	20	CJID	
CC[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(F)cc1	160837081	AGVMGNVRWOMRIF-QGZVFWFLSA-N	282.362	4.548	70	20	CJID	
CC[C@@H](Nc1ccc(F)c(OC)c1)c1ccc(F)cc1	160089818	NCNYNRBLIVMTBF-OAHLLOKOSA-N	277.314	4.537	70	20	CJID	
CCC[C@H](N[C@H](CCCO)c1ccccc1)c1ccccc1	160663464	ICVNLWONECEGPC-VQTJNVASSA-N	297.442	4.631	70	20	CJID	
CC(C)[C@@H](NCc1cc(Cl)ccc1F)c1ccccc1	160705253	XYXKFEXBWUAFFB-QGZVFWFLSA-N	291.797	4.966	70	20	CJID	
FC(F)(F)CCSCc1cccc(C(F)(F)F)c1	217057541	YSSOBLPVSWJERN-UHFFFAOYSA-N	288.256	4.891	70	20	CJID	
Fc1ccc(Cl)cc1CNc1ccc2ncccc2c1	160814778	ZECIIGNLAAYNBV-UHFFFAOYSA-N	286.737	4.639	70	20	CJID	
Cc1ccc2c(c1)[C@H](NCC[C@@H](C)c1ccccc1)CC2	160825144	XAOZZAXCYMULPH-OXQOHEQNSA-N	279.427	4.766	70	20	CJID	
Clc1c(CSc2ncccn2)sc2ccccc12	217067193	OWMIZZHBABAWCY-UHFFFAOYSA-N	292.816	4.637	70	20	CJID	
CCc1ccc([C@@H](C)NCc2cc(F)cc(Cl)c2)cc1	160845236	QDYTWHBTMWZZPC-GFCCVEGCSA-N	291.797	4.892	70	20	CJID	
CCOc1cc(F)ccc1NCc1cc(Cl)ccc1F	160739994	BOIUREMEVOKNJE-UHFFFAOYSA-N	297.732	4.629	70	20	CJID	
COc1c(C)ccc(NCc2cc(F)cc(Cl)c2)c1C	160878714	BGGJJBUASNXILI-UHFFFAOYSA-N	293.769	4.717	70	20	CJID	
CC(C)CN(CC(C)C)C(=O)c1csc2ccccc12	217636926	JSQRRLWNDPPSFF-UHFFFAOYSA-N	289.444	4.656	70	20	CJID	
COc1cc(N[C@@H](C)c2ccc(SC)cc2)ccc1F	160061040	XDDDJFDQZPKUPM-NSHDSACASA-N	291.391	4.729	70	20	CJID	
C[C@@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccccn1	159362901	ICOHISQISSLIDS-AUUYWEPGSA-N	298.405	4.803	70	20	CJID	
Cc1cscc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1	161174727	NFAFVIRULNOCBD-SNVBAGLBSA-N	293.819	4.527	70	20	CJID	
CSc1ccc([C@@H](C)NC[C@H]2CCCC[C@@H]2C)cc1	218159993	MRBOTAGEYZRCMV-SQWLQELKSA-N	277.477	4.885	70	20	CJID	
Cc1cc(C(=O)Nc2c(C)cccc2Cl)cc(C)c1F	159625409	AMQLSRUKKMVFGF-UHFFFAOYSA-N	291.753	4.657	70	20	CJID	
CCc1ccccc1CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218143138	MKYWJKMJEWIZHT-ZHALLVOQSA-N	271.448	4.553	70	20	CJID	
CC[C@@H](Sc1nncc2ccccc12)c1ccccc1	160227797	OMOAKJACYNFOIG-MRXNPFEDSA-N	280.396	4.873	70	20	CJID	
c1coc(CN(Cc2ccsc2)Cc2cccs2)c1	160665157	AKCDVUWSUGSMKK-UHFFFAOYSA-N	289.425	4.605	70	20	CJID	
CC(C)c1ccc(CNCc2cc(F)cc(Cl)c2)cc1	160922289	XWAOUXVNOPEWNL-UHFFFAOYSA-N	291.797	4.892	70	20	CJID	
CC[C@@H](NCc1cccc2cc[nH]c12)c1ccc(C)cc1	218068638	WGZUZINSKMQTKC-GOSISDBHSA-N	278.399	4.717	70	20	CJID	
CCC[C@H](NCc1cccc2cc[nH]c12)c1ccccc1	218074210	ILFICQVIJZWBBY-SFHVURJKSA-N	278.399	4.799	70	20	CJID	
CC[C@H](C)Oc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1	218183158	FNCLOJKKUOIFKE-QLFBSQMISA-N	261.409	4.855	70	20	CJID	
CCC1CCC(CNCc2cc(F)cc(Cl)c2)CC1	160903985	RPCYVUBFMMDILP-UHFFFAOYSA-N	283.818	4.785	70	20	CJID	
C[C@@H](Sc1nncc2ccccc12)c1cccc(F)c1	160238932	CQQMDCLVRYEOES-LLVKDONJSA-N	284.359	4.622	70	20	CJID	
C[C@H](NCc1cc(F)cc(Cl)c1)c1ccc(F)c(F)c1	160842211	JCLVMJDTKHPWRM-VIFPVBQESA-N	299.723	4.608	70	20	CJID	
O=C(C[C@@H]1C=CCC1)Nc1ccccc1Nc1ccccc1	216847611	APJKSDSYXPXNGQ-OAHLLOKOSA-N	292.382	4.725	70	20	CJID	
CC(=O)Nc1cc(N[C@@H]2CCCC[C@@H]2C(C)C)ccc1C	160310267	AQLZSDGLIAKWPJ-IAGOWNOFSA-N	288.435	4.580	70	20	CJID	
CCc1ccc(CS[C@@H](C)c2nc(C3CC3)no2)cc1	217229351	PJYJRIIMVIIOMX-NSHDSACASA-N	288.416	4.504	70	20	CJID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccc(Cl)s1	218157005	KRIDJECJTXJZAG-QJPTWQEYSA-N	271.857	4.878	70	20	CJID	
CCc1nc([C@@H](C)N[C@@H](CC)c2ccc(F)cc2)cs1	160905700	NAJSRRZGGCWUED-RISCZKNCSA-N	292.423	4.647	70	20	CJID	
Cc1cc(C(C)(C)C)cc(C)c1CN[C@@H](C)c1cccnc1	216727855	CUCBMRKQAXJXOK-INIZCTEOSA-N	296.458	4.847	70	20	CJID	
Cc1ccc(N[C@@H]2C[C@H](C)Sc3sccc32)c(C)n1	217005741	ZDUKNRQKNAKANJ-IINYFYTJSA-N	290.457	4.797	70	20	CJID	
Cc1ccc2c(c1)[C@H](NCC[C@H](C)c1ccccc1)CC2	160825396	XAOZZAXCYMULPH-OXJNMPFZSA-N	279.427	4.766	70	20	CJID	
Fc1cc(Cl)cc(CNc2ccc3c(c2)CCC3)c1	160802813	NYKGUWOKOBPLAL-UHFFFAOYSA-N	275.754	4.580	70	20	CJID	
CC[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1	160926416	DPKZAKAGQVDSKI-INIZCTEOSA-N	277.770	4.720	70	20	CJID	
CCc1cccc(NC(=O)Nc2cccc(C)c2C)c1	217183981	JQUDKMPGXYUJSS-UHFFFAOYSA-N	268.360	4.510	70	20	CJID	
CC(C)[C@H](NCc1cc(Cl)ccc1F)c1ccccc1	160705121	XYXKFEXBWUAFFB-KRWDZBQOSA-N	291.797	4.966	70	20	CJID	
C[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1Cl	160813692	NXQWMKLETKEYQP-JTQLQIEISA-N	298.188	4.983	70	20	CJID	
C[C@@H](Cc1ccccc1Cl)NCc1coc2ccccc12	161072243	PMSTUFUDWQJXQU-ZDUSSCGKSA-N	299.801	4.807	70	20	CJID	
Cc1nc(-c2cc([C@H](C)N[C@H](C)C3CC3)cs2)cs1	160123737	WSAYZRBTZDUVLM-ZJUUUORDSA-N	292.473	4.629	70	20	CJID	
Cc1cc(CN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)s1	218139563	SDBOJFKKURGHFW-HLLBOEOZSA-N	277.477	4.669	70	20	CJID	
C[C@H](N[C@@H](C)c1cccc(F)c1F)c1cc(F)ccc1F	159517894	ZUVQDQKHYDQDIH-UWVGGRQHSA-N	297.295	4.655	70	20	CJID	
Cc1cccc([C@@H](C)Sc2nncc3ccccc23)c1	160251034	DTTMOCGPBVDIOU-CYBMUJFWSA-N	280.396	4.792	70	20	CJID	
Cc1cccc(C(=O)Nc2ccc3ccccc3c2)c1F	161387635	FTNZKNKXKPBMKN-UHFFFAOYSA-N	279.314	4.540	70	20	CJID	
Cc1ccccc1C[C@H](C)NCc1cc(F)cc(Cl)c1	160899290	HTISVJCCKYRZDK-ZDUSSCGKSA-N	291.797	4.508	70	20	CJID	
Cc1ccc(CN[C@@H](CC(C)C)c2ccccc2C)cn1	161330733	UWVMTNUPBDKPLV-IBGZPJMESA-N	282.431	4.575	70	20	CJID	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1ccc(F)cc1F	159481982	LRZLLHUVFSMJID-VHSXEESVSA-N	297.295	4.655	70	20	CJID	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)Cc1ccccc1Cl)CC2	160776409	SCWIROMKGABFKM-LIRRHRJNSA-N	299.845	4.857	70	20	CJID	
C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1	217163999	LNHVWFWYYMBXSG-DIFFPNOSSA-N	289.781	4.817	70	20	CJID	
CCC(CC)NCC(c1ccccc1)c1ccccc1	218523023	BZJLATGRNLCERI-UHFFFAOYSA-N	267.416	4.597	70	20	CJID	
C[C@@H](NCc1cc(Cl)ccc1F)C1CCCCCC1	160868146	JYKHWZUGAKTSMM-GFCCVEGCSA-N	283.818	4.928	70	20	CJID	
C[C@H](OCCCN[C@H](C)c1ccccc1)c1ccccc1	216752305	KULQAUBFZAXTII-SJORKVTESA-N	283.415	4.505	70	20	CJID	
CCCC[C@@H](CC)CNc1nc2ccccc2s1	218489502	SDFZRWGQLLBQCN-GFCCVEGCSA-N	262.422	4.925	70	20	CJID	
Cc1ccc2c(c1)[C@@H](N[C@H](C)Cc1ccccc1Cl)CC2	160776669	SCWIROMKGABFKM-KUHUBIRLSA-N	299.845	4.857	70	20	CJID	
CC[C@H](N[C@H](CC)c1ccc(F)cc1)c1nc(C)cs1	160890707	IDLYBXFOFVOWDO-CABCVRRESA-N	292.423	4.783	70	20	CJID	
Cc1cc([C@@H](C)NCc2cccc3cc[nH]c23)c(C)s1	218089186	XUTAXGWMFRLKFP-GFCCVEGCSA-N	284.428	4.697	70	20	CJID	
CCC[C@H](NC(=O)N(C)C1CCCCC1)c1ccccc1	217427033	WNPNXDSOQKBIQK-KRWDZBQOSA-N	288.435	4.502	70	20	CJID	
O=C(C[C@H]1C=CCC1)Nc1ccccc1Nc1ccccc1	216847642	APJKSDSYXPXNGQ-HNNXBMFYSA-N	292.382	4.725	70	20	CJID	
CC[C@@H](NCc1ccc(Cl)cc1F)C1CCCCC1	160812291	YHEZTBRVLKCVIR-MRXNPFEDSA-N	283.818	4.928	70	20	CJID	
CC(C)c1ccccc1NC(=O)NCCC1CCCCC1	217305054	BAYJYXIOMJEFNM-UHFFFAOYSA-N	288.435	4.902	70	20	CJID	
Cc1ccc(CN[C@H](C)c2ccc(-c3ccccc3)o2)cn1	161320632	HOVJCFAGDZVJCH-OAHLLOKOSA-N	292.382	4.501	70	20	CJID	
C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1	217164004	LNHVWFWYYMBXSG-GTNSWQLSSA-N	289.781	4.817	70	20	CJID	
CC(C)c1ccc(CNCc2cccc3cc[nH]c23)cc1	218136153	CKYUDRSSAWKKNE-UHFFFAOYSA-N	278.399	4.581	70	20	CJID	
C[C@@H](Cc1ccccc1Cl)NCc1cccc2cc[nH]c12	218151750	UJMQHDZHNPAJBC-ZDUSSCGKSA-N	298.817	4.542	70	20	CJID	
CCc1noc(C)c1CS[C@H](C)c1ccccc1	159657277	XVAWJEKTJMORTO-GFCCVEGCSA-N	261.390	4.540	70	20	CJID	
COc1cc(NC2CC(C)(C)CC(C)(C)C2)ccc1F	160007961	UTKRBGGNXWRUIT-UHFFFAOYSA-N	279.399	4.851	70	20	CJID	
Cc1ccc(CN[C@@H](C)c2cc3cc(C)c(C)cc3o2)cn1	161272703	PPWBAYGSZJAYHR-HNNXBMFYSA-N	294.398	4.604	70	20	CJID	
COc1cc(N[C@H]2CCc3cc(Cl)ccc32)ccc1F	159991637	KOWRWWKVCJCIOU-HNNXBMFYSA-N	291.753	4.587	70	20	CJID	
C[C@H](N[C@H](C)c1ccco1)c1nc(-c2ccccc2)cs1	160215514	IMKTXAIYKMNGKV-OLZOCXBDSA-N	298.411	4.815	70	20	CJID	
Cc1ccc2c(c1)[C@H](N[C@H](C)Cc1ccccc1Cl)CC2	160776533	SCWIROMKGABFKM-AUUYWEPGSA-N	299.845	4.857	70	20	CJID	
CCOc1ccc(NCc2cc3ccccc3o2)cc1F	159495361	MPNYJVGZFKWWCH-UHFFFAOYSA-N	285.318	4.583	70	20	CJID	
Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3sccc31)CC2	160824339	MHYVBSLGQDFWFV-IAGOWNOFSA-N	283.440	4.711	70	20	CJID	
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)cc1	217301277	NZBCNLVSGYJBFZ-CJNGLKHVSA-N	288.435	4.684	70	20	CJID	
CC[C@H](N[C@H](CC)c1nccs1)c1ccc(F)cc1F	161082951	FEBRQNMHSGYYRK-UONOGXRCSA-N	296.386	4.613	70	20	CJID	
C[C@H]1CCC[C@H]1N[C@H](C)c1cc(Cl)ccc1Cl	218210691	WDJPGCDNRSPHRX-IMSIIYSGSA-N	272.219	4.833	70	20	CJID	
C[C@@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)cc1	218064502	NLXFFZPIJQJUGT-GFCCVEGCSA-N	284.790	4.672	70	20	CJID	
CCc1ccc([C@@H](C)NCc2cccc3cc[nH]c23)cc1	218065078	ABBJGBQEZSERDE-CQSZACIVSA-N	278.399	4.581	70	20	CJID	
CCCCN(CCCC)C(=O)NCCC1CCCCC1	217305153	QEIJLKQIUWCCAK-UHFFFAOYSA-N	282.472	4.569	70	20	CJID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccc(F)cc1Cl	218151805	YDFSEFLYGUYQJD-YNEHKIRRSA-N	283.818	4.956	70	20	CJID	
Cc1ccc(NC(=O)Nc2cscc2C)c(Cl)c1	159650890	DQPCQSXKTCUIMC-UHFFFAOYSA-N	280.780	4.662	70	20	CJID	
C[C@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)c1ccco1	160215379	IMKTXAIYKMNGKV-STQMWFEESA-N	298.411	4.815	70	20	CJID	
CCOc1cc(F)ccc1NCc1cc(F)cc(Cl)c1	160871442	LYYZTLJNJYGHQL-UHFFFAOYSA-N	297.732	4.629	70	20	CJID	
Cc1ncsc1CNc1cccc(-c2cccs2)c1	159389485	YFMVQVAYUCCZCP-UHFFFAOYSA-N	286.425	4.792	70	20	CJID	
COc1cc(NCc2ccc(C(C)(C)C)cc2)ccc1F	160016174	YPNIMKCTKXYSBJ-UHFFFAOYSA-N	287.378	4.744	70	20	CJID	
C[C@@H](N[C@H](C)c1cccc(F)c1F)c1cc(F)ccc1F	159518326	ZUVQDQKHYDQDIH-NXEZZACHSA-N	297.295	4.655	70	20	CJID	
CCc1ccc(CNCc2csc3ccccc23)s1	218220352	GXUHHUOPBVSZAF-UHFFFAOYSA-N	287.453	4.815	70	20	CJID	
Cc1ccc([C@H](C)NCc2cc(F)cc(Cl)c2)cc1	160896049	YFWOCGXKJYTHGT-LBPRGKRZSA-N	277.770	4.638	70	20	CJID	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)o1	159495062	ZJLZZBRLVGVIOD-JSGCOSHPSA-N	293.407	4.550	70	20	CJID	
CC[C@@H](N[C@H](CC)c1nc(C)cs1)c1ccc(F)cc1	160890861	IDLYBXFOFVOWDO-HUUCEWRRSA-N	292.423	4.783	70	20	CJID	
C[C@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)cc1Cl	218209969	KPNDPBVOIVIVHC-IMSIIYSGSA-N	272.219	4.833	70	20	CJID	
C[C@@H](CCc1ccccc1)NCc1ccc(Cl)cc1F	160666513	BNZPGIDDQGLKHK-ZDUSSCGKSA-N	291.797	4.590	70	20	CJID	
Cc1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1	217304687	CTVMNMSJQIRGPE-UHFFFAOYSA-N	295.169	4.946	70	20	CJID	
Cc1ccccc1[C@@H](C)Sc1nncc2ccccc12	160234709	FKKGVBKERVTTLN-CYBMUJFWSA-N	280.396	4.792	70	20	CJID	
CC[C@@H](N[C@H](C)c1ccccc1C)c1nc(C)cs1	159457865	BFRJPIUSAJVYHI-UKRRQHHQSA-N	274.433	4.562	70	20	CJID	
Cc1cccc([C@H](C)N[C@H]2CCC(C)(C)C[C@H]2C)c1	160214008	VZNOIUQCVLTGIM-VYDXJSESSA-N	259.437	4.860	70	20	CJID	
CC[C@H](NCc1cc(F)cc(Cl)c1)C1CCCCC1	160928757	VEXFNYYOSRPEEW-INIZCTEOSA-N	283.818	4.928	70	20	CJID	
CC[C@H](NCc1cc(Cl)ccc1F)C1CCCCC1	160812416	MUQSEYOQHAMEMG-INIZCTEOSA-N	283.818	4.928	70	20	CJID	
CC(C)(C)CCCC(=O)N1CCC[C@H]1c1cccc(F)c1	216844354	ACDPADSVONKGFA-INIZCTEOSA-N	291.410	4.706	70	20	CJID	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)CCc1ccccc1)CC2	160766268	VLZGSLVMGCUMMK-JXFKEZNVSA-N	279.427	4.593	70	20	CJID	
C[C@H]1C[C@H](Nc2ccc(F)cc2)c2ccsc2S1	216997950	OYLVWKYTGHMELK-ZANVPECISA-N	279.405	4.925	70	20	CJID	
FC(F)(F)[C@H]1CCC[C@@H](NCc2coc3ccccc23)C1	161087874	AATBAZVLRKAFRK-QWHCGFSZSA-N	297.320	4.644	70	20	CJID	
CC(C)Oc1ccccc1NCc1cc(Cl)ccc1F	160751602	UNXXOTQAUILECY-UHFFFAOYSA-N	293.769	4.878	70	20	CJID	
CC(C)c1ccc(CNCc2cc(Cl)ccc2F)cc1	160804424	PECMPZMHYOMWFY-UHFFFAOYSA-N	291.797	4.892	70	20	CJID	
C[C@H](NCc1cccc2cc[nH]c12)c1ccc(Cl)cc1	218064589	NLXFFZPIJQJUGT-LBPRGKRZSA-N	284.790	4.672	70	20	CJID	
Cc1ncccc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	216999752	QHLPOSBJDQFPLC-UHFFFAOYSA-N	296.414	4.889	70	20	CJID	
COc1cc(N[C@H](C)CCc2cccc(C)c2)ccc1F	160069002	CCCFOYXYMDNOPL-CQSZACIVSA-N	287.378	4.576	70	20	CJID	
Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3sccc31)CC2	160824471	MHYVBSLGQDFWFV-SJORKVTESA-N	283.440	4.711	70	20	CJID	
Cc1ccccc1C[C@@H](C)NCc1cc(F)cc(Cl)c1	160899175	HTISVJCCKYRZDK-CYBMUJFWSA-N	291.797	4.508	70	20	CJID	
CCCC1CCC(NCc2cc(Cl)ccc2F)CC1	160796143	RMJCGYKAFATDTC-UHFFFAOYSA-N	283.818	4.928	70	20	CJID	
CCc1nc([C@H](C)N[C@@H](CC)c2ccc(F)cc2)cs1	160905824	NAJSRRZGGCWUED-FZMZJTMJSA-N	292.423	4.647	70	20	CJID	
Cc1cscc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1	161174592	NFAFVIRULNOCBD-JTQLQIEISA-N	293.819	4.527	70	20	CJID	
FC(F)Oc1cccc(NCc2coc3ccccc23)c1	161076977	JAYYYFGMDAFSQP-UHFFFAOYSA-N	289.281	4.646	70	20	CJID	
Cc1cccc([C@@H](C)SCCc2c(C)noc2C)c1	160147562	QHCJNEDXLZDFKC-CQSZACIVSA-N	275.417	4.637	70	20	CJID	
CCCOc1cccc(NCc2cc(Cl)ccc2F)c1	160714832	IXDBAFNGDQTSHX-UHFFFAOYSA-N	293.769	4.880	70	20	CJID	
Cc1ccc(C)c(C(=O)N(c2ccccc2C)C(C)C)c1	216923514	ARUZAZFUHWBUII-UHFFFAOYSA-N	281.399	4.667	70	20	CJID	
COc1ccc(Cl)cc1[C@H](C)NCc1ccc(C)s1	160939482	WZDHWQSMPZMKML-NSHDSACASA-N	295.835	4.569	70	20	CJID	
CC[C@@H](Nc1ccc(F)c(OC)c1)c1ccccc1F	160043404	KWARKNFEXNUFFE-OAHLLOKOSA-N	277.314	4.537	70	20	CJID	
C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cncc(F)c1	160298518	PECYWLQUHDQKMN-KBPBESRZSA-N	298.405	4.511	70	20	CJID	
Cc1ccc(CN[C@@H](C)c2ccc(-c3ccccc3)o2)cn1	161320525	HOVJCFAGDZVJCH-HNNXBMFYSA-N	292.382	4.501	70	20	CJID	
CCOCCSCc1ccc(-c2ccccc2)cc1	217458125	XEBMGUFVEUNBSN-UHFFFAOYSA-N	272.413	4.623	70	20	CJID	
C[C@H](Sc1nncc2ccccc12)c1ccccc1F	160258705	VQBBOFPUBYSNBX-NSHDSACASA-N	284.359	4.622	70	20	CJID	
Cc1cc([C@H](C)NCc2cccc3cc[nH]c23)c(C)s1	218089253	XUTAXGWMFRLKFP-LBPRGKRZSA-N	284.428	4.697	70	20	CJID	
Cc1ccc(CN[C@@H](C)c2cccc(Cl)c2Cl)cn1	161268406	XABHMXJQJOHKHI-NSHDSACASA-N	295.213	4.548	70	20	CJID	
Cc1cc([C@H](C)NCc2coc3ccccc23)c(C)s1	161085309	CIYWWUOAWMOZPV-LBPRGKRZSA-N	285.412	4.962	70	20	CJID	
Cc1cccc(C)c1CS[C@H](C)c1nc(C2CC2)no1	161323272	LWDPDWLNFOSUTQ-GFCCVEGCSA-N	288.416	4.558	70	20	CJID	
FC(F)(F)CCSCc1ccc(Br)cc1	217056477	WSPSGKXOKFFFIT-UHFFFAOYSA-N	299.155	4.635	70	20	CJID	
C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1	217269047	LATPFTBXWOSUOC-OAHLLOKOSA-N	294.398	4.617	70	20	CJID	
c1cc(NCc2coc3ccccc23)c2cccnc2c1	161062251	LVEBUUSKGMVLGZ-UHFFFAOYSA-N	274.323	4.593	70	20	CJID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccccc1C(C)C	160570543	SUFQCJITYBNKFI-GJZGRUSLSA-N	299.439	4.922	70	20	CJID