smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@H](N[C@H](c1ccccc1)c1ccco1)c1cccs1	41640160	ARULPRHEWIUBEG-MAUKXSAKSA-N	297.423	5.171	0	20	CKAD	
CC[C@@H](N[C@H]1CCCc2sccc21)c1cccc(F)c1	166576511	CIVADKPRYZYLTR-CVEARBPZSA-N	289.419	5.006	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1c(C(C)C)cccc1C(C)C	215608671	GKJKQEXCZNIPOJ-NTEUORMPSA-N	273.420	5.228	0	20	CKAD	
Cc1nc(CS[C@@H](C)c2ccc(F)c(F)c2)sc1C	531037655	GGZLCWYGXDKGKP-JTQLQIEISA-N	299.411	5.033	0	20	CKAD	
CC[C@@H](N[C@@H](c1ncccc1C)C(C)C)c1cccc(C)c1	576965023	LFJNPWYXYZUIMY-RTBURBONSA-N	296.458	5.136	0	20	CKAD	
CCc1ccccc1NC(=O)[C@H](CC(C)C)c1ccccc1	607061972	MFOKKAGKUMOEHI-GOSISDBHSA-N	295.426	5.017	0	20	CKAD	
COc1ccccc1-c1ccc([C@H](C)N(C)CC(C)C)cc1	607748916	DBEAQNCFTGNSQR-INIZCTEOSA-N	297.442	5.011	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)cc1Cl	773116859	HQXFJXFXJKXDSZ-HZMBPMFUSA-N	297.229	5.123	0	20	CKAD	
C/C=C(\CC)C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1	789628986	KVVZHJFPPBUGDL-ULIPXBITSA-N	299.414	5.089	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccccc1Cl	35055320	YGGFCFWUVOPCHH-UGSOOPFHSA-N	285.818	5.142	0	20	CKAD	
Cc1c([C@@H](C)N[C@H](C)c2cccs2)oc2ccccc12	37235078	DFDKEUGSPRUGKR-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccc(Cl)o1)c1ccccc1	37509349	DYTAQCWPXBMPGN-QGZVFWFLSA-N	291.822	5.200	0	20	CKAD	
Cc1cc(CNCc2ccc(-c3ccccc3)s2)cs1	381280638	KXEQTMHLAKXZOG-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
CCC(CC)(CC)[S@](=O)Cc1cccc2ccccc12	431196399	GDTPVGCDWOVILR-HXUWFJFHSA-N	288.456	5.057	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C1CCCC1)c1ccncc1	453094069	WVFHZURJQHHNAX-PMACEKPBSA-N	294.442	5.054	0	20	CKAD	
CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(C(F)F)c1	510854824	WOQWEVFSSDXWGR-ZDUSSCGKSA-N	295.373	5.169	0	20	CKAD	
Cc1ccc(C)c(CN[C@@H](C)c2csc3ccccc23)c1	730019773	PHOBDTHRLZHUDF-HNNXBMFYSA-N	295.451	5.369	0	20	CKAD	
C[C@H](Sc1nc(C(F)(F)F)cs1)c1cccs1	770462233	BTYKGEAZSUPDPP-LURJTMIESA-N	295.376	5.077	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cc3ccccc3[nH]2)c1	775628551	SHECXLMGWPACGY-HZPDHXFCSA-N	292.426	5.197	0	20	CKAD	
Cl/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1	7914425	SWQVBPHETLAPAC-XFXZXTDPSA-N	290.149	5.218	0	20	CKAD	
Cc1ccccc1SCc1coc(-c2ccc(F)cc2)n1	60430530	FHPQICDASDCCFW-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
c1ccc2c(CN[C@@H]3CCCc4sccc43)cccc2c1	61329395	ODWIHTXZEZRDGM-GOSISDBHSA-N	293.435	5.069	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2nc3ccccc3s2)c1	157219207	WHSOPRQPIITVLB-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
C/C=C(\CC)C(=O)Nc1c(CCC)cccc1C(C)C	189254708	CNTOETUSTQUFDB-VGOFMYFVSA-N	273.420	5.057	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1	314171263	ZMIJHSHMZDXXDA-IRXDYDNUSA-N	297.442	5.194	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccccc2)C(C)C)cs1	381703523	HJSWQCXDRQCPPP-WMLDXEAASA-N	273.445	5.104	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1ccccc1F	386459950	SAZYOCBOKILTQD-NSHDSACASA-N	271.360	5.214	0	20	CKAD	
C[C@H](SCc1nccs1)c1ccc2ccccc2c1	446954241	MCJNVMLBNYMRBU-LBPRGKRZSA-N	285.437	5.291	0	20	CKAD	
Cc1cccc([C@H](C)NCc2cccc(C(F)F)c2)c1C	470766706	RBRPTLAMCVXBAY-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccs1)c1cc2cccc(F)c2o1	474098779	OGLAYUDCIGBAAY-GHMZBOCLSA-N	289.375	5.045	0	20	CKAD	
CCCCc1ccc([C@@H](C)N[C@H](CC)c2ccncc2)cc1	483718260	ALBJROYFGIZYIU-OXQOHEQNSA-N	296.458	5.226	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@H]3CCCc4occc43)oc2c1	495259910	OTDSTJIYWQWHOE-BBRMVZONSA-N	295.382	5.062	0	20	CKAD	
COc1c(Cl)cccc1N[C@H](C)c1cccc(Cl)c1	512903430	ZGKHOAFTTYJIBP-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
C[C@H](Nc1ccc(SC2CCCC2)cc1)c1ccncc1	37085908	QVXIGCJXJJPBDE-AWEZNQCLSA-N	298.455	5.289	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1cccc(Cl)c1	42328856	WOQWIPWBWYRCJN-BZNIZROVSA-N	291.847	5.203	0	20	CKAD	
FC1(F)CCC[C@@H](c2cc(-c3ccccc3)ccn2)C1	95831268	WPZUEBKIWMXZPO-OAHLLOKOSA-N	273.326	5.042	0	20	CKAD	
CCOc1ccc([C@H](C)NCc2ccc(C(C)C)cc2)cc1	315580804	QPRJATVDGRRAEA-INIZCTEOSA-N	297.442	5.060	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)NCc2ccc(C(F)F)cc2)c1	461358833	HDYJGLGPBWQULG-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H]2CCc3c(C)cccc32)cc1	467453899	HTCDWRSPOWVCEU-KUHUBIRLSA-N	297.467	5.055	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)oc1C)c1ccc(Cl)s1	481955167	FCZAWCJNYDAOFJ-ZWNOBZJWSA-N	297.851	5.413	0	20	CKAD	
Cc1ncsc1CCS[C@H](C)c1ccc(Cl)cc1	509985623	YIBXEDGBRYEJLG-LLVKDONJSA-N	297.876	5.142	0	20	CKAD	
CCc1cccc(C)c1NC(=O)[C@H](C)CC1CCCCC1	510190102	MPBUQQHLAMLOPQ-OAHLLOKOSA-N	287.447	5.102	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H]1C[C@H](C)c2ccccc21	564222398	VDENAPDRYWCLFB-IYOUNJFTSA-N	297.467	5.308	0	20	CKAD	
CC[C@H](S[C@H](C)c1cccnc1)c1ccc(F)cc1	575899490	ADUWNYWHWJKFEQ-WBMJQRKESA-N	275.392	5.166	0	20	CKAD	
C(=C\c1nc2c(ccc3ccccc32)s1)\c1nccs1	592422934	IRNBUFUXZJRPBE-FPLPWBNLSA-N	294.404	5.076	0	20	CKAD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1ccsc1	765833566	MRKFFUWUHFMPIQ-NWDGAFQWSA-N	287.453	5.375	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccnc1)c1cccc2ccccc12	886790457	DBFUJYJAZZTPLR-QRWLVFNGSA-N	290.410	5.037	0	20	CKAD	
CCCCC[C@@H](C)NC(=O)Nc1ccccc1C(C)(C)C	915307813	RPNMMOYODBHDED-CQSZACIVSA-N	290.451	5.074	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)s1	41203633	UMHBBAVQNHHNPJ-WDEREUQCSA-N	295.398	5.001	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc(C(F)(F)F)c2)cs1	381409959	XNKZVPRLXJYTRP-JTQLQIEISA-N	285.334	5.248	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1	476550612	SSZRYWZXJPPEIE-ZDUSSCGKSA-N	286.419	5.269	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@H](C)c2ccc(CC(C)C)cc2)c1	514086498	BBLYBDYGXHGXTB-IAGOWNOFSA-N	296.458	5.000	0	20	CKAD	
CCCCCSCc1ncc(-c2ccccc2C)o1	533815605	QEEKMGJSCQCFKF-UHFFFAOYSA-N	275.417	5.073	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](CC2CC2)c2ccccc2)c1	538632523	CYWLMZDKYLQYRT-QRWLVFNGSA-N	295.426	5.347	0	20	CKAD	
CCc1c([C@H](C)N[C@@H](C)c2cccs2)oc2ccccc12	22152076	IFMXOSGNJACVCM-STQMWFEESA-N	299.439	5.469	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)c(C)s1	36953035	VXRNRECRTADROI-WDEREUQCSA-N	295.398	5.055	0	20	CKAD	
Cc1ccccc1[C@@H](C)NCc1cc(Cl)cc(Cl)c1	37423599	WFRKFDFGDPSVHU-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(Cl)cc2Cl)c(C)o1	44729305	BSNBIVHTHUCQSY-JTQLQIEISA-N	298.213	5.054	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)c(C)o1	315537173	JURZULHNOCSTLE-NSHDSACASA-N	296.370	5.088	0	20	CKAD	
Cc1ccc(NC(=O)c2ccc(SC(C)C)cc2)c(C)c1	511786985	WEJASNKWXNJCPA-UHFFFAOYSA-N	299.439	5.056	0	20	CKAD	
C/C=C\c1ccc(NCc2cnc(C3CCC3)s2)cc1	581571009	VZIVBCPCGKWQKU-RQOWECAXSA-N	284.428	5.056	0	20	CKAD	
Cc1ccc(C2CC2)c(C(=O)Nc2ccc(C)c(Cl)c2)c1	622273581	UZGXWBHLIPWFNL-UHFFFAOYSA-N	299.801	5.087	0	20	CKAD	
CC1CCC(=CC(=O)Nc2ccc(Cl)cc2Cl)CC1	734099985	YNMWZGJOIUQEIU-UHFFFAOYSA-N	298.213	5.068	0	20	CKAD	
C[C@@H]1CCC[C@H](SC2=Nc3ccccc3CS2)C1	735414269	MXXXISGEQBQORO-YPMHNXCESA-N	277.458	5.233	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C	741882096	KTWUWBYQJFUHPT-CQSZACIVSA-N	275.436	5.157	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@H](C)c1cc2ccccc2o1	163306192	NEDMAJINAAHLJO-NWDGAFQWSA-N	299.336	5.205	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1	224973089	OGYRZVLFGFBXNS-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
c1ccc(C(N[C@H]2CCc3ccccc32)c2ccccc2)cc1	319803548	JLEYKAOKPACRCS-NRFANRHFSA-N	299.417	5.053	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1ccc2[nH]c(C)c(C)c2c1	481422259	KFBVRLFKZQBRJW-CQSZACIVSA-N	298.455	5.005	0	20	CKAD	
Cc1ccsc1CNCc1ccccc1-c1ccccc1	917394160	UBEUBRCNAZEPAC-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CC(C)c1ccc(NCc2ccccc2OC(F)F)cc1	20566104	CZOWPUJBTBQQSQ-UHFFFAOYSA-N	291.341	5.024	0	20	CKAD	
CC(C)c1ccc(S[C@H](C)c2nc(C(C)C)no2)cc1	58657051	NLZBJMKSMADESU-GFCCVEGCSA-N	290.432	5.170	0	20	CKAD	
Cc1ccccc1SCc1ncc(-c2ccc(F)cc2)o1	59929396	RUCLRMRXTPRVSA-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CCc1cc(C(=O)Nc2c(C)cccc2C(C)C)oc1CC	426880977	GYAGASXGKYQNDW-UHFFFAOYSA-N	299.414	5.089	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1cccs1)C(C)C	483114662	UPHNSJXOGQPEBM-WMLDXEAASA-N	273.445	5.104	0	20	CKAD	
CCCC[C@H](CC)CC(=O)N1CCC[C@H]1c1cccs1	522670306	JBFZEAUKLGWIJP-GJZGRUSLSA-N	293.476	5.018	0	20	CKAD	
Cc1cncc(CN[C@H](CCCC(C)C)c2ccccc2)c1	537948797	DFBCNPOXCCXTAK-HXUWFJFHSA-N	296.458	5.047	0	20	CKAD	
CC[C@H](NC1(c2cccc(Cl)c2)CC1)c1cccs1	540752055	PKRWDTWNKNXAEW-AWEZNQCLSA-N	291.847	5.132	0	20	CKAD	
CC[C@@H](NCc1ccc(F)cc1C)c1ccc(Cl)s1	548486187	ZOJXIUZZXHEDNP-CYBMUJFWSA-N	297.826	5.090	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cc3ccncc3s2)c1	658030529	DSMYYNCVDZLDFY-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CC/C=C(\C)C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	918643750	OHTKDEMNLYDRBN-PSSQXEACSA-N	299.458	5.004	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cccs1	37235265	OYUBSXUAPGKCTG-BDJLRTHQSA-N	291.847	5.203	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(C(F)F)cc2)c(C)s1	131348039	CARDOZKGZALKAB-LLVKDONJSA-N	295.398	5.153	0	20	CKAD	
C[C@@H](CCC(C)(C)C)C(=O)Nc1ccccc1C(F)F	425080256	ANUCQMLULPQJEL-NSHDSACASA-N	283.362	5.025	0	20	CKAD	
Cc1cc(C)c(NC(=O)CC/C=C/c2ccccc2)c(C)c1	531122769	ONYOCIQJFCUPBE-YRNVUSSQSA-N	293.410	5.044	0	20	CKAD	
C[C@@H](SCc1ccccc1C(F)(F)F)c1cccnc1	577496714	KIUGYRRGNXTWNL-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
CCCc1ccccc1NC(=O)CC/C=C/c1ccccc1	606174254	JHONKEQHBSXTEN-AWNIVKPZSA-N	293.410	5.071	0	20	CKAD	
CCC(CC)[C@@H](NCc1cccc(F)c1)c1cccs1	620760715	OAGHWSRLZWDHGC-QGZVFWFLSA-N	291.435	5.154	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccn1	675816585	PGWZLXOLDANKFT-WMLDXEAASA-N	294.398	5.020	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CC(C)(C)CC(F)F	887615281	AZSHDXUUAPWGOR-UHFFFAOYSA-N	297.389	5.128	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1cc(F)ccc1F	171119448	KNONJQWTLTUTBD-SECBINFHSA-N	283.268	5.076	0	20	CKAD	
Cl/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2o1	213715308	SWQVBPHETLAPAC-FMIVXFBMSA-N	290.149	5.218	0	20	CKAD	
CCC(CC)n1ccc(CNc2cccc3ccsc23)n1	395440754	PTMZOCRXMNBNFX-UHFFFAOYSA-N	299.443	5.071	0	20	CKAD	
CSc1cccc(N[C@@H](C)CCCC(F)(F)F)c1C	480307311	KHIOJYZDDDFCNK-JTQLQIEISA-N	291.382	5.250	0	20	CKAD	
Fc1ccc(Cl)cc1SCc1csc(C2CC2)n1	506384756	YCAOGFUGTHUEEE-UHFFFAOYSA-N	299.823	5.105	0	20	CKAD	
C[C@@H](SCCCF)c1ncc(-c2ccc(Cl)cc2)o1	507638789	XUHFERGXXJFFHS-SNVBAGLBSA-N	299.798	5.149	0	20	CKAD	
C[C@H](NC1(c2ccccc2)CCC1)c1cc2ccccc2o1	539665965	CHBIZLWOONZFAM-HNNXBMFYSA-N	291.394	5.163	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccsc1	550795741	KBAJFACQDPUAQH-CHWSQXEVSA-N	271.429	5.037	0	20	CKAD	
CSc1ccc(N[C@H](CC(C)C)c2ccncc2)cc1	647296602	OWRHQICVIOIYOT-QGZVFWFLSA-N	286.444	5.003	0	20	CKAD	
Cc1cc(N[C@H](C)c2ccsc2)ccc1OC(C)C	777701334	DNAHBUMLEQDLII-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
CC/C(C)=C(\C)C(=O)Nc1ccccc1-c1cccs1	779761670	AQDLIWGDBJADPG-OUKQBFOZSA-N	285.412	5.100	0	20	CKAD	
CC[C@H](N[C@H](C)c1cscn1)c1cccc2ccccc12	886790643	IZFYHBBGIGLGKC-DYVFJYSZSA-N	296.439	5.098	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCc3sc(Cl)cc32)s1	129610330	ZFKWDTPEQLADQK-KOLCDFICSA-N	297.876	5.110	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2nc3ccccc3s2)c1	157271173	WHSOPRQPIITVLB-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
Cc1cccc([C@H](C)Nc2cccc(COCC3CC3)c2)c1	439567499	HEWIPVVLIKUXLH-INIZCTEOSA-N	295.426	5.095	0	20	CKAD	
Cc1ccc(-c2cnc(CSc3ccccc3F)o2)cc1	463035614	HJTIFLMNNMVCOX-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CCC[C@H](Nc1ccc(C2CCC2)cc1)c1cccnc1	494496692	VABBNFKVYIHTIT-IBGZPJMESA-N	280.415	5.302	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@@H]2CCc3ccccc32)cc1	531705035	MWMOOQOEANFZCI-IFXJQAMLSA-N	297.467	5.137	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1cccc(C(F)F)c1	741921189	ZCKVRKVGTOVEBF-GFCCVEGCSA-N	283.362	5.169	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](CC(C)C)c2ccccc2)o1	36960038	SKBBTPKWLVOQQT-DOTOQJQBSA-N	271.404	5.026	0	20	CKAD	
C[C@H](Nc1cccc(Cl)c1)c1cnc2ccsc2c1	85433050	VCWZKBVFBIYOOD-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1ccn(C(C)C)c1C	341887645	ZRBBCZRHCRNSRT-UHFFFAOYSA-N	298.430	5.062	0	20	CKAD	
c1cnc2c(CNc3cccc4ccsc34)cccc2c1	386238050	OEDVWBMRKYXUTB-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
CCC(CC)(CC)[S@@](=O)Cc1cccc2ccccc12	431196398	GDTPVGCDWOVILR-FQEVSTJZSA-N	288.456	5.057	0	20	CKAD	
CC[C@H](N[C@H](c1cccs1)C1CC1)c1ccsc1	453074200	OJCVWYVARGBSIJ-ZFWWWQNUSA-N	277.458	5.002	0	20	CKAD	
CC[C@@H](NCc1cc2c(C)cc(C)cc2[nH]1)c1cccs1	479530553	UGJOLGFXWNVGIR-MRXNPFEDSA-N	298.455	5.087	0	20	CKAD	
c1cncc([C@@H](Nc2ccc(C3CCC3)cc2)C2CCC2)c1	481998717	LREMEHRVFSMPOA-FQEVSTJZSA-N	292.426	5.302	0	20	CKAD	
c1ccc2c(c1)CCC[C@H]2SCc1nc2ccccc2o1	523225853	QQCITWDIRXBUIW-QGZVFWFLSA-N	295.407	5.139	0	20	CKAD	
Cc1c([C@@H](N[C@@H](C)c2ccoc2)C(C)C)oc2ccccc12	531715142	PABYLQNMURITPA-KSSFIOAISA-N	297.398	5.382	0	20	CKAD	
CCc1nc(C)c([C@@H](C)Nc2cccc3ccccc23)s1	539720423	SEQZYVXEVFZMJU-GFCCVEGCSA-N	296.439	5.340	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](CC1CC1)c1ccccc1	679046706	SRGANINVDXLLKS-WMLDXEAASA-N	285.456	5.249	0	20	CKAD	
Cc1cscc1NC(=S)Nc1ccc2ccccc2c1	747705189	IANRMGXYLMAMLR-UHFFFAOYSA-N	298.436	5.019	0	20	CKAD	
FC(F)(Cl)CCSC1CCC(C(F)(F)F)CC1	863344455	GOWWRESAANNSIL-UHFFFAOYSA-N	296.732	5.062	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccs1)c1ccc(C(F)(F)F)cc1	20148537	ARRCJTKMLZLDJG-QWRGUYRKSA-N	299.361	5.179	0	20	CKAD	
Cc1nc(-c2cccc(N[C@@H](C)c3cccs3)c2)oc1C	179614701	YGQFDLQCFVSFSY-LBPRGKRZSA-N	298.411	5.193	0	20	CKAD	
Cc1c([C@H](C)N[C@H](C)c2ccccc2F)oc2ccccc12	195656514	WRIJJGSLBCATMS-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2c(F)cccc2Cl)c(C)o1	380279602	BNKRMYGDWXWFDQ-GHMZBOCLSA-N	295.785	5.101	0	20	CKAD	
C[C@@H](CCc1ccccc1)Nc1cccc(C(F)F)c1	386188234	BFQCYRDZYCRDGC-ZDUSSCGKSA-N	275.342	5.057	0	20	CKAD	
CCC[C@H](NCc1ccc(SC)cc1)c1ccsc1	443078255	LICMRBHIRSPELY-INIZCTEOSA-N	291.485	5.101	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1cccs1)C(C)C	483114661	UPHNSJXOGQPEBM-RHSMWYFYSA-N	273.445	5.104	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2c(F)cccc2Cl)oc1C	502459087	ZNBIESMLKYDQOF-GHMZBOCLSA-N	295.785	5.101	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](CC2CC2)c2ccccc2)c(C)o1	683693419	YHUOGRAWFXBNCS-IFXJQAMLSA-N	283.415	5.088	0	20	CKAD	
C[C@H]1CSC(S[C@@H](C)c2cccc3ccccc23)=N1	766298892	NPFDYURZQFRHGC-RYUDHWBXSA-N	287.453	5.125	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)sc1C)c1cccs1	37122809	ROECNPYEVGCHAD-RISCZKNCSA-N	279.474	5.228	0	20	CKAD	
C[C@H](c1cccs1)N(C)C(=O)CCCC1CCCCC1	57833603	BSARAOYKEYBZDE-CQSZACIVSA-N	293.476	5.018	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)CCCC(F)(F)F)s1	426033592	CIPQSOJOPWWVFJ-GHMZBOCLSA-N	293.398	5.082	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccc(F)cc1	523386136	LTEMYNAJVNQIOP-DNVCBOLYSA-N	285.406	5.244	0	20	CKAD	
C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cccc2ccccc12	539066654	UFHFIDOUOKXLIG-UKRRQHHQSA-N	289.369	5.068	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2cc(C)sc2C)c1	539734304	JENFMGXPCQSYEQ-CHWSQXEVSA-N	289.444	5.245	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@@H](CC(C)C)c2ccccc2C)c1	560525234	KAFXEIIHYAUYNR-XLIONFOSSA-N	296.458	5.136	0	20	CKAD	
CC[C@H](C)c1ccc(C(=O)Nc2c(C)cccc2C)cc1	755092666	WWXQWYKFRBZTRK-ZDUSSCGKSA-N	281.399	5.069	0	20	CKAD	
C[C@@H](Sc1nc(C(F)(F)F)cs1)c1cccs1	770462234	BTYKGEAZSUPDPP-ZCFIWIBFSA-N	295.376	5.077	0	20	CKAD	
Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2ccccc12	6902516	MNYQIDALQRVEDV-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sccc21)c1cc2ccccc2o1	61327278	YXMRLXNEZYPCAP-DOMZBBRYSA-N	297.423	5.223	0	20	CKAD	
C[C@H](NCc1cccc(C(F)F)c1)c1ccc(Cl)cc1	131754886	YFUGGZHIEFQBLC-NSHDSACASA-N	295.760	5.128	0	20	CKAD	
Cc1ccc([C@@H](C)NC2(c3cccc(Cl)c3)CC2)s1	537448811	CZCKFUZOAJUBBV-GFCCVEGCSA-N	291.847	5.050	0	20	CKAD	
Cc1ccc(CNc2cccc(C(F)F)c2Cl)s1	541762851	MMLKANLOGYLIMN-UHFFFAOYSA-N	287.762	5.260	0	20	CKAD	
CCSc1ccc([C@H](C)NCc2ccsc2C)cc1	550123760	YSYALXRGHATTOD-LBPRGKRZSA-N	291.485	5.019	0	20	CKAD	
C/C=C/c1ccc(N[C@H](c2ccc(F)cn2)C(C)C)cc1	574228783	GCUMVVDSMLJKCJ-WRFKIARRSA-N	284.378	5.063	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccc(C(F)F)nc2)cc1	657940271	JRZKYDXWLIHPAH-GFCCVEGCSA-N	290.357	5.316	0	20	CKAD	
CCCc1ccc([C@@H](C)N[C@@H](CCC)c2ccccn2)cc1	675817116	RXCDYDRYOMPPIF-UZLBHIALSA-N	296.458	5.226	0	20	CKAD	
C[C@@H](Sc1nnc(-c2ccccc2)s1)c1ccccc1	729940120	LMTPDKQWSDKCLR-GFCCVEGCSA-N	298.436	5.058	0	20	CKAD	
Clc1ccc(CN[C@@H](c2cccs2)C2CCCC2)o1	37509401	FXCPDTAENSTLNT-OAHLLOKOSA-N	295.835	5.016	0	20	CKAD	
C[C@H](SCc1ncc(C(C)(C)C)o1)c1ccc(F)cc1	61021568	TUHUARKQXDCHLV-NSHDSACASA-N	293.407	5.106	0	20	CKAD	
COCc1cccc(N[C@@H](C)c2oc3ccccc3c2C)c1	315546739	LBAXLGMXHIMESJ-AWEZNQCLSA-N	295.382	5.061	0	20	CKAD	
CCc1cccnc1[C@H](C)Nc1csc2ccccc12	507477939	LVWMRITXGVUINZ-LBPRGKRZSA-N	282.412	5.032	0	20	CKAD	
CC(C)c1cccc(NC(=O)N(C)[C@H](C)c2ccccc2)c1	515382194	DPUNZSLGYBJDEG-OAHLLOKOSA-N	296.414	5.035	0	20	CKAD	
C[C@@H](N[C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccco1	531938002	ZEECZENRJJRDOF-CJNGLKHVSA-N	289.394	5.247	0	20	CKAD	
Cc1ccc(N[C@H](C)c2cccc(-c3ccncc3)c2)cc1	539609285	RBIRYDVDTRDGHU-MRXNPFEDSA-N	288.394	5.230	0	20	CKAD	
Fc1ccccc1CNc1cccc(C(F)F)c1Cl	541761351	WIEUTHVLOUYVGW-UHFFFAOYSA-N	285.696	5.029	0	20	CKAD	
CCOCCCS[C@@H](C)c1cccc2ccccc12	610315023	KQUFMJILCBZPHC-AWEZNQCLSA-N	274.429	5.061	0	20	CKAD	
CCCCCC[C@@H](CC)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	739629834	CJWKLWXHBVMVBG-MNEFBYGVSA-N	299.458	5.401	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1c(F)cccc1Cl	753471202	GDZYEELEIDLPJK-NSHDSACASA-N	285.790	5.024	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1Cl)c1c(F)cccc1F	21011786	KSWSMNNWUIRXRX-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
C[C@H](Nc1nc2ccccc2o1)c1cccc2ccccc12	29334040	GEJITVHOWBICQR-ZDUSSCGKSA-N	288.350	5.154	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)s1	36967521	AQQOTHRVOGYMTG-RHSMWYFYSA-N	273.445	5.104	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1	70091018	JQXGQROBRLPCGT-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2cccc(C3CCC3)c2)s1	462953117	WIESCQUDJVYVHY-LBPRGKRZSA-N	286.444	5.201	0	20	CKAD	
CC[C@H](NCc1cc2c(C)c(C)ccc2[nH]1)c1ccccc1	472072092	GQXSDNNTHFUKAS-IBGZPJMESA-N	292.426	5.026	0	20	CKAD	
Cc1oc(-c2ccccc2)nc1CSc1cccs1	517622395	HFHXHTFDNUMAKA-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CCCc1ccc([C@H](N[C@H](C)c2cccnc2)C(C)C)cc1	533547447	FZBLEIHVLYHIHQ-OXQOHEQNSA-N	296.458	5.082	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc(CC(F)(F)F)cc1	537451233	VUOVSRAXISNTQM-NSHDSACASA-N	299.361	5.334	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2cccc(F)c2F)s1	539047188	TYRGAMZNKONCPI-QWRGUYRKSA-N	295.398	5.001	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccs1)c1cccc(C2CC2)c1	563825107	GHBWOCXLMPFVRD-CHWSQXEVSA-N	271.429	5.037	0	20	CKAD	
Cc1nc([C@@H](C)Nc2cccc(C3CCC3)c2)c(C)s1	643322032	QFJXKPHLJJZDHE-LLVKDONJSA-N	286.444	5.201	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2csc3ccccc23)cc1C	730019124	GFPWVVVJTMUAEC-OAHLLOKOSA-N	295.451	5.369	0	20	CKAD	
CC[C@H](C)Oc1ccc(N[C@H](C)c2ccccc2)cc1	736347922	HOUWOBMCHXSPTL-LSDHHAIUSA-N	269.388	5.037	0	20	CKAD	
Cc1ccsc1CN[C@@H](C)c1cccc2ccccc12	21500256	PVLCKLHUCVSOFF-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc2ccccc2o1)c1cccs1	37070843	CPHGZLGVCVJJAC-JSGCOSHPSA-N	285.412	5.296	0	20	CKAD	
C[C@H](Sc1ccccc1)c1ccc(OC(F)F)cc1	63414847	JUXLGJSFCUANIL-NSHDSACASA-N	280.339	5.141	0	20	CKAD	
Cc1cc([C@H](C)NCc2cccc(Cl)c2F)c(C)s1	125085307	ODONWQNWNGGMGP-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2csc(C)c2)cc1	381327810	ANDDTTBIOBWGNG-STQMWFEESA-N	291.485	5.190	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H]2CCCCc3ccccc32)o1	552649427	ZUPAWDOBSMTPKU-CZUORRHYSA-N	287.428	5.245	0	20	CKAD	
C/C=C\c1ccc(NCc2cnc(-c3ccco3)s2)cc1	573997546	XNDJZLIBPJBHJS-RQOWECAXSA-N	296.395	5.048	0	20	CKAD	
C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](c2ccccc2)C2CCC2)o1	591697649	FAQIIDUKGCAXNG-WNYOCNMUSA-N	295.426	5.034	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccc(Cl)nc2)cc1	776792017	NRTLIOXAFAHBJB-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
CCOc1ccccc1N[C@H](C)c1ccc(F)c(Cl)c1	20562991	MBLZFYROACNATJ-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
c1ccc(CCC[C@@H](C2CCCCC2)N2CCCCC2)cc1	98178615	ZBVFVIKOIYRFKN-NRFANRHFSA-N	299.502	5.444	0	20	CKAD	
CC(C)(C)c1nc(CNc2cccc3ccccc23)cs1	122475799	WCDBOUUOYISTDN-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
CCC[C@H](N[C@H](CC)c1cccs1)c1ccsc1	443094464	PBBZAUGJCACCIK-KGLIPLIRSA-N	279.474	5.392	0	20	CKAD	
Cc1nc(COc2ccccc2-c2ccccc2)sc1C	447368103	WXVMLSXZYISOQD-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
CC(C)c1noc([C@H](C)Sc2ccc3ccccc3c2)n1	490259262	NFIIJSNSPZSOBZ-LBPRGKRZSA-N	298.411	5.200	0	20	CKAD	
CCC[C@H](N[C@@H]1C[C@@H](C)c2c(C)cccc21)c1ccccn1	678115235	WXJMDUAJVMUOPQ-AYOQOUSVSA-N	294.442	5.069	0	20	CKAD	
FC1(F)CC[C@H](CSC2=Nc3ccccc3CS2)C1	752934694	WGAJKVIEKKBBCG-JTQLQIEISA-N	299.411	5.090	0	20	CKAD	
CCC(CC)(CC)SCc1csc([C@@H](C)OC)n1	762971938	WVLOIZPTACCEOE-LLVKDONJSA-N	287.494	5.053	0	20	CKAD	
CCC(CC)(CC)S[C@H]1CCO[C@H](c2ccncc2)C1	863325801	GDJFZIGXQPECMS-HOTGVXAUSA-N	293.476	5.004	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1cccc(C(F)(F)F)c1	20148327	IPSTXTKMFGDLNB-WDEREUQCSA-N	299.361	5.179	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1	37070898	ORODHAIXWDVRNO-GJZGRUSLSA-N	279.383	5.153	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2c(F)cccc2F)c(C)s1	37122883	UMPHQNHRDMGHEX-GHMZBOCLSA-N	295.398	5.055	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sccc21)c1cccc(Cl)c1	61325016	LWBYZRTWTDEJRC-IAQYHMDHSA-N	291.847	5.130	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cnc3ccsc3c2)cc1	68691380	YCSINZFKELVVCK-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](c2ccccc2)c2ccco2)c1	124797600	LTFGBXCARMZSET-OXQOHEQNSA-N	291.394	5.028	0	20	CKAD	
CC[C@H](Nc1cccc([C@H](C)OC)c1)c1cccc(F)c1	446890767	PBVXBBLIPIPDBA-UGSOOPFHSA-N	287.378	5.096	0	20	CKAD	
C[C@@H](Sc1ccncc1)c1cccc2ccccc12	533447640	KJBIJPJBRUSPIQ-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
C[C@@H](NCc1coc2ccccc12)c1cccc(C2CC2)c1	559785141	MSCJHBHNFMKUNA-CQSZACIVSA-N	291.394	5.161	0	20	CKAD	
CCCc1ccc([C@H](C)N[C@@H](CCC)c2ccccn2)cc1	675817111	RXCDYDRYOMPPIF-JXFKEZNVSA-N	296.458	5.226	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccccc1	19878269	OUAQIABURQTBNA-QWHCGFSZSA-N	293.332	5.117	0	20	CKAD	
CC(C)C[C@H](NCc1cccc2cc[nH]c12)c1cccs1	236650050	QFYJHCXLPDHZAO-INIZCTEOSA-N	298.455	5.106	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2cccc3ccccc23)cs1	328559850	FEUYVNWLGIDBRD-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)c1ccco1)c1ccsc1	382192126	ZCHFPKXMYFKFRT-WMZOPIPTSA-N	297.423	5.171	0	20	CKAD	
Clc1sccc1NCc1cnc(C2CCCC2)s1	438370669	JZRJBHNJTPMQBO-UHFFFAOYSA-N	298.864	5.128	0	20	CKAD	
Cc1cc(NCc2cnc3ccccc3c2)ccc1C1CC1	479419572	QEXSSMXBEDMNEW-UHFFFAOYSA-N	288.394	5.033	0	20	CKAD	
O=C(C[C@@H]1C=CCCC1)Nc1ccccc1-c1ccccc1	487640798	YVNHJXOZNQWULZ-MRXNPFEDSA-N	291.394	5.039	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@@H](C)C(C)C)c(C(C)C)c1	497803701	HZVOUEHPFBDAOW-AWEZNQCLSA-N	275.436	5.164	0	20	CKAD	
O=C(C1CCCCCC1)N1CCCCC[C@H]1c1ccccc1	522377883	HHFLURYXDXUDSY-IBGZPJMESA-N	299.458	5.101	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2cc3ccccc3o2)c1	538635604	CNAUOWPRXZIETR-KGLIPLIRSA-N	295.382	5.313	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc(C(F)F)nc2)c(Cl)c1	657965278	UYCRBXQAOBHQIE-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
CCCCCCC(=O)Nc1cc(C(F)F)ccc1Cl	768937784	CZCCEUXNNNJQHT-UHFFFAOYSA-N	289.753	5.187	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)NCc1ccc2ccccc2c1	480164899	HAZHHBXBTVNFPR-ZDUSSCGKSA-N	295.348	5.051	0	20	CKAD	
CC[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc(C)c1	550894015	BSOBOBKZNHLVMA-AZUAARDMSA-N	295.426	5.062	0	20	CKAD	
CC[C@](C)(NCc1csc2ccccc12)c1ccccc1	730817704	RYMSKPPJJFABOX-IBGZPJMESA-N	295.451	5.316	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccc(F)cc1	37217382	LWSIXLBPKVWZLI-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
Cc1ccc(-c2ncco2)cc1N[C@@H](C)c1ccccc1C	535403140	SONDIHHVNUKWPT-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1F)c1cccc(C2CC2)c1	570990454	JRYLMYKMFNZOEY-ZIAGYGMSSA-N	283.390	5.115	0	20	CKAD	
CCCC(CCC)S[C@H]1CCO[C@H](c2cccnc2)C1	600521818	VQQUCLHDRFYECU-IRXDYDNUSA-N	293.476	5.004	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cc(C)c(C)cc1C)c1ccccn1	675816127	LMSRUBLTVZUUMY-PXNSSMCTSA-N	296.458	5.199	0	20	CKAD	
CC[C@H](Sc1ncnc2ccccc12)c1ccc(F)cc1	737396549	VTIMWXBYQBCXER-INIZCTEOSA-N	298.386	5.012	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@H](C)c1csc2ccccc12	772452854	AIBSKYSOHCDTBU-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@@H]2CCSc3ccccc32)c1	37103413	WHDPOWSVBJLLBT-MAUKXSAKSA-N	297.467	5.191	0	20	CKAD	
Cc1cccc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)c1	315487271	QNFMYUVZZLCANI-ZDUSSCGKSA-N	292.382	5.187	0	20	CKAD	
CC[C@@H](N[C@H](C)c1csc(C)c1)c1ccc(C)cc1	394445519	FENGUTUIHTXJJL-RHSMWYFYSA-N	273.445	5.167	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)NC(C)(C)C(C)(C)C	432495172	QSFWHTVRILXDHO-UHFFFAOYSA-N	290.451	5.065	0	20	CKAD	
CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1-c1cccs1	481323223	ORYIYZSKIPXDKG-KDOFPFPSSA-N	299.439	5.036	0	20	CKAD	
Cc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)s1	498094146	FWTLIXOHQNIXMZ-UHFFFAOYSA-N	299.439	5.036	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](c2ccc(C)cc2)C2CC2)c1	538634377	SCDDTGZBLJHWJQ-YWZLYKJASA-N	295.426	5.266	0	20	CKAD	
CC[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(C)c1	550894017	BSOBOBKZNHLVMA-QUCCMNQESA-N	295.426	5.062	0	20	CKAD	
CC[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376063	DCDHLVYIWJXVCQ-UXHICEINSA-N	297.417	5.408	0	20	CKAD	
c1cncc([C@@H](Nc2ccc3ccccc3c2)C2CCC2)c1	795812317	RNGYWSCSINOXIZ-FQEVSTJZSA-N	288.394	5.188	0	20	CKAD	
Cc1ccc(NCc2c(Cl)ccc3cccnc23)c(C)c1	863995663	AXSZNQOUJOTSHS-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc3ccccc3n2)c(C)s1	42373646	XLASPZJCVHRXTA-GFCCVEGCSA-N	282.412	5.086	0	20	CKAD	
Cc1ccc(CNCc2cc(-c3ccccc3)cs2)s1	48400326	UOGLVBITBKOJCM-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2sccc2C(C)C)cc1	48877040	WSANSNMAUQSBSK-UHFFFAOYSA-N	287.428	5.247	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2ccccc2s1)c1cccs1	121973460	ZKUFWGVHJYIFIB-RYUDHWBXSA-N	287.453	5.375	0	20	CKAD	
Cc1cccc(CN[C@H](C)c2cccc(Cl)c2Cl)c1	227530116	DAIFCTBGLMEORM-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(F)cc1F)c1ccsc1	443093230	YAWRUWIZDBWSNW-BZNIZROVSA-N	295.398	5.218	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(OC(C)(C)C)cc1)c1ccccc1	462805338	DSICSEMSRRUMBS-HZPDHXFCSA-N	297.442	5.276	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@]1(C)CC	472670044	PXWJBLUHFRXQDB-APWZRJJASA-N	287.447	5.137	0	20	CKAD	
C[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1cccc(F)c1	538549722	KJBGJYXALLSUCE-NSHDSACASA-N	296.345	5.017	0	20	CKAD	
C[C@H](SCc1nc(C2CC2)cs1)c1cccc(F)c1	542224532	DLSHPBHSJHNNKE-JTQLQIEISA-N	293.432	5.154	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc3c(cnn3C(C)C)c2)s1	679147008	BYFGCSHBEMPASJ-CYBMUJFWSA-N	299.443	5.160	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C[C@@H](C)C1CC1	920436040	QWNPTYNRFPVZPR-CQSZACIVSA-N	293.410	5.037	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)ccc1C)c1cccs1	37103365	UKYFUIUOYURKMN-ZBFHGGJFSA-N	273.445	5.167	0	20	CKAD	
c1ccc(-c2[nH]c3cnccc3c2C2CCCCC2)cc1	59027082	LMWQPXQPLBCEOC-UHFFFAOYSA-N	276.383	5.278	0	20	CKAD	
Cc1cc(C)cc(NCc2csc(C3CCCC3)n2)c1	444416939	BKKFZTMPGBHXJR-UHFFFAOYSA-N	286.444	5.030	0	20	CKAD	
CCC[C@@H](Nc1csc2ccccc12)c1ccccn1	495403377	VBIFUOCXDPTDIN-OAHLLOKOSA-N	282.412	5.250	0	20	CKAD	
Cc1cc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)c(C)o1	512396715	SHCHGMVJWXZGMN-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccc(F)cc1	550996026	OOPRERLTRASYBE-UONOGXRCSA-N	283.390	5.115	0	20	CKAD	
CC[C@@H](NCc1cc2ccccc2[nH]1)c1cccc(Cl)c1	673627721	SKGUAZRCYJEXPH-QGZVFWFLSA-N	298.817	5.062	0	20	CKAD	
CO[C@@H](C)c1cccc(NCc2ccccc2C(C)C)c1	864027879	LXAAKDMZAHJYCQ-HNNXBMFYSA-N	283.415	5.130	0	20	CKAD	
C[C@H](Nc1ccccc1C(F)(F)F)c1ccccc1F	21061743	IZPMCYVRFPSQQE-JTQLQIEISA-N	283.268	5.018	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](c2cccs2)C2CC2)cc1	42329896	MNNNYYAGDUNZHZ-ACJLOTCBSA-N	285.456	5.112	0	20	CKAD	
Cc1ncc(CSc2ccc(-c3ccccc3)cc2)s1	195651712	XFENLXZXUCFVTK-UHFFFAOYSA-N	297.448	5.411	0	20	CKAD	
Cc1ccc([C@@H]2CCCCN2C(=O)CCC2CCCC2)cc1	303940288	XEJGZDHLPVXZKZ-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
C[C@H](SCc1cccc(F)c1)c1ncc(C(C)(C)C)o1	443197162	KMOPDXGHYQJNFG-NSHDSACASA-N	293.407	5.106	0	20	CKAD	
CC(C)C[C@H](NCc1cccc(C(C)C)c1)c1ccccn1	480667795	LRQPQRTZESMECH-FQEVSTJZSA-N	296.458	5.082	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)oc1C	502405184	ISKFKQWEHZGDMX-NSHDSACASA-N	296.370	5.088	0	20	CKAD	
Cc1occc1S[C@@H](C)c1ncc(-c2ccccc2)o1	508133468	GWEPHKFZSLCWTF-LBPRGKRZSA-N	285.368	5.096	0	20	CKAD	
C/C=C/c1ccc(NCc2ncc(-c3cccs3)o2)cc1	561851785	PNMDRMRINVBQCP-DUXPYHPUSA-N	296.395	5.048	0	20	CKAD	
CC(C)(C)Sc1ccc(NC(=O)C=C2CCCC2)cc1	726756535	DMTKQQFAQZMJKS-UHFFFAOYSA-N	289.444	5.016	0	20	CKAD	
C/C(=C\C(C)(C)C)C(=O)Nc1ccccc1-c1cccs1	772011594	WMPAUXVZAKFYCW-OUKQBFOZSA-N	299.439	5.346	0	20	CKAD	
C[C@@H](SCCCCOC(C)(C)C)c1cccs1	788812097	ISYWSJMAIWDNCC-GFCCVEGCSA-N	272.479	5.138	0	20	CKAD	
CC[C@@H](Sc1ccc(Cl)nn1)c1ccc(Cl)cc1	64368296	HHHNYYMFPJGOKV-LLVKDONJSA-N	299.226	5.027	0	20	CKAD	
CCc1cccc(C)c1NC(=O)CCCC1CCCCC1	72105569	WMXBJQTZEMOJEF-UHFFFAOYSA-N	287.447	5.247	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1cccs1	121973980	ZKUFWGVHJYIFIB-NWDGAFQWSA-N	287.453	5.375	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C(C)C)c1ccsc1	382138018	QAWCSOOMQSIRCU-DLBZAZTESA-N	273.445	5.186	0	20	CKAD	
Cc1cc2cc[nH]c2cc1NC(=O)[C@H](C)CC1CCCCC1	444447110	HQFVJESNRJRVCZ-CQSZACIVSA-N	298.430	5.021	0	20	CKAD	
Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(Cl)s1	498484688	OTLUGJRSOCLQRW-FZMZJTMJSA-N	291.847	5.048	0	20	CKAD	
O=C1CCCC[C@@H]1SC(c1ccccc1)c1ccccc1	502535589	KBVPHESYAPPQSW-SFHVURJKSA-N	296.435	5.021	0	20	CKAD	
C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccc2ccccc2c1	540156740	JVVQJMCLPAMARC-SUMWQHHRSA-N	289.369	5.068	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccccc1	559876087	CMFCOZLYJDRFMQ-KRWDZBQOSA-N	289.369	5.039	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C1CCC2(CC1)CC2	611920006	VGIYONKKDGYGAJ-UHFFFAOYSA-N	285.431	5.027	0	20	CKAD	
O=C(Nc1ccccc1C(F)(F)F)C1CCCCCCC1	741507290	KKKFFVCNXOYHRI-UHFFFAOYSA-N	299.336	5.004	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1cc2ccccc2o1	42330561	WXIFJWPHKCZQBF-SGTLLEGYSA-N	297.423	5.296	0	20	CKAD	
CC[C@@H](N[C@H](C)c1sccc1C)c1ccc(Cl)s1	483128003	OXKFYFANUOGABG-GHMZBOCLSA-N	299.892	5.573	0	20	CKAD	
CC(C)CC[C@H](NCc1ccco1)c1ccc(Cl)cc1	513092425	MPDLMIJYRZWWMP-KRWDZBQOSA-N	291.822	5.200	0	20	CKAD	
CC1(C)CCC[C@@H](CC(=O)N2[C@H]3CC[C@H]2c2ccccc23)C1	530308121	JNESFIZRANOPHU-WBAXXEDZSA-N	297.442	5.011	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2csc3ccccc23)c(C)o1	774172983	SPFMDHRKUDQDBB-STQMWFEESA-N	299.439	5.523	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)CCC(C)C	914733859	VJNJFTYWJYGZJC-UHFFFAOYSA-N	281.399	5.037	0	20	CKAD	
c1ccc([C@@H](NCc2cccs2)C2CCCCC2)cc1	21815662	HCDOLRUCXFQFOG-GOSISDBHSA-N	285.456	5.159	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccccc2C(F)(F)F)o1	36960024	XMYBKBRAUPNNOC-NEPJUHHUSA-N	297.320	5.019	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1ccc(Cl)s1	42330135	WFTNEUVHYLNKBT-LKFCYVNXSA-N	297.876	5.265	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1ccc(Cl)s1	163285899	AVPGURZRSRQCCU-IUCAKERBSA-N	299.789	5.173	0	20	CKAD	
CC(C)(C)[C@@H](NCc1cccc2[nH]ccc12)c1ccccc1	236656727	GUYDJSJJZSIKEU-IBGZPJMESA-N	292.426	5.045	0	20	CKAD	
CCc1ccc(NC(=O)Nc2c(C)cccc2C(C)C)cc1	244157981	UXASUCPZDXPJEQ-UHFFFAOYSA-N	296.414	5.325	0	20	CKAD	
Cc1cccc(C(C)C)c1NCc1ncc(C(C)(C)C)o1	443526174	GKHVIOGFLLWORP-UHFFFAOYSA-N	286.419	5.016	0	20	CKAD	
CC(C)CCCC(=O)Nc1cc(C(F)F)ccc1Cl	450211537	QEJJMPMXPRPYAG-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)C1	472668517	GSPWRFJLMPPQCQ-HOCLYGCPSA-N	287.447	5.137	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@@H](c2cccs2)C2CC2)c1	480272516	CYZDXWMMFONYOQ-RDTXWAMCSA-N	285.456	5.167	0	20	CKAD	
CCc1cccnc1[C@@H](C)N[C@@H](c1ccccc1)C(C)(C)C	507521389	XRVNPORAJSDVNU-BEFAXECRSA-N	296.458	5.082	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1ccoc1)c1cccs1	536860183	VUHVWDILYXYESP-LRDDRELGSA-N	277.433	5.169	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc3sccc3c2)s1	581518291	VHGJXNFAQWMUFN-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
COc1ccccc1N[C@H](C)c1ccc(Cl)c(Cl)c1	20564275	NGDYYOQQOVYXRV-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2)s1	49158684	JZHNNWCWXVDPGT-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
CC(C)(C)[C@H](NCc1cc2ccccc2o1)c1ccccc1	106123862	RBFLXKOOEXEDQA-LJQANCHMSA-N	293.410	5.310	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)c1	315487270	QNFMYUVZZLCANI-CYBMUJFWSA-N	292.382	5.187	0	20	CKAD	
CC[C@@H](N[C@H]1CCc2c(Cl)cccc21)c1cccs1	537938513	CFRPFRCTMIDIGR-CABCVRRESA-N	291.847	5.130	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H]2CCc3c(C)cccc32)c(C)s1	539080408	UWUMKQRYXXQBFY-SCLBCKFNSA-N	285.456	5.011	0	20	CKAD	
C[C@H](Nc1cccc2c1ccn2C)c1cccc(Cl)c1	588909355	MCFFRXSTEUKWEJ-LBPRGKRZSA-N	284.790	5.005	0	20	CKAD	
CSc1cccc(NCc2ccc(F)c3ccccc23)c1	630061547	XPXYJLMJFBWNMH-UHFFFAOYSA-N	297.398	5.313	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc2c(cnn2C(C)C)c1	679147605	JYYOSNBSJFZHNA-CYBMUJFWSA-N	299.443	5.160	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1	20552471	DHZJYNTZCXOWGJ-HUUCEWRRSA-N	279.383	5.153	0	20	CKAD	
C[C@@H](Nc1ccc(SC(F)F)cc1)c1cccs1	36919543	FRMQNDUZJHMBKK-SECBINFHSA-N	285.384	5.236	0	20	CKAD	
C[C@H](Nc1cccc(-c2nccs2)c1)c1cccs1	37778299	ZNRYBUHIJYFDSM-NSHDSACASA-N	286.425	5.045	0	20	CKAD	
C[C@H](Nc1ccc(SC(F)F)cc1)c1ccsc1	50340605	BEJSIELSAPDSEY-VIFPVBQESA-N	285.384	5.236	0	20	CKAD	
C[C@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1F	435931707	YZOMPAPECRCYTR-JTQLQIEISA-N	297.295	5.250	0	20	CKAD	
FC(F)c1cccc(N[C@@H]2CCCc3occc32)c1Cl	447593896	VQMCSSNFESIESZ-LLVKDONJSA-N	297.732	5.360	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@H](C)C(C)C	472671289	PHHMVRZOIZEMCC-HNNXBMFYSA-N	289.463	5.383	0	20	CKAD	
CC[C@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C	479656929	HEPDEFJBGDKHQV-AWEZNQCLSA-N	275.436	5.308	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccsc1	482460533	QBJXTPGLDIKYII-SJKOYZFVSA-N	289.419	5.079	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H]1CCc2ccc(C)cc21	503930401	RRYOUTDKSXFCRR-KDOFPFPSSA-N	297.467	5.055	0	20	CKAD	
Cc1sc([C@@H](O)c2ccccc2)c(C)c1-c1ccccc1	514284627	CDARINMICOIKAV-SFHVURJKSA-N	294.419	5.114	0	20	CKAD	
c1ccc(-c2csc(-c3nc4cnccc4s3)c2)cc1	614441111	FCZQZOJOFRLEIV-UHFFFAOYSA-N	294.404	5.087	0	20	CKAD	
CC(C)c1cnc(CS[C@@H](C)c2cc(F)ccc2F)o1	754249112	CPNPXFGJVJOPEZ-JTQLQIEISA-N	297.370	5.071	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2csc3ccccc23)oc1C	800478147	XUZPPKLMZUXVNX-QWHCGFSZSA-N	299.439	5.523	0	20	CKAD	
Cc1cc(CN[C@H](C)c2ccco2)ccc1-c1ccccc1	427856866	OVCYUMWQMHUOJY-MRXNPFEDSA-N	291.394	5.106	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	451293997	IOWKOPHNXURIFX-RYRKJORJSA-N	299.458	5.137	0	20	CKAD	
Cc1cccc(NC(=O)Nc2ccc3occ(C)c3c2)c1C	482568295	XHNKERKSLAGXNC-UHFFFAOYSA-N	294.354	5.002	0	20	CKAD	
CSc1ccc(CNc2cccc(SC)c2C)s1	562071728	OTKKIYYLVSOQQP-UHFFFAOYSA-N	295.498	5.112	0	20	CKAD	
Cc1csc(-c2cccc(NCc3ccccc3C)c2)n1	588165876	MHXULBURWXHUNT-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC(C)c1ccc([C@H](C)Sc2ccc(Cl)nn2)cc1	783895488	JLVXQMCEPUUIMX-NSHDSACASA-N	292.835	5.107	0	20	CKAD	
C[C@H](Nc1cc(Cl)cc2cccnc12)c1ccsc1	50340577	FDVHDDQFFRRLNU-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
Cc1cccc(C)c1NC(=O)C[C@H](c1ccccc1)C(C)C	96651072	RMZVFBBXELEYMA-SFHVURJKSA-N	295.426	5.072	0	20	CKAD	
CCC[C@@H](NCc1ccc(Cl)s1)c1ccsc1	443101245	KVKNJKYFDSARGI-GFCCVEGCSA-N	285.865	5.094	0	20	CKAD	
CC[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1ccsc1	453255408	PZCJOGNVGQCGOP-NEPJUHHUSA-N	297.876	5.191	0	20	CKAD	
Cc1ccc(CNc2cccc(CSC(C)C)c2C)o1	462761191	JFEZKFIIGAMRMQ-UHFFFAOYSA-N	289.444	5.150	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H](C)c2cccc(Cl)c2F)o1	478668012	BTWLKYIOWVSIRE-VHSXEESVSA-N	299.798	5.331	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@@H](CC(C)(C)C)c2ccccc2)c1	552224529	YHUYLXLEAZYFGX-APWZRJJASA-N	296.458	5.218	0	20	CKAD	
C[C@H](Nc1nccc2occc12)c1csc2ccccc12	742404031	MJWNDSDZTBLLGD-NSHDSACASA-N	294.379	5.216	0	20	CKAD	
Cc1cc(CNc2cccc(CCC(F)(F)F)c2)c(C)o1	767373082	MZBODGDZXKZFFG-UHFFFAOYSA-N	297.320	5.003	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(F)c(F)c1	21012860	OGLMHJYDAORKLE-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1ccco1	37128587	NTDFJDDFURFPLA-HOCLYGCPSA-N	271.404	5.108	0	20	CKAD	
Cc1ccc([C@H](C)NCc2cccc(Cl)c2Cl)cc1	37770183	YVEYHALAEOBLHR-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccsc1	50341582	YADRSWMXOKXKHR-CJNGLKHVSA-N	273.445	5.186	0	20	CKAD	
C[C@@H]1C[C@@H](N[C@H](C)c2cc3ccccc3o2)c2ccccc21	319455000	KJXNSXZRXPKABF-HBUWYVDXSA-N	291.394	5.332	0	20	CKAD	
C[C@H](CCCC(F)(F)F)Nc1cccc(C(C)(F)F)c1	437037876	JUMPLTYKTOMEOG-SNVBAGLBSA-N	295.295	5.331	0	20	CKAD	
CCC(CC)[C@H](NCc1ccc(Cl)o1)c1ccccc1	37509348	DYTAQCWPXBMPGN-KRWDZBQOSA-N	291.822	5.200	0	20	CKAD	
CC[C@H](N[C@@H](c1cccs1)C1CC1)c1ccc(C)cc1	42330362	LHZJRQUAOGHNSM-FUHWJXTLSA-N	285.456	5.249	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2cnc3ccsc3c2)c1C	68690477	FQTAHMNLLHMNKQ-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
CCc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1	139332159	JIACGKHTOYFUFC-UHFFFAOYSA-N	296.414	5.191	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H](C)c2ccc(F)cc2)oc2ccccc12	195615575	BHIJMZNFKUOMFL-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1ccc2ccccc2c1	386232813	MTXVYDNILSSIIF-ZDUSSCGKSA-N	297.348	5.951	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](CC(F)F)c2ccccc2)s1	421877354	LQRFGVYHYLCIAE-JSGCOSHPSA-N	295.398	5.104	0	20	CKAD	
CC(C)Sc1ccc(CSCc2nccs2)cc1	511918492	FLMWUXXPOIBEKQ-UHFFFAOYSA-N	295.498	5.077	0	20	CKAD	
Cc1cccc(CN[C@@H](C)c2oc3ccccc3c2C)c1C	513098131	BNKIPOLXFBBZKD-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
C[C@@H](S[C@H](C)c1ccc(Cl)cc1)c1ccncc1	609484130	SVOLXUDRBSSKIN-VXGBXAGGSA-N	277.820	5.290	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C1CC1)c1cccc(F)c1	166491476	ZCUITDRVGKOOHL-OALUTQOASA-N	283.390	5.018	0	20	CKAD	
C[C@H](Sc1nc2ccccc2s1)c1ccc(C#N)cc1	303687561	KVWXLMHSYOSCFV-NSHDSACASA-N	296.420	5.021	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@@H](c2cccs2)C2CC2)c1	480272513	CYZDXWMMFONYOQ-KBXCAEBGSA-N	285.456	5.167	0	20	CKAD	
C[C@@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccco1	484492727	BDEBJLSZZYXQEQ-FZKQIMNGSA-N	287.378	5.001	0	20	CKAD	
Cc1cccc(Oc2ccccc2NC(=O)[C@@H](C)C(C)C)c1	497530952	BQTBKWAOKWJWAL-HNNXBMFYSA-N	297.398	5.018	0	20	CKAD	
CCCc1ccc([C@H](C)N[C@@H](C)c2ccncc2CC)cc1	539215247	KGIBOAKZGMZZEK-HOTGVXAUSA-N	296.458	5.008	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc2ccncc2s1)c1ccccc1	657860686	CFNBIVNJHJXKCE-CZUORRHYSA-N	296.439	5.098	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1cccs1	37070844	CPHGZLGVCVJJAC-GXTWGEPZSA-N	285.412	5.296	0	20	CKAD	
CCCc1ccc([C@H](C)N[C@H](C)c2ccsc2)cc1	61360724	KGFHKJOBUVKBBD-UONOGXRCSA-N	273.445	5.112	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H]2CCc3ccc(C)cc32)cc1	98005614	RDWMYVJAEZWWQT-KUHUBIRLSA-N	297.467	5.055	0	20	CKAD	
CCCCCCc1ccc(-c2ccc3ccccc3n2)cc1	142425072	IBHQERJRFBRAAK-UHFFFAOYSA-N	289.422	6.025	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H]1CCc2c(C)cccc21	442862252	OGGVXSKZRHERJN-KSSFIOAISA-N	297.467	5.055	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@H](C)c2ccc(Cl)s2)c1C	477951998	YAGFFRGCJRZMQU-NXEZZACHSA-N	297.855	5.051	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2ccc(CC(F)(F)F)cc2)o1	538552513	REWBMTHYWHZJCU-LLVKDONJSA-N	297.320	5.120	0	20	CKAD	
COCCCCCS[C@H](C)c1ccc(F)c(Cl)c1	609740347	QDDRVKIQJXEHQP-LLVKDONJSA-N	290.831	5.090	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccccn1	645405592	YQYHLJLXKHNEDV-FOIQADDNSA-N	294.442	5.151	0	20	CKAD	
Cc1nc([C@H](C)Nc2ccc(C(C)C)cc2)c(C)s1	19995029	XUUZKJFNXZJTQU-NSHDSACASA-N	274.433	5.056	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1	35019056	IVONNIQJBMREKA-ZDUSSCGKSA-N	265.331	5.152	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1	237567057	NOKCBJJMTVPVCI-JTQLQIEISA-N	298.213	5.054	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)Nc1cccc(C(C)(F)F)c1	437037874	JUMPLTYKTOMEOG-JTQLQIEISA-N	295.295	5.331	0	20	CKAD	
Fc1ccc([C@H](Sc2ccncc2)c2ccccc2)cc1	448111764	OVMRGLUFAWPOKF-GOSISDBHSA-N	295.382	5.102	0	20	CKAD	
Cc1ncc(CS[C@@H](C)c2cccc3ccccc23)s1	520992571	DGWFPRKPBFWEKJ-LBPRGKRZSA-N	299.464	5.599	0	20	CKAD	
CCSc1ccccc1[C@H](C)NC1CCC(F)(F)CC1	540148092	HDAKPLYPLPDIKM-LBPRGKRZSA-N	299.430	5.027	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H]2CCCC[C@H]2C)c(Cl)c1	620326501	DRLUIBDQTWNFHQ-TZMCWYRMSA-N	293.838	5.112	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1cc2ccncc2s1	631736438	KTNHVJNAUOAHMB-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2ccsc2)cc1F	669850805	KQXYOBVHGLKLQV-MNOVXSKESA-N	295.448	5.021	0	20	CKAD	
FC(F)c1cccc(NC/C(Cl)=C\Cl)c1Cl	309609916	ZEFPFTPMPPOXDY-GQCTYLIASA-N	286.536	5.009	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCCCC1)c1cccnc1	314167999	KWDWIOIXKLNERV-OXJNMPFZSA-N	294.442	5.054	0	20	CKAD	
CC[C@H](NCc1cccc(OC(C)C)c1)c1ccc(C)cc1	314918659	MYGSOSPWGANSNC-FQEVSTJZSA-N	297.442	5.023	0	20	CKAD	
CCC[C@H](N[C@H](CC)c1ccsc1)c1ccccc1	394351568	NLZVBNNHKHVZPU-SJORKVTESA-N	273.445	5.330	0	20	CKAD	
Cc1ccc(CNc2ccc(CC(F)(F)F)cc2)cc1C	462730155	VHBRTUVDGGRXJA-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1C(C)C	475614118	UVJAVZJWABVQFG-SJORKVTESA-N	287.447	5.164	0	20	CKAD	
CCN(C(=O)Nc1ccc(C(C)C)cc1C(C)C)C(C)C	509575921	RSLMCLOOGRKSTN-UHFFFAOYSA-N	290.451	5.196	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc3ccncc3s2)cc1	657846830	SWDCJPALQJPKGW-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(COC(C)(C)C)cc2)o1	679062277	FAJLGGCMXDIUJK-AWEZNQCLSA-N	287.403	5.076	0	20	CKAD	
Clc1sccc1CN[C@H](CC1CC1)c1ccccc1	682942985	UCTKMWHLBHBRFU-OAHLLOKOSA-N	291.847	5.033	0	20	CKAD	
C[C@@H](SCc1ccn(C2CCCC2)n1)c1cccs1	763263083	RAIMPWRXUDBFLW-GFCCVEGCSA-N	292.473	5.054	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CC(C)(C)Cc3occc32)s1	765305806	RCSVYVCMGBYVIJ-OCCSQVGLSA-N	289.444	5.014	0	20	CKAD	
CC(C)c1ccc([C@H](C)N[C@@H](c2ccccn2)C(C)C)cc1	766083562	XZJSSKQNLOGOOF-OXJNMPFZSA-N	296.458	5.253	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1	19991726	GUQOHVPOHGBFSD-KGLIPLIRSA-N	273.807	5.060	0	20	CKAD	
FC(F)Sc1ccc(NCc2ccc(Cl)cc2)cc1	35038231	KAJIJXISRHSGSN-UHFFFAOYSA-N	299.773	5.267	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)cc1	37075108	YMRRXIULWHLXJP-FZKQIMNGSA-N	285.818	5.142	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)C)cc1)c1ccccc1	45040111	BZKPTSRBSDBZHB-LJQANCHMSA-N	267.416	5.051	0	20	CKAD	
C/C=C/C=C/C(=O)Nc1ccc(C(C)C)cc1C(C)C	48462070	BKXUZLHLRGFKCD-BLHCBFLLSA-N	271.404	5.004	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cccc3ccccc23)c1	317253196	PEXBGBPPOUWWAM-DLBZAZTESA-N	289.422	5.560	0	20	CKAD	
Cc1ccc(F)c(CN[C@@H](C)c2cccc3ccccc23)c1	318357751	FTFUYZYBYVRSKE-HNNXBMFYSA-N	293.385	5.138	0	20	CKAD	
CC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1cccs1	479493690	AHTMIZMYMVNSMP-CVEARBPZSA-N	289.419	5.006	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccsc1)c1ccc(F)cc1F	484498416	KFKYUDVTNDUOGR-MEDUHNTESA-N	295.398	5.074	0	20	CKAD	
c1ccc(-c2ccc(SCc3ccncc3)cc2)cc1	515487664	PGYPJNUGNSRARQ-UHFFFAOYSA-N	277.392	5.041	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)c1C	538501825	HDQCDZZVHKSTCP-HZPDHXFCSA-N	293.410	5.461	0	20	CKAD	
CCC[C@H](Nc1csc2ccccc12)c1cccnc1	543599515	YBKNVMMXXPNGPD-HNNXBMFYSA-N	282.412	5.250	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H]2CCc3ccc(Cl)cc32)o1	544084542	GLQHFEGMZVXCPE-QMTHXVAHSA-N	293.819	5.118	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1cc(F)ccc1Cl	741919762	OKUPGVJHFQAPEW-NSHDSACASA-N	285.790	5.024	0	20	CKAD	
c1ccc2cc(NCc3nc4ccccc4s3)ccc2c1	16313210	VXHCXAYHTSMADI-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2ccc(F)cc2F)s1	41203642	UMHBBAVQNHHNPJ-MNOVXSKESA-N	295.398	5.001	0	20	CKAD	
c1ccc(CCCC2CCN(C3CCCCC3)CC2)cc1	68208474	WXSAKZMNLYJPOC-UHFFFAOYSA-N	285.475	5.054	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)Nc1cccc(C)c1C	243758103	QADZKKHNWKZYON-UHFFFAOYSA-N	296.414	5.072	0	20	CKAD	
Fc1cc(C(F)(F)F)ccc1SCc1ccccc1	299805611	XECFHLBLUOUSIH-UHFFFAOYSA-N	286.293	5.137	0	20	CKAD	
Cc1ccccc1C(=O)Nc1ccc(SC(C)(C)C)cc1	303108253	FMDAQDRCYALOIS-UHFFFAOYSA-N	299.439	5.138	0	20	CKAD	
Cc1cc(NCc2cnc(C3CCC3)s2)ccc1C1CC1	358988986	MRKPTYRNNQWBEC-UHFFFAOYSA-N	298.455	5.209	0	20	CKAD	
CCC[C@H](N[C@@H](CC)c1ccsc1)c1ccccc1	394351567	NLZVBNNHKHVZPU-IRXDYDNUSA-N	273.445	5.330	0	20	CKAD	
c1cc2ccc(NCc3csc(C4CCCC4)n3)cc2o1	442859609	QOEZDDPTQMUXOW-UHFFFAOYSA-N	298.411	5.159	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)cn1)c1ccc(F)c(F)c1	554188939	YDQCWGGLNSTIPW-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)s1	37075172	NOMPXUXFPPXTSH-BDJLRTHQSA-N	291.847	5.203	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1nccs1	80257820	NJWUZACUDNKTNJ-XJKSGUPXSA-N	288.460	5.068	0	20	CKAD	
CC(C)(C)[C@H](NCc1cccc2cc[nH]c12)c1ccccc1	236718369	ILTTUWZRITVJCE-LJQANCHMSA-N	292.426	5.045	0	20	CKAD	
Cc1sc([C@@H]2CCCO2)nc1-c1ccc(C(C)C)cc1	441366721	VHDUAPQTLFVUJL-HNNXBMFYSA-N	287.428	5.093	0	20	CKAD	
CC(C)c1ccccc1NC(=O)Nc1ccc2ccoc2c1	443161930	NRPNBCFTPZGFBM-UHFFFAOYSA-N	294.354	5.200	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(Cl)c1F)c1cccs1	481031869	BFTVLNKRWVEGAB-GXFFZTMASA-N	297.826	5.343	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@H](CC)c2ccccc2)cc1	495432540	JECNRCOTHCCNDK-DNVCBOLYSA-N	299.483	5.601	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1sccc1C	503894305	RXIJWJWRYKEEHX-OLZOCXBDSA-N	291.485	5.190	0	20	CKAD	
Cc1cscc1N[C@H](C)c1ccc(-c2ccncc2)cc1	539651201	JYNLYZQCVGCMFM-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
Cc1cccc([C@H]2CCCN2C(=O)CCC2CCCCC2)c1	615172875	GYTYATNJBCIYEB-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccccn1	645405603	YQYHLJLXKHNEDV-YWZLYKJASA-N	294.442	5.151	0	20	CKAD	
C[C@@H](SCc1cnc2ccccc2c1)c1cccs1	798368576	WSJNBZZAGMCWIF-GFCCVEGCSA-N	285.437	5.291	0	20	CKAD	
CCC(CC)(CC)S[C@H]1CCO[C@@H](c2ccncc2)C1	863325803	GDJFZIGXQPECMS-JKSUJKDBSA-N	293.476	5.004	0	20	CKAD	
C[C@@H](Sc1nc(-c2ccccc2)cs1)c1cccnc1	918715063	ZUQCQPSBXGWCLY-GFCCVEGCSA-N	298.436	5.058	0	20	CKAD	
COc1ccccc1N[C@H](C)c1cccc2ccccc12	21502188	XERJJUCDHOWUQU-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc(C)sc2C)c(C)s1	37122804	ADGPBICKDNFXSL-TXEJJXNPSA-N	293.501	5.455	0	20	CKAD	
FC(F)c1cccc(CN2CCC[C@@H]2c2cccs2)c1	470723334	OVRJCXKOYKVDGZ-CQSZACIVSA-N	293.382	5.023	0	20	CKAD	
c1cnc2c(CNc3ccc(C4CCC4)cc3)cccc2c1	487146537	AVCLGIQSYMUHHL-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
Fc1ccccc1-c1ccc(CNc2ccccc2)s1	513582416	NLNWYXPSHMJHIB-UHFFFAOYSA-N	283.371	5.166	0	20	CKAD	
Cc1cocc1C(=O)Nc1c(C(C)C)cccc1C(C)C	528115876	QHZUJDODMPQVBI-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
CCCC(CCC)[S@@](=O)Cc1cccc2ccccc12	609366408	CVFBLHUKBTXFLS-FQEVSTJZSA-N	288.456	5.057	0	20	CKAD	
CC(C)c1cnc(CS[C@@H](C)c2ccc(F)cc2F)o1	754250530	XVUSWYBVKGGPBX-JTQLQIEISA-N	297.370	5.071	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H]2CCc3cc(Cl)ccc32)o1	795381125	GFWLBQSPPGUJBH-HZMBPMFUSA-N	293.819	5.118	0	20	CKAD	
Cc1cccc(N[C@H](C)c2cnc3ccsc3c2)c1C	68690478	FQTAHMNLLHMNKQ-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
Cc1ncc([C@H](C)N[C@@H](C)c2cccc3ccccc23)s1	90399646	KBDVKCXUKFUMFK-STQMWFEESA-N	296.439	5.017	0	20	CKAD	
Cc1ccoc1CN[C@@H](C)c1ccc(-c2ccccc2)s1	426350452	XTZFCRYXEQIHGU-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
Cc1cc2cc[nH]c2cc1NC(=O)C1(CC(C)C)CCCC1	444450544	RTHMDHAPLVJVEG-UHFFFAOYSA-N	298.430	5.021	0	20	CKAD	
CC(C)N(Cc1cccc(C(F)F)c1)Cc1cccs1	470723453	OERZXZAUMVPNNU-UHFFFAOYSA-N	295.398	5.096	0	20	CKAD	
CC(C)(C)[C@@H](NCCC(F)(F)F)c1cc2ccccc2o1	498787877	LJPWLFFQLVAPRT-AWEZNQCLSA-N	299.336	5.062	0	20	CKAD	
CC(C)C[C@H](N[C@H](C)c1ccccc1)c1cccs1	536873813	AQHQFAWKTUMURG-ZBFHGGJFSA-N	273.445	5.186	0	20	CKAD	
CCC[C@@H](Nc1cccc(O[C@@H](C)CC)c1)c1ccccn1	556218450	UQCNEKPUMMSUBM-HNAYVOBHSA-N	298.430	5.212	0	20	CKAD	
Cc1cc(CN[C@H](C)c2csc3ccccc23)ccc1F	730020089	WQLAGWYQOXBTME-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
C[C@@H](c1cccs1)N(C/C=C/Cl)Cc1ccccc1	746657496	FWQUFJLYCMJEFI-XYYIANASSA-N	291.847	5.064	0	20	CKAD	
C[C@H](NC(c1ccccc1)c1ccccc1)c1cccs1	20094687	CJLLIZBOTXUNES-HNNXBMFYSA-N	293.435	5.188	0	20	CKAD	
Cc1cc(OC(=O)OC(C)(C)C)c(C(C)C)cc1Cl	78573862	SIKDZFXAYMKFRP-UHFFFAOYSA-N	284.783	5.086	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sc(Cl)cc21)c1ccccc1	127175491	GBXFXTGXVYWHLU-SMDDNHRTSA-N	291.847	5.130	0	20	CKAD	
COc1ccsc1[C@H](C)Nc1ccccc1C(C)(F)F	453302287	YOVZQGRKCOMQCL-JTQLQIEISA-N	297.370	5.042	0	20	CKAD	
CCCCC(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1	477889478	QVONWQGWGWILFH-UHFFFAOYSA-N	291.778	5.037	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccc(Cl)s1	498485793	VHINIGDNFTUXMK-FZMZJTMJSA-N	291.847	5.048	0	20	CKAD	
CCc1cccnc1[C@H](C)N[C@H](c1ccccc1)C(C)(C)C	507521391	XRVNPORAJSDVNU-HNAYVOBHSA-N	296.458	5.082	0	20	CKAD	
Cc1ccc(C)c(CN[C@@H](C)c2oc3ccccc3c2C)c1	513098192	CHVLLLOTVDVPAH-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
C[C@H](SCC1CCOCC1)c1cccc2ccccc12	522972274	YVWQRTATPQHZDU-AWEZNQCLSA-N	286.440	5.061	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCc3c(Cl)cccc32)s1	537945264	HFJGFLBNVYADLI-IAQYHMDHSA-N	291.847	5.048	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)s1)c1cc(F)ccc1F	539080581	VJLJSNOFGJTKKS-NHYWBVRUSA-N	295.398	5.137	0	20	CKAD	
CC[C@@H](CC(=O)Nc1c(C)cccc1C(C)C)C(C)C	591666861	ZRXZPTVETQGMDQ-HNNXBMFYSA-N	275.436	5.129	0	20	CKAD	
CC/C(C)=C\C(=O)Nc1c(C(C)C)cccc1C(C)C	822672612	DHSUOPYFVFRQHO-KAMYIIQDSA-N	273.420	5.228	0	20	CKAD	
CSc1ccc([C@@H](C)NCc2cc3ccccc3o2)cc1	35256544	MPAPXDYFJLUYQC-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
Cc1nc([C@H](C)N[C@@H](C)c2cccc3ccccc23)cs1	36915344	IYHIFTFVVLRKEX-STQMWFEESA-N	296.439	5.017	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cccs1)c1ccc(C)cc1	37048050	VODRVINPHOYNCL-HZPDHXFCSA-N	273.445	5.249	0	20	CKAD	
Cc1c([C@@H](C)N[C@H](C)c2cccc(F)c2)oc2ccccc12	195615944	BZJGUTBACSKZOC-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1	313560706	UBUIHCFFMGHDQY-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CCC[C@H](NCc1ccc(OC(C)C)cc1)c1ccccc1	315548484	WUYVLGFIDPMNGY-FQEVSTJZSA-N	297.442	5.105	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1ccc(Cl)cn1	453297789	SBEIKEGWXVQWIJ-JTQLQIEISA-N	296.748	5.020	0	20	CKAD	
CCC(C)(C)CC(=O)Nc1ccccc1-c1ccccc1	465060942	UUHNOEVTLXNOSS-UHFFFAOYSA-N	281.399	5.118	0	20	CKAD	
C/C=C\c1ccc(Oc2nc3ccccc3s2)c(OC)c1	497722379	BQBNIYGHJMYRHO-UTCJRWHESA-N	297.379	5.130	0	20	CKAD	
CC(C)c1ccc(C(=O)Nc2cccc(C(F)F)c2)s1	546165690	CSAJUIZTXGKSOP-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
C[C@@H](Sc1cccc2cccnc12)c1ccccc1F	613962364	MTIWRBUNEBBAJG-GFCCVEGCSA-N	283.371	5.227	0	20	CKAD	
CCCC[C@@H](CCC)N[C@H](C)c1ccc(C(F)F)nc1	657900973	OPZOGPYJQJNNAP-TZMCWYRMSA-N	284.394	5.029	0	20	CKAD	
C[C@@H](SCCSC(C)(C)C)c1nc2ccccc2o1	783555711	RZJDLSIOGBQUMF-LLVKDONJSA-N	295.473	5.154	0	20	CKAD	
CCC(CC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	5917612	GPGUOVBJVUSBMR-UHFFFAOYSA-N	294.609	5.022	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1cccc(C(F)(F)F)c1	19878399	NGSBENZSHFLIAH-OLZOCXBDSA-N	293.332	5.117	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(Cl)cc1	61324947	LLRPMOXQMSZKOP-IAQYHMDHSA-N	291.847	5.130	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H](C)c1csc(Cl)c1	426021305	ZBCYPIVDTBSJJS-RKDXNWHRSA-N	299.789	5.173	0	20	CKAD	
Cc1cccc([C@H](C)S[C@@H](C)c2nc(C(C)C)no2)c1	437271646	WDMBCQRJMBNMEH-STQMWFEESA-N	290.432	5.057	0	20	CKAD	
CC[C@H](N[C@H](CC1CCC1)c1ccccc1)c1ccncc1	453195297	JIQBQCCBYQTPGC-VQTJNVASSA-N	294.442	5.054	0	20	CKAD	
CSCc1ccc(N[C@H](C)c2cc(F)ccc2F)cc1	537531844	XHPQITVTJJLUIM-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1cscn1)c1cccs1	537966741	CJUVTGHTSLNVEV-ABAIWWIYSA-N	294.489	5.033	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1F	134645260	ZZKYWOFCTWANKI-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cccs1)c1cccc(F)c1	166551233	ZFBPQSPIOWTNLM-GJZGRUSLSA-N	277.408	5.079	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1cccs1	386259880	VDHYDTVGIMIAEB-JTQLQIEISA-N	259.399	5.136	0	20	CKAD	
Cc1cc2cc([C@@H](C)NCCCC(F)(F)F)oc2cc1C	483862230	RMSQRTOAOSDFEZ-GFCCVEGCSA-N	299.336	5.043	0	20	CKAD	
C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1cccc(F)c1	608376191	MUBYLAUYMWAZAS-LIRRHRJNSA-N	283.390	5.018	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1ccnc(Cl)c1	812737311	OADKQWNCTOSEQN-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
CSc1cccc(NCc2cccc(C(F)(F)F)c2)c1	21036298	HYSORTXIVFPEJM-UHFFFAOYSA-N	297.345	5.039	0	20	CKAD	
CC(C)C[C@@H](N[C@H](C)c1cccs1)c1ccccc1	21516376	NEFMAHAOWCEUSH-GDBMZVCRSA-N	273.445	5.186	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2ccc(C)s2)s1	49162082	NSKQBTNCUUOTMO-NEPJUHHUSA-N	279.474	5.092	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2sccc2C)c(C)s1	70091287	MJEOCMMMNPZNLN-RYUDHWBXSA-N	279.474	5.147	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccco1	482549367	AXLCFYDLUBJOHZ-PXAZEXFGSA-N	289.806	5.125	0	20	CKAD	
Cc1ccc(CN(C(=O)CCCC(C)(C)C)C(C)C)s1	504278534	DKETUOHYWOVBMQ-UHFFFAOYSA-N	295.492	5.010	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@@H](C)c2ccccc2)cc1	531960313	OUUYCJFZOKFLII-GJZGRUSLSA-N	285.456	5.210	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC2(CC2)C1	611920182	ZTSPXCBXSONWGY-HNNXBMFYSA-N	285.431	5.027	0	20	CKAD	
CC[C@@H](NCc1ccc(Cl)cc1)c1cccc(Cl)c1	19232426	CJAXJABTSGKJGO-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
CC[C@@H](Nc1ccc(OC)c(Cl)c1)c1ccc(F)cc1	20020623	LJUSTASLQFEKLY-OAHLLOKOSA-N	293.769	5.051	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1	21030555	FREHKEOEXWAXDY-ZIAGYGMSSA-N	273.807	5.060	0	20	CKAD	
CSc1ccc([C@@H](C)NCc2ccccc2C2CC2)cc1	94357651	WBCAPJDVUXACGF-CQSZACIVSA-N	297.467	5.137	0	20	CKAD	
C[C@H](SCc1ccccn1)c1ccc(Cl)c(Cl)c1	463201307	LFGDREBXEXZWLR-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CCC	472676573	WDQIVYLICNOKEX-HNNXBMFYSA-N	289.463	5.527	0	20	CKAD	
COc1ccccc1S[C@@H](C)c1ccc(Cl)cc1	520695570	XAEYANRIMHFKEM-NSHDSACASA-N	278.804	5.202	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1ccsc1)C(C)C	532500036	XVWOTULRJUWONP-WMLDXEAASA-N	273.445	5.104	0	20	CKAD	
C[C@@H](NCc1cc2ccccc2o1)c1cccc(C2CC2)c1	556061592	ZELXLONIJHWMOA-CQSZACIVSA-N	291.394	5.161	0	20	CKAD	
Cc1cc(CS[C@H](C)c2ccc3ccccc3c2)on1	604050147	QKBAWUFPHJGZOE-CYBMUJFWSA-N	283.396	5.131	0	20	CKAD	
c1ccc([C@H](CC2CCCCC2)NCc2ccoc2)cc1	733331748	GRCXGDFWAPOKCZ-IBGZPJMESA-N	283.415	5.081	0	20	CKAD	
CCCCCC[C@@H](C)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	739632701	NBGQCMKBMINIBI-MNEFBYGVSA-N	299.458	5.401	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1ccc(Cl)s1	766131764	FLFJQVLIIRDVPS-UHFFFAOYSA-N	294.851	5.224	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccncc1)c1cccc2ccccc12	886790629	ILHAQALNRUPGFF-MGPUTAFESA-N	290.410	5.037	0	20	CKAD	
CCCc1ccccc1NC(=O)c1cc2ccccc2s1	32052020	LAUMHXBWOYIMTM-UHFFFAOYSA-N	295.407	5.106	0	20	CKAD	
Cc1nc(CS[C@H](C)c2ccc(Cl)cc2)cs1	109370111	XKFZSBITXYRPOH-SECBINFHSA-N	283.849	5.099	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1F)c1cc2ccccc2s1	126638992	WBQCUTHDBHRKJP-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
CCc1cccc(C)c1NC(=O)CC[C@H](C)c1ccccc1	441289555	SQPXMMMTSIZHHA-HNNXBMFYSA-N	295.426	5.080	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1ccc2sccc2c1	471096807	YCYPQTMVXLBTOV-UHFFFAOYSA-N	295.407	5.277	0	20	CKAD	
CCCCCN(C(=O)Nc1cccc(C)c1Cl)C(C)C	524723441	VFIDZHBUROOOBQ-UHFFFAOYSA-N	296.842	5.081	0	20	CKAD	
Cc1nc2c(s1)[C@H](Nc1ccc(C(C)C)cc1)CCC2	537408400	AEDOZEUCPWUYFN-MRXNPFEDSA-N	286.444	5.064	0	20	CKAD	
C[C@@H](Nc1cccc(F)c1)c1ccc(-c2ccncc2)cc1	537408786	MJABXPUBEROWAW-CQSZACIVSA-N	292.357	5.061	0	20	CKAD	
c1ccc(C(SCc2ccccn2)c2ccccc2)cc1	603451584	BZWMRVYXTSINSU-UHFFFAOYSA-N	291.419	5.104	0	20	CKAD	
CC(C)(C)OCCCSCc1ccc(C(F)F)cc1	613100767	JQBBZRDVBDNFDY-UHFFFAOYSA-N	288.403	5.063	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccccc1F)c1cccs1	620760564	JAIPBOXGYIXBSP-QGZVFWFLSA-N	291.435	5.154	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1csc2ccccc12)c1ccccc1	732918629	QLXPVFZOPUDKCF-KBXCAEBGSA-N	295.451	5.703	0	20	CKAD	
C[C@H](SCc1ccnc(Cl)c1)c1ccc(F)c(F)c1	747846536	OLCLCGUYTYCUJO-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CN(C(=O)c1ccc2ccccc2c1)C1CCCCCCC1	748642482	DTZLBJIZWDDSMI-UHFFFAOYSA-N	295.426	5.025	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)c1	315254824	WHQTYZFZRYTKIE-DLBZAZTESA-N	297.442	5.194	0	20	CKAD	
CCC(CC)(CC)[S@@](=O)[C@@H](C)c1cccc(Cl)c1	431173217	PAYFMXOJHNXYBA-SGTLLEGYSA-N	286.868	5.119	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccsc1)c1ccc(F)cc1F	484498414	KFKYUDVTNDUOGR-BZNIZROVSA-N	295.398	5.074	0	20	CKAD	
C[C@H](N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccoc1	531704508	CNKAWWOYWORNHA-SJCJKPOMSA-N	289.806	5.125	0	20	CKAD	
Clc1ccc(CNc2cccc3cc[nH]c23)cc1Cl	547505905	NVZGJFQMNVEENS-UHFFFAOYSA-N	291.181	5.087	0	20	CKAD	
CC[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc(C)c1	550894016	BSOBOBKZNHLVMA-ICSRJNTNSA-N	295.426	5.062	0	20	CKAD	
Cc1cccc([C@H](C)SC2=Nc3ccccc3C2)c1	742453720	INNLTOWJSFIHAF-ZDUSSCGKSA-N	267.397	5.076	0	20	CKAD	
CCC[C@@H](Nc1ccc2ccccc2c1)c1cccnc1	756794741	AVWCRUFRAGKJMG-LJQANCHMSA-N	276.383	5.188	0	20	CKAD	
CC(C)C(C)(C)S[C@@H](C)c1nnc(-c2cccs2)o1	762988207	GBXWVHQPVVLRCQ-JTQLQIEISA-N	296.461	5.027	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cscn1)c1cccc2ccccc12	886790644	IZFYHBBGIGLGKC-GUYCJALGSA-N	296.439	5.098	0	20	CKAD	
Cc1ccc(-c2nc(C3CCCC3)no2)c(Cl)c1Cl	904353946	XVGWBATVCAZRKN-UHFFFAOYSA-N	297.185	5.009	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@H](C)c2ccc(C)s2)c1	37103444	KXYKVNGGJKYAJI-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
Clc1cc(CSc2ccc3ccccc3c2)ccn1	50165546	NQOFVTOJESSYJS-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
CC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1cccc(F)c1	446890765	PBVXBBLIPIPDBA-FZKQIMNGSA-N	287.378	5.096	0	20	CKAD	
Cc1ccccc1S[C@@H](C)c1ncc(-c2ccccc2)o1	522856044	AULGMVSHDWUVQQ-AWEZNQCLSA-N	295.407	5.503	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2ccc3c(c2)COC3)c1	537408999	XFPUHAWLOQOHFU-AWEZNQCLSA-N	281.399	5.013	0	20	CKAD	
COCc1cccc(N[C@H](CCC(C)C)c2ccoc2)c1	560546424	SCKBDRLIYXCBKX-GOSISDBHSA-N	287.403	5.015	0	20	CKAD	
CCCCCC[C@H](C)C(=O)N(Cc1cccs1)C(C)C	741900055	RSNILUVLYIFPQO-HNNXBMFYSA-N	295.492	5.092	0	20	CKAD	
CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1c1cccs1	775641692	ASBSSWFEIIMYJA-LSDHHAIUSA-N	293.476	5.018	0	20	CKAD	
C[C@@H](Sc1nccn1C1CC1)c1cccc2ccccc12	920070904	LDBULMSGIBOACV-CYBMUJFWSA-N	294.423	5.225	0	20	CKAD	
CC[C@H](N[C@H]1CCCc2sccc21)c1ccccc1F	127308541	UHEZYRUUKSUDGL-HOTGVXAUSA-N	289.419	5.006	0	20	CKAD	
Cc1ccc(SCc2cc(-c3cccs3)on2)cc1	302733929	CGSWTPCYHPYRJP-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CC(=O)c1c(C)cc(C)c(CNc2cc(C)ccc2C)c1C	302812629	PWIGUZFPADBEAX-UHFFFAOYSA-N	295.426	5.043	0	20	CKAD	
CCO[C@@H](C)c1nc(CSCCC2CCCC2)cs1	437280803	MGQNWLRHMSLSIS-LBPRGKRZSA-N	299.505	5.054	0	20	CKAD	
CCc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1	439554146	TUNVGCKLYIJHDO-AWEZNQCLSA-N	292.382	5.077	0	20	CKAD	
FC(F)c1cccc(N[C@H]2CCCc3occc32)c1Cl	447593897	VQMCSSNFESIESZ-NSHDSACASA-N	297.732	5.360	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@H](c2ncccc2C)C(C)C)c1	532501151	NGEAMODRRGBLPJ-HKUYNNGSSA-N	296.458	5.055	0	20	CKAD	
CCC[C@@H](Nc1cccc(O[C@@H](C)CC)c1)c1cccnc1	551240347	KCGAZAFEFIHVCV-HNAYVOBHSA-N	298.430	5.212	0	20	CKAD	
CCCCCC[C@H](CCCC)Cc1ccsc1	1857522992	ZNXNQYMWOKHZSX-HNNXBMFYSA-N	252.467	6.067	0	20	CKAD	
Cc1cc(C)c([C@@H](C)N[C@H](C)c2ccsc2)cc1C	61360903	IAPPHBQKONOBMP-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H]1CCc2sc(Cl)cc21	129483744	MBOXAODQWSUTCS-BXUZGUMPSA-N	291.847	5.048	0	20	CKAD	
Cc1ccsc1CN[C@H](C)c1cc2ccccc2s1	169182202	ZEVVCWLCZHYPIX-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1ccccc1	315926703	UVVJIWVBZLCJFX-QUCCMNQESA-N	291.394	5.110	0	20	CKAD	
Cc1ccc(F)c(CN[C@H](C)c2cccc3ccccc23)c1	318357753	FTFUYZYBYVRSKE-OAHLLOKOSA-N	293.385	5.138	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1cc(C)c(C)o1)C1CC1	502708851	LYIYNKMBSPNZGL-KUHUBIRLSA-N	283.415	5.007	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(C(C)(F)F)cc2)s1	551241714	VSTKDWGEGUOHJY-GFCCVEGCSA-N	295.398	5.019	0	20	CKAD	
C[C@H](SCC1CCOCC1)c1ccc2ccccc2c1	609900394	ARBNSAOITBVNTE-AWEZNQCLSA-N	286.440	5.061	0	20	CKAD	
C[C@@H](Nc1ccc(C(=O)C(C)(C)C)cc1)c1ccccc1F	630060836	BAPPNNSXDYPGNY-CYBMUJFWSA-N	299.389	5.228	0	20	CKAD	
CSc1ccccc1NCc1ccc(F)c2ccccc12	630063645	QKGLQUSFKQKNAC-UHFFFAOYSA-N	297.398	5.313	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](CC2CC2)c2ccccc2)s1	679046480	IVHPJSTYNGRRFX-WMLDXEAASA-N	285.456	5.249	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H]1CCc2sc(Cl)cc21	129484374	MBOXAODQWSUTCS-FZMZJTMJSA-N	291.847	5.048	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)o1)c1ccc(Cl)s1	158180442	KPVUPODVDAJRJI-QWRGUYRKSA-N	283.824	5.105	0	20	CKAD	
CCC[C@@H](NCc1cc(C)cs1)c1ccc(Cl)cc1	379269659	LLZNOBSTKIGTFC-MRXNPFEDSA-N	293.863	5.341	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc(C(C)C)c2)cs1	381649505	YJTIVRZNWPKUJG-ZDUSSCGKSA-N	259.418	5.353	0	20	CKAD	
C/C=C/c1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1	487984486	OLIQMZHTXFZKNM-KTRBRXNASA-N	284.403	5.178	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cc(C)sc1C	536831324	HCRFLTHQISDMTH-ACJLOTCBSA-N	285.456	5.011	0	20	CKAD	
Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@H](C)c1ccco1	538641433	XCHPDVRHPSJKCK-JKSUJKDBSA-N	298.430	5.140	0	20	CKAD	
CCC(CC)N(CC)C(=O)Nc1c(C)cccc1C(C)C	572640329	HRGGEMRKWMKUKY-UHFFFAOYSA-N	290.451	5.161	0	20	CKAD	
Cc1nc(C)c(CS[C@@H]2CCCc3ccccc32)s1	610218160	YKIQLSYQGJIJFT-OAHLLOKOSA-N	289.469	5.071	0	20	CKAD	
CC(C)c1ccsc1C(=O)N1CC[C@H](C)c2ccccc21	620590599	ILUGUXOULVWNSS-ZDUSSCGKSA-N	299.439	5.026	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc(C)sc2C)cc1	37122993	FMYGZWOUTFCBQQ-ZIAGYGMSSA-N	273.445	5.085	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H]2CCCc3sccc32)c(C)s1	61327612	QNCLSLGUQKGJGJ-XHDPSFHLSA-N	291.485	5.155	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccc1SC)c1ccccc1	409837826	SVLWQDLUXXLMOG-PBHICJAKSA-N	285.456	5.210	0	20	CKAD	
CC[C@H](Nc1cccc(C(F)F)c1Cl)c1ccncc1	453199267	XIZPQEFJLPBHIV-LBPRGKRZSA-N	296.748	5.236	0	20	CKAD	
CC(C)c1cccc(NCc2cnc(-c3ccco3)s2)c1	486958367	PAAQTDQWSSYJTL-UHFFFAOYSA-N	298.411	5.139	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](c2cccnc2)C2CCC2)cc1	516885663	PMSBOMDZDRWGSI-QDVBSOPMSA-N	278.399	5.068	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)CCC2CC2)c(C)c1	524503455	QLRVCTQAOSJBME-ZDUSSCGKSA-N	291.460	5.014	0	20	CKAD	
C[C@@H](SCc1nccs1)c1cccc2ccccc12	532618419	DKBFSLXKWQIFOH-GFCCVEGCSA-N	285.437	5.291	0	20	CKAD	
C/C=C/c1ccc(N[C@H](CCC)c2ccccn2)cc1	562060369	XFOMYBLEDBTZHC-NTSMAEHXSA-N	266.388	5.068	0	20	CKAD	
C[C@H](Nc1nccc2sccc12)c1cc2ccccc2o1	613378067	VMFCTOXNCYZHDG-NSHDSACASA-N	294.379	5.216	0	20	CKAD	
C[C@H](Nc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1	21012031	SADLVNOEVBXBKF-JTQLQIEISA-N	297.732	5.115	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCCc3sc(Cl)cc32)o1	127653202	JATPNAUFPAOFQW-ZYHUDNBSSA-N	295.835	5.031	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@@H](C)c1cc2ccccc2s1	271612895	XEEQOUZKPNTSKG-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](CC(F)F)c2ccccc2)cs1	421884260	UGWZCKAFOUYFLL-IUODEOHRSA-N	295.398	5.104	0	20	CKAD	
CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1-c1cccs1	502553080	GIYDHIPOAPPNRV-OLZOCXBDSA-N	287.428	5.036	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2cccc(C)c2C)c1	540833006	NUVLCCGBDFVECV-JKSUJKDBSA-N	283.415	5.184	0	20	CKAD	
CCCN(CCC(F)(F)F)[C@@H](C)c1cc2ccccc2o1	607151088	URJWKWQIOJLUOA-LBPRGKRZSA-N	299.336	5.158	0	20	CKAD	
Cc1ccc(C)c(NC(=S)Nc2ccccc2C(C)C)c1	6965507	IWBGYQYNJGWGBG-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)oc1C)c1ccc(C)cc1	37048240	XTPZIIWAGNXXMB-RDTXWAMCSA-N	271.404	5.007	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc2ccccc2o1)c1cccs1	37070846	CPHGZLGVCVJJAC-TZMCWYRMSA-N	285.412	5.296	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2cc(C)sc2C)c1	37315043	IKHCNAPDMVQKDM-KBPBESRZSA-N	273.445	5.085	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2sccc2C)cc1	70090750	YAQORCWMRPPFCO-STQMWFEESA-N	291.485	5.190	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2nc3ccccc3s2)c1	157219067	WHSOPRQPIITVLB-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)F)cc1)c1ccc(F)cc1	184927318	VJWAVYORFMHWSE-INIZCTEOSA-N	293.332	5.004	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)cs1	381681629	DFDFLNBUDCOZHL-DYVFJYSZSA-N	291.435	5.244	0	20	CKAD	
CSc1ccc([C@@H](C)NCc2ccc3occc3c2)cc1	512370170	MFECVKBWPFGBKP-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
Cc1cc(C)cc(NCc2csc(-c3ccccc3)n2)c1	512954858	KMZOTSWUSQUYAX-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1coc(-c2ccc(C)c(N[C@H](C)c3ccccc3)c2)n1	532095195	BTACZEVSVNDVFR-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
Clc1cccc(CNc2cccc3cc[nH]c23)c1Cl	548474331	NVWRBJDNZGDVBB-UHFFFAOYSA-N	291.181	5.087	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C1CC(C(C)(C)C)C1	622410717	OGOQNCRJJAEARX-UHFFFAOYSA-N	287.447	5.129	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1ccc(C(C)(F)F)cc1	645478985	JEPGZUWLXFBWJV-LBPRGKRZSA-N	295.398	5.019	0	20	CKAD	
C[C@@H]1CC[C@H](N[C@H](C)c2ccsc2)c2sccc21	651343739	RDNAPGUQQNTQPO-GYSYKLTISA-N	277.458	5.099	0	20	CKAD	
COCc1ccc(N[C@@H](c2ccc(C)o2)C2CCCC2)cc1	774486512	SQQNICWOIHHTRC-LJQANCHMSA-N	299.414	5.078	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc3ccccc3c2)c(C)n1	776783931	ZVSNQXKUTMKHGP-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
Cc1cc([C@H](C)NCc2cc(C)c(C)cc2C)c(C)s1	35252932	BUXUBOURIBPVJT-HNNXBMFYSA-N	287.472	5.141	0	20	CKAD	
Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1ccc(F)cc1	37210709	NBCKTABGZMDBRD-JTQLQIEISA-N	292.423	5.061	0	20	CKAD	
C[C@@H](N[C@H](C)c1c(F)cccc1F)c1cccc(Cl)c1	96698300	MVBQEBXMLPRIOY-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](Nc1cccc(COC(C)C)c1)c1ccccc1	303480374	JBGLCBAOHCIWKV-IBGZPJMESA-N	283.415	5.175	0	20	CKAD	
CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccsc2)c2ccccc21	448030766	SOJPOZMKLPJXKM-MORSLUCNSA-N	285.456	5.283	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1cccnc1)c1ccccc1	531810950	ASDRBZFCMYUEIH-XJKSGUPXSA-N	257.402	5.027	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1cc2ccccc2s1	18115068	ZSTQFZGRRWXFFC-UHFFFAOYSA-N	295.407	5.277	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1cc2ccccc2o1	42330558	WXIFJWPHKCZQBF-KZULUSFZSA-N	297.423	5.296	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](CC)c2cccs2)s1	49529653	VSQRNMCLSGAQES-WCQYABFASA-N	279.474	5.174	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccsc1)c1cccs1	236683059	GMZRSUIWIYDQLD-OAHLLOKOSA-N	279.474	5.077	0	20	CKAD	
Clc1ccc([C@@H](NCc2ccsc2)C2CCC2)cc1	237788918	BLZHNQHMZCNLFH-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
Cc1ccc(-c2cnc(CSCc3ccccc3)o2)cc1	463036214	JIQNJYUZYAERTF-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CC(C)(C)CCCC(=O)Nc1cc(Cl)ccc1Cl	504382907	XTJGZYQRZMQCHH-UHFFFAOYSA-N	288.218	5.148	0	20	CKAD	
CCCc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1	516342027	VDVOYVZFNUBJGU-UHFFFAOYSA-N	295.426	5.016	0	20	CKAD	
CCC[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccsc1	525954938	PQEJGVUNVNNFEF-KCXAZCMYSA-N	289.444	5.096	0	20	CKAD	
Cc1ccccc1[C@H](C)Nc1cccc(COCC2CC2)c1	531677183	CNSKEQUURYBXIE-INIZCTEOSA-N	295.426	5.095	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H](C)c2cccc(Cl)c2)o1	538849429	CJSKVPRADUWECC-GHMZBOCLSA-N	281.808	5.192	0	20	CKAD	
Cc1ccncc1[C@@H](C)Nc1cccc(C(F)F)c1Cl	543597337	KXZGSYBYFALZMS-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
CCC/C=C\C(=O)Nc1ccc(C(C)C)cc1C(C)C	920458376	RBGCWVQBNGOQRI-HJWRWDBZSA-N	273.420	5.228	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1ccncc1)c1ccccc1	37217833	BDBOMNIQNMPZKG-LPHOPBHVSA-N	282.431	5.054	0	20	CKAD	
CC[C@H](C)CN(CC)C(=O)Nc1c(C)cccc1C(C)C	175079724	LZYVZAOLUIFDBB-AWEZNQCLSA-N	290.451	5.018	0	20	CKAD	
C[C@H](Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccco1	429434686	IDRAYWLSQIOORY-NSHDSACASA-N	297.320	5.293	0	20	CKAD	
Cc1ccccc1[C@@H]1CCCN1C(=O)CCCC1CCCC1	463271316	GGCDUVWTIBEUJI-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
C[C@@H](Sc1ccccc1)c1ncc(-c2ccccc2)o1	525434339	UQGFIOJAJJEENW-CYBMUJFWSA-N	281.380	5.195	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C)c2C)s1	531711904	QAXFHLNVKPYKHL-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
C[C@H](SCc1csc(C2CC2)n1)c1cccc(F)c1	533945381	OMWZZGUCNNJUDF-JTQLQIEISA-N	293.432	5.154	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H](C)c2cccc3ccccc23)o1	539950398	FTRVUYRQHYYDFU-ZIAGYGMSSA-N	297.423	5.692	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H](C)c2ccc(Cl)cc2)o1	539951254	UHTAPVDMOVQFLK-WDEREUQCSA-N	281.808	5.192	0	20	CKAD	
C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cc2ccccc2s1	583911269	WAFZUSIWRYQTFY-YPMHNXCESA-N	295.398	5.130	0	20	CKAD	
c1ccc(C(SCc2cccnc2)c2ccccc2)cc1	603477096	HHTRJEFBNUGSMA-UHFFFAOYSA-N	291.419	5.104	0	20	CKAD	
C[C@@H](SCc1ccc(F)c(F)c1)c1cccs1	737406440	PECGFOTYCBJOPR-SECBINFHSA-N	270.369	5.021	0	20	CKAD	
Cc1cc(C(F)F)oc1-c1nc(C2CCCCCC2)no1	904687482	FLVDTIXUSHTDDL-UHFFFAOYSA-N	296.317	5.013	0	20	CKAD	
CSc1ccc(CNc2cccc(C(C)(F)F)c2)cc1	436410208	LTCMFSCNPKTGLW-UHFFFAOYSA-N	293.382	5.132	0	20	CKAD	
CCC[C@H](C)CC(=O)Nc1ccccc1-c1cccs1	499287543	LJJWTXINSLIWCA-ZDUSSCGKSA-N	287.428	5.180	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@@H](C)c2ccc(CC(C)C)cc2)c1	514086495	BBLYBDYGXHGXTB-DLBZAZTESA-N	296.458	5.000	0	20	CKAD	
CCC(CC)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C	535612063	VOTVBGBJVCXHLW-CQSZACIVSA-N	275.436	5.129	0	20	CKAD	
CCC[C@@H](Nc1cccc(C(C)C)c1)c1cccnc1	543636883	RBNJLNMUJCMVRW-GOSISDBHSA-N	268.404	5.158	0	20	CKAD	
CCC[C@H](Nc1ccc2ccccc2c1)c1cccnc1	756794726	AVWCRUFRAGKJMG-IBGZPJMESA-N	276.383	5.188	0	20	CKAD	
Cc1ccc(NCc2ccc(C(F)F)cc2)c2cccnc12	388597411	JHLULKCNMGCARX-UHFFFAOYSA-N	298.336	5.093	0	20	CKAD	
CC[C@H](Nc1ccc(SC)cc1OC)c1cccs1	447558838	QFFHWGTZTQQPRB-LBPRGKRZSA-N	293.457	5.042	0	20	CKAD	
CC[C@@H](C)C(=O)Nc1ccc(Sc2ccccc2)cc1C	512860129	HCBXULDPEMQPCK-CYBMUJFWSA-N	299.439	5.131	0	20	CKAD	
Cc1ccccc1-c1cnc(CSC2CCCCC2)o1	534527361	HDAGHZPUPFMOEE-UHFFFAOYSA-N	287.428	5.216	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](c2ccc(C)cc2)C2CC2)c1	538634376	SCDDTGZBLJHWJQ-QRWLVFNGSA-N	295.426	5.266	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C)C1	540648777	DNMGZTLLWFMWMJ-CABCVRRESA-N	287.447	5.308	0	20	CKAD	
C[C@@H](N[C@H]1CCc2c(F)cccc21)c1cccc(C2CC2)c1	559743465	QPQGKZNWIOKTBI-XCLFUZPHSA-N	295.401	5.041	0	20	CKAD	
CC[C@H](NCc1cc2cc(C)ccc2o1)c1cccs1	561401766	JLTWVSFLKZRXSB-HNNXBMFYSA-N	285.412	5.044	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc2ccncc2s1)c1ccccc1	657860684	CFNBIVNJHJXKCE-BBRMVZONSA-N	296.439	5.098	0	20	CKAD	
CC[C@@H](NC1(c2ccc(F)cc2)CCC1)c1cccs1	679013708	MSAQTCGZZGZBCA-OAHLLOKOSA-N	289.419	5.007	0	20	CKAD	
CCC/C(C)=C\C(=O)N(CC1CCC1)[C@H](C)c1ccccc1	740807231	JUXJTTUVUUFHPR-YHKKIHSWSA-N	299.458	5.123	0	20	CKAD	
C/C=C/C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	752472286	CNOQUUSLOAXNLJ-RRFAQUSLSA-N	297.423	5.055	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccc(F)c(F)c1	36951951	GESJBCAEHDSODX-LBPRGKRZSA-N	283.321	5.291	0	20	CKAD	
Cc1ccc([C@H](N[C@H](C)c2ccc(C)s2)C2CC2)cc1	49160748	LGFGMBYVCRFYGE-KDOFPFPSSA-N	285.456	5.167	0	20	CKAD	
CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1cc2ccccc2o1	437098723	PEHKIAMNQZZJAI-DGCLKSJQSA-N	299.336	5.060	0	20	CKAD	
Cc1ccc([C@@H]2CCCN2C(=O)CCCC2CCCC2)cc1	463309654	PUFAFSZBBPOEPJ-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ccncc1	467866515	ULOLXCSZZKMLIM-DNVCBOLYSA-N	296.458	5.181	0	20	CKAD	
Clc1ccc2cccnc2c1CSc1cccs1	599114583	QKQJARDZHKBKFA-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
CC(C)N(C(=O)CCC(C)(C)C)c1ccc(F)cc1Cl	606189551	ADIYNXTWFRSGTD-UHFFFAOYSA-N	299.817	5.047	0	20	CKAD	
Clc1ccc([C@H](Nc2nc3ccccc3o2)C2CC2)cc1	613362825	WBYTWCYAZGAANI-MRXNPFEDSA-N	298.773	5.044	0	20	CKAD	
Cl/C(=C/c1cc(Cl)cs1)c1nc2ccccc2o1	782311134	AUKCEXNPUIFFTB-UXBLZVDNSA-N	296.178	5.280	0	20	CKAD	
CCC(CC)(CC)S[C@@H]1CCO[C@@H](c2cccnc2)C1	863326847	SZHYJUOLVMUNFH-HZPDHXFCSA-N	293.476	5.004	0	20	CKAD	
O=C(CCC1CCCC1)Nc1ccccc1-c1cccs1	14704880	UUTCKPPWBDHRAY-UHFFFAOYSA-N	299.439	5.324	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccccc1	19878401	NGSBENZSHFLIAH-STQMWFEESA-N	293.332	5.117	0	20	CKAD	
C[C@@H](Nc1ccc(SC(F)F)cc1)c1ccccc1	35019041	GWGGLLSKFOGVOO-LLVKDONJSA-N	279.355	5.174	0	20	CKAD	
CSc1ccc(N[C@H](C)c2ccc(Cl)s2)cc1	35285737	BYAZGMJDTUVGKJ-SECBINFHSA-N	283.849	5.297	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2cccc(Cl)c2)cc1F	134645313	RSHCUKXIMLIBGZ-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
CC[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1cccs1	311420500	KNYKACCRYDWRED-UHOFOFEASA-N	271.429	5.037	0	20	CKAD	
CCCC(CCC)[S@@](=O)[C@@H]1CCc2c(Cl)cccc21	443400235	VCTHHQJLRATRSW-VQIMIIECSA-N	298.879	5.045	0	20	CKAD	
CC(=O)Nc1ccc(Cl)cc1-c1cccc2ccccc12	469192875	INCAVXXIKGYAPC-UHFFFAOYSA-N	295.769	5.119	0	20	CKAD	
Cc1ccccc1[C@H](C)Nc1cccc(COC(C)C)c1	532441091	ITZUEJGKYNTUAC-INIZCTEOSA-N	283.415	5.093	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccc1F)c1ccc(Cl)s1	532499919	FOXRXGFSNSMJQR-GXFFZTMASA-N	297.826	5.343	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2C)C2CC2)s1	532511197	VAUQOAPHMASHCH-KDOFPFPSSA-N	285.456	5.167	0	20	CKAD	
Cc1cnc([C@H](C)Sc2ccc(-c3ccccc3)cc2)o1	539999624	UAKAPMMCGILMGU-AWEZNQCLSA-N	295.407	5.503	0	20	CKAD	
C/C=C/c1ccc(N[C@H]2CCCNc3ccccc32)cc1	554087055	UGPRDGKSXYWHMO-JYFUDLLOSA-N	278.399	5.079	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)c3ccccc23)o1	559736822	ULXQCEAFRULZOZ-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
C[C@@H](Nc1cccc(SC(F)F)c1)c1cccs1	690199693	QHSIPYAKMVDWOK-SECBINFHSA-N	285.384	5.236	0	20	CKAD	
C[C@@H](Nc1ccc(Nc2nccs2)cc1)c1ccccc1	725791852	ZEHJTEKPDLDMFG-CYBMUJFWSA-N	295.411	5.060	0	20	CKAD	
CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)C=C1CCCC1	732037179	JKIPVYASSLJUAT-IBGZPJMESA-N	299.458	5.123	0	20	CKAD	
C[C@H]1CC/C(=C/C(=O)Nc2ccccc2-c2cccs2)C1	753576751	GYMZVLJOUIQFSK-BSHRGCEOSA-N	297.423	5.100	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2ccc(F)cc2C)c1	815612181	GGFLREGXZQQCJM-UONOGXRCSA-N	287.378	5.015	0	20	CKAD	
c1ccc(-c2ccc3noc(-c4ccccc4)c3c2)cc1	34558400	OBVGIUFUQVYNEJ-UHFFFAOYSA-N	271.319	5.162	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccc1	37070911	XGRSFMWSVSBEHX-YOEHRIQHSA-N	279.383	5.235	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)CCc2ccccc2)s1	437288243	JEMUKKOYCVQWGC-LBPRGKRZSA-N	291.485	5.014	0	20	CKAD	
Cc1nc(-c2cccc(N[C@@H]3CCC34CCCC4)c2)oc1C	474059943	UEGDISIVGMCKFC-QGZVFWFLSA-N	296.414	5.093	0	20	CKAD	
CC(C)(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	497772419	FVJBVPZUEPKSQH-UHFFFAOYSA-N	294.609	5.022	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2oc3ccccc3c2C)ccc1F	518779269	LGESQGPMAXLGAL-AWEZNQCLSA-N	297.373	5.040	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cc2ccccc2o1	539044421	LRCUMMJYWVNDMQ-RDTXWAMCSA-N	291.394	5.079	0	20	CKAD	
C[C@@H](SCc1c(Cl)cccc1Cl)c1cccnc1	604508374	GZCPVQYQGNZNHF-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2c(F)cccc2F)s1	41631791	IQJACLFYCNVNNY-GHMZBOCLSA-N	295.398	5.001	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1cccs1	482440779	RPGLGNZIKSZQKR-AEFFLSMTSA-N	285.456	5.330	0	20	CKAD	
CC[C@@H](CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1	504453037	JVQDJWRXPAJHPI-KRWDZBQOSA-N	295.426	5.134	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc(CC(F)(F)F)c2)s1	539739855	CBEPWULKWGDLCG-LLVKDONJSA-N	299.361	5.334	0	20	CKAD	
Cc1cccc(N[C@H](C)c2cccc(-c3ccncc3)c2)c1	540708755	CASBEOSCAQAPLV-MRXNPFEDSA-N	288.394	5.230	0	20	CKAD	
CSc1cccc(N[C@H](CC(C)C)c2ccncc2)c1	647296103	INBSWSGCJUWIJZ-QGZVFWFLSA-N	286.444	5.003	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1cc(Cl)ccc1SC(C)C	729411069	OCUKDOYHRNXTNV-WDZFZDKYSA-N	297.851	5.135	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)c(C)c1	21503231	DOYRRCRJAXKTFD-CYBMUJFWSA-N	291.341	5.078	0	20	CKAD	
C[C@H](Sc1ccccn1)c1cccc2ccccc12	63415156	BLCKBMRWQQCYIQ-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
CC[C@H](Nc1ccc(C)c(-c2ncco2)c1)c1cccs1	180004886	RPGIDOBHLAUMEJ-HNNXBMFYSA-N	298.411	5.275	0	20	CKAD	
Cc1cc(C)cc([C@H](C)NCc2cccc(C(F)F)c2)c1	470759057	AYXBCVPRZOBUEK-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1cc2cccc(F)c2o1	474098157	MVFLIBFATWDZDH-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1F)C1CCCC1)c1ccoc1	532247062	KDNWYIKSVVHGST-FZKQIMNGSA-N	287.378	5.001	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccsc1	550795742	KBAJFACQDPUAQH-OLZOCXBDSA-N	271.429	5.037	0	20	CKAD	
CC(C)c1nccc(S[C@H](C)c2ccc(Cl)cc2)n1	599610944	HOKGUABZKSCGFJ-LLVKDONJSA-N	292.835	5.107	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2nc(C)sc2C)c1	678345213	ULVWCNYMIHNFSJ-SNVBAGLBSA-N	292.473	5.045	0	20	CKAD	
CCCCCC[C@@H](C)NC(=O)Nc1c(C)cccc1CC	915302977	JXCAIEBHFBUXMI-OAHLLOKOSA-N	290.451	5.038	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccccc1F)c1ccccc1	37062493	PLXIFDUJEGEKSP-KDOFPFPSSA-N	271.379	5.018	0	20	CKAD	
CCCCC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1	65889172	IUHMQIRWCWNVBP-HNNXBMFYSA-N	295.426	5.082	0	20	CKAD	
CCCCc1nc(CSc2ccc(F)c(F)c2)cs1	195558375	VVYBUILCDYMPTO-UHFFFAOYSA-N	299.411	5.056	0	20	CKAD	
Cc1ccc([C@H]2CCCN2C(=O)CCCC2CCCC2)cc1	463309655	PUFAFSZBBPOEPJ-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CCS[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1	477371285	HEZOOYZZHZVNNV-JTQLQIEISA-N	281.808	5.118	0	20	CKAD	
CCC(CC)n1ccc(CNc2csc3ccccc23)n1	486171438	GHEVYGYJBKIOKO-UHFFFAOYSA-N	299.443	5.071	0	20	CKAD	
C[C@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccoc1	532543015	BYDBDGJFNQKLJM-SCLBCKFNSA-N	287.378	5.001	0	20	CKAD	
C/C=C/c1ccc(N[C@@H]2CCCNc3ccccc32)cc1	554087056	UGPRDGKSXYWHMO-NPZFNFPTSA-N	278.399	5.079	0	20	CKAD	
C[C@@H](SC1=Nc2ccccc2C1)c1cc(F)ccc1F	735794508	YLSUYLZWWJVLSZ-SNVBAGLBSA-N	289.350	5.045	0	20	CKAD	
C[C@H](SCCSC(C)(C)C)c1nc2ccccc2o1	783555712	RZJDLSIOGBQUMF-NSHDSACASA-N	295.473	5.154	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccsc1)c1ccc(Cl)cc1	50341392	XUEYPKLWZUEFAG-ABAIWWIYSA-N	279.836	5.203	0	20	CKAD	
CC[C@@H](NCc1cccc2[nH]ccc12)c1ccc(Cl)cc1	70938809	DFFCGJPYEKWYHN-QGZVFWFLSA-N	298.817	5.062	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)s1)c1cccc(C)c1	311738745	XJHYYWRNVQQMGM-HOCLYGCPSA-N	273.445	5.167	0	20	CKAD	
CC(C)C[C@H](NCc1cc2ccccc2o1)c1ccccc1	315870484	NFRHFXZZEOYELO-IBGZPJMESA-N	293.410	5.310	0	20	CKAD	
C[C@H](SCc1cncc(C(F)(F)F)c1)c1ccccc1	461238979	HKLGRBQJDNNSQU-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
Cc1cncc([C@H](C)N[C@@H](c2cccc(C)c2)C(C)(C)C)c1	467742149	UVEWJIBZOCUCGD-LPHOPBHVSA-N	296.458	5.136	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1	487970466	RWOHDFBQBFSPAI-YIALFULDSA-N	278.355	5.034	0	20	CKAD	
C[C@H](Nc1ccccc1CCC(F)(F)F)c1ccccc1	532304211	UTCGUAVYEXJSQI-ZDUSSCGKSA-N	293.332	5.355	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H]2CCc3cc(C)ccc32)cc1	536829665	YLLRADMKRHEFEF-AUUYWEPGSA-N	297.467	5.055	0	20	CKAD	
CC(C)c1ccc(CS[C@H](C)c2cccnc2)cc1	604565440	XKBIZCYOPIXHJU-CQSZACIVSA-N	271.429	5.199	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc(N3CCCCC3)c2)c(C)o1	774282319	DUDHFYNSOQWCRN-HNNXBMFYSA-N	298.430	5.060	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2ccsc2)c(C(C)C)c1	27137177	WDEHQFPLIXXZNW-UHFFFAOYSA-N	287.428	5.247	0	20	CKAD	
Cc1c([C@H](C)NCc2ccccc2Cl)oc2ccccc12	37198920	QRLTVUBREIWPKR-ZDUSSCGKSA-N	299.801	5.245	0	20	CKAD	
FC(F)Oc1ccccc1CNc1cccc2ccccc12	302938153	IYYCPCAWWDPDBB-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
c1ccc([C@@H](NCc2ccc3ccccc3c2)C2CC2)cc1	315420833	INIMWNWMJMWPRQ-OAQYLSRUSA-N	287.406	5.081	0	20	CKAD	
Clc1sccc1CN[C@@H](c1ccccc1)C1CCC1	480371660	UKXGYGGFHWXSLB-HNNXBMFYSA-N	291.847	5.033	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1F)C1CCCC1)c1ccco1	484622476	SGTRNWLMXUXMNG-SCLBCKFNSA-N	287.378	5.001	0	20	CKAD	
Fc1ccc(SCc2csc(C3CC3)n2)cc1Cl	536089499	KEDJNXFEJQUEEI-UHFFFAOYSA-N	299.823	5.105	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1ccc2c(c1)COC2	540831107	CKLJJAJFOYHXCT-LBPRGKRZSA-N	295.407	5.105	0	20	CKAD	
CC(C)c1nc(CS[C@@H](C)c2ccc(F)cc2)cs1	604060724	UFNFGHRNEXNOHQ-NSHDSACASA-N	295.448	5.400	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc(C2CC2)cc1	679090480	UEVLNTFJSXOHMW-GFCCVEGCSA-N	257.402	5.107	0	20	CKAD	
C[C@@H]1CC/C(=C\C(=O)Nc2ccccc2-c2ccccc2)C1	753577616	BIASFZWRTIYCGN-DPEHCCBOSA-N	291.394	5.039	0	20	CKAD	
FC(F)(F)c1ccccc1/C=C\c1nc2ccccc2o1	96792112	LRUBGDWIFJMFIR-KTKRTIGZSA-N	289.256	5.017	0	20	CKAD	
CC[C@H](N[C@@H](C)c1csc(C)c1)c1cccc(Cl)c1	381327306	AIGZEMQYDXCPQU-LRDDRELGSA-N	293.863	5.512	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)[C@H](C)CCC(C)(C)C	541581097	COCWQCARCBOHIR-GFCCVEGCSA-N	281.827	5.049	0	20	CKAD	
CC[C@@H](CC(F)(F)F)N[C@H](C)c1oc2ccccc2c1C	546870820	SFRWFMSHUKNLKP-NEPJUHHUSA-N	299.336	5.123	0	20	CKAD	
Fc1ccccc1-c1cnc(CSC2CCCCC2)o1	577153936	QXYDGWNROTWPPI-UHFFFAOYSA-N	291.391	5.047	0	20	CKAD	
C[C@@H](Nc1cccc2c1ccn2C)c1cccc(Cl)c1	588909353	MCFFRXSTEUKWEJ-GFCCVEGCSA-N	284.790	5.005	0	20	CKAD	
C[C@H](OC(=O)CCC(C)(F)F)c1ccc(C(C)(C)C)cc1	915856169	WOFPVRXSGVXCQD-LBPRGKRZSA-N	298.373	5.024	0	20	CKAD	
CC(C)c1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1	43230363	HZQDZCNERMQYDV-OAHLLOKOSA-N	296.414	5.035	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)c2sccc2C(C)C)c1	124545771	GAJGLVGPSVUQSF-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cc3ccccc3o1)CC2	318930288	OVISVEQTONYVFN-KDOFPFPSSA-N	291.394	5.079	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1ccsc1)CC2	427873632	OJOVNIBFNPZAPS-ACJLOTCBSA-N	285.456	5.210	0	20	CKAD	
CCC[C@H](N[C@@H]1CCCc2sccc21)c1ccsc1	443107388	ZSTSBUXWWMZYPV-LSDHHAIUSA-N	291.485	5.318	0	20	CKAD	
Cc1csc(C(=O)Nc2ccc(C(C)C)cc2)c1Cl	478205543	BYXSLFZFNFMRDU-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1c(C)cccc1C)c1cccs1	544896315	AHNIPEAFDMYPKP-LSDHHAIUSA-N	273.445	5.167	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1cccnc1Cl	812738216	ZABSMDGCKLRDMZ-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C(\C)CC	830838408	UNXBRXBUTCJRAG-WYMLVPIESA-N	273.420	5.057	0	20	CKAD	
Cc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1C	6966658	HPVUDIIATJHRMA-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2occc21)c1cc2ccccc2s1	126413152	YHYZKFDTTIXCKJ-IUODEOHRSA-N	297.423	5.223	0	20	CKAD	
C[C@@H](NCc1ccc(C(F)F)cc1)c1cccc(Cl)c1	131301195	RRQPEFRFIBJTET-LLVKDONJSA-N	295.760	5.128	0	20	CKAD	
CCCCN(C(=O)C[C@@H]1C=CCC1)[C@@H](CC)c1ccccc1	303604428	VOQNZMHDOABTRY-MJGOQNOKSA-N	299.458	5.123	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)cs1	381698057	GNIHVRBNRXRSOX-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
CC[C@H](N[C@H](CC(F)F)c1ccccc1)c1ccccc1	421880919	QUXUBWXFCIQQLF-DLBZAZTESA-N	289.369	5.124	0	20	CKAD	
CC(C)c1ccc(N[C@@H](c2cccnc2)C2CCC2)cc1	481648608	YZUYQIKXEVBVED-LJQANCHMSA-N	280.415	5.158	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1	502425977	FGBLGRIDLTVNSA-OAHLLOKOSA-N	297.446	5.295	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccoc1	532218048	SUHDDQAYVLWRPT-ACJLOTCBSA-N	287.378	5.001	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1ccsc1)C(C)C	532500037	XVWOTULRJUWONP-YOEHRIQHSA-N	273.445	5.104	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(C(C)(F)F)cc2)s1	551241715	VSTKDWGEGUOHJY-LBPRGKRZSA-N	295.398	5.019	0	20	CKAD	
CCC[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1	583098247	IXTKPVDVQCNDRR-ICSRJNTNSA-N	295.426	5.144	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccccc1Oc1cccc(C)c1	918549318	HPTVUVQSFOBPKX-OVCLIPMQSA-N	295.382	5.082	0	20	CKAD	
C[C@@H](N[C@@H](CC1CCCC1)c1ccccc1)c1ccccn1	90765510	QJWKJEUKLOSCSE-UZLBHIALSA-N	294.442	5.054	0	20	CKAD	
Cc1cc(C)c(CN[C@@H](C)c2cc3ccccc3o2)cc1C	104908602	VCMOJVPKGKMHGD-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
C[C@@H](Nc1cccc2ccncc12)c1ccc(Cl)s1	131080672	SMPQSJWETFJWKD-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
Cc1nc(C)c(COc2ccccc2-c2ccccc2)s1	462559154	PIRXDGYRYGNWKF-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)c1	483141029	IZHWTYHMOKNTMI-IEBWSBKVSA-N	296.458	5.055	0	20	CKAD	
CCc1cccc(NC(=O)Nc2c(CC)cccc2CC)c1	502698666	KCOGDPWXYAHHEP-UHFFFAOYSA-N	296.414	5.018	0	20	CKAD	
COc1ccccc1SCc1cccc2ccccc12	519116788	AUJSGQIKTPIOST-UHFFFAOYSA-N	280.392	5.141	0	20	CKAD	
CC(C)c1ccccc1NC(=O)CC/C=C\c1ccccc1	523141063	YSHJQJGGNORYJT-SDQBBNPISA-N	293.410	5.242	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(-c3ccccc3)o2)s1	531684876	BNRPTMCLPDRPHB-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
c1csc([C@@H](NCc2cc3ccccc3s2)C2CC2)c1	531818217	CVAZUEHGFKISMI-KRWDZBQOSA-N	299.464	5.204	0	20	CKAD	
CC[C@H](NCCCCC(F)(F)F)c1ccc(Cl)s1	543488923	ISZQWKUHYGSQDF-VIFPVBQESA-N	299.789	5.175	0	20	CKAD	
Cc1ccc2ccccc2c1CN[C@@H](C)c1ccsc1	669937032	BUMOGYBPRJMXRM-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CC(=C/c1ccccc1)/C=C(\Cl)c1nc2ccccc2o1	750901332	DSECBMGOHLVZEI-LJACRCCUSA-N	295.769	5.511	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(SC)cc1)c1ccccc1	36994433	NPNFXTXHRZGOMS-KBXCAEBGSA-N	285.456	5.210	0	20	CKAD	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccccc1	37185944	MAKICKBUTUMWMI-CJNGLKHVSA-N	293.332	5.031	0	20	CKAD	
CC(C)c1ccsc1C(=O)Nc1cccc2c1CCCC2	64677801	ZLKXFOZUUGCQLV-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1ccccc1F	163606358	OBRHCAZZHASKGJ-LSDHHAIUSA-N	277.408	5.079	0	20	CKAD	
Cc1cccc(CSC2=Nc3ccccc3CS2)c1	302773729	IQCXXDGSSVVCCK-UHFFFAOYSA-N	285.437	5.163	0	20	CKAD	
CC(=O)Nc1cccc(CSc2ccc(C(C)C)cc2)c1	303093551	DVXBBFWUASSQRQ-UHFFFAOYSA-N	299.439	5.061	0	20	CKAD	
Cc1cc(CN[C@H](C)c2cccc3ccccc23)cs1	328559851	FEUYVNWLGIDBRD-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CC[C@H](NCc1oc2ccccc2c1C)c1cccs1	483122432	RSPLSBIMBIYFJT-AWEZNQCLSA-N	285.412	5.044	0	20	CKAD	
CCc1ccc([C@H](CC)N[C@@H](C)c2ccncc2CC)cc1	537013090	QJIYRNJGLNETLV-YWZLYKJASA-N	296.458	5.008	0	20	CKAD	
C[C@H](SCc1cccc2cccnc12)c1ccccc1F	604065260	RZVHJHVSTDPWJV-ZDUSSCGKSA-N	297.398	5.368	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cc2ccccc2o1)c1ccccn1	675816584	PGWZLXOLDANKFT-RHSMWYFYSA-N	294.398	5.020	0	20	CKAD	
CC[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1cccs1	679046451	HRZOQEWWOVGGRX-SJORKVTESA-N	285.456	5.330	0	20	CKAD	
C[C@@H]1CCC[C@@H](SC2=Nc3ccccc3CS2)C1	735414266	MXXXISGEQBQORO-DGCLKSJQSA-N	277.458	5.233	0	20	CKAD	
CCc1cc(C)cc(CC)c1NC(=O)/C(C)=C/C(C)(C)C	797360541	QZXBBDPBXBCLLS-WYMLVPIESA-N	287.447	5.051	0	20	CKAD	
C[C@H](Cc1ccsc1)Nc1ccccc1NC(C)(C)C	798935535	QOQDDSMEPLCWNA-CYBMUJFWSA-N	288.460	5.002	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1sccc1C(F)F	873926278	JDINWBJNABREJA-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
c1ccc2cc(SCc3nc4ccccc4o3)ccc2c1	15448080	RCVYFXPBCLVRFV-UHFFFAOYSA-N	291.375	5.273	0	20	CKAD	
Cc1ccsc1-c1nc(-c2ccccc2)c(C)s1	28334284	DAVZRQMJPILJEW-UHFFFAOYSA-N	271.410	5.155	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cccs1	48416873	CEAKXKMOKNAXCY-CYBMUJFWSA-N	299.361	5.008	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)c2ccco2)cc1	122132445	BCMRZGCYCQFICC-JXFKEZNVSA-N	291.394	5.028	0	20	CKAD	
CC(C)c1ccc(S[C@@H](C)c2cccnc2)cc1	409547980	GRVZUWDEMXITRM-ZDUSSCGKSA-N	257.402	5.058	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccsc1)c1ccc(C2CC2)cc1	417351861	DQCMLBYWOMOQNO-STQMWFEESA-N	271.429	5.037	0	20	CKAD	
CCCC(C)(C)CC(=O)Nc1c(C)cccc1C(C)C	426695892	LMUSNXKJEAOTGE-UHFFFAOYSA-N	275.436	5.273	0	20	CKAD	
CCc1cc(N[C@@H](C)c2ncc(C(C)(C)C)o2)ccc1C	477184768	CPFLKZCJMZXUDG-ZDUSSCGKSA-N	286.419	5.016	0	20	CKAD	
C[C@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccsc1	484297747	VDLGGYAOLKEONR-LRDDRELGSA-N	291.435	5.325	0	20	CKAD	
C[C@@H](N[C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccoc1	531682320	HGVCKZRDMXYTRO-CXAGYDPISA-N	289.394	5.247	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@@H](C)c2cccs2)cc1	571585386	IIEWUVPTDYWUPU-OLZOCXBDSA-N	291.485	5.272	0	20	CKAD	
C[C@@H](SCc1c(Cl)cccc1Cl)c1ccncc1	609782774	QCARNXYYFBFXLG-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2cc(C)oc2C)cc1	36994485	ZWJUGCOYCVAXHI-OLZOCXBDSA-N	289.444	5.030	0	20	CKAD	
C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccccc1	37185946	MAKICKBUTUMWMI-CZUORRHYSA-N	293.332	5.031	0	20	CKAD	
C[C@H](N[C@@H](C)c1c(F)cccc1F)c1cccc(Cl)c1	96698297	MVBQEBXMLPRIOY-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccs1)c1ccc(Cl)s1	178178023	VOXGGAOTNDNZSE-ZJUUUORDSA-N	285.865	5.265	0	20	CKAD	
COc1ccc2cc([C@@H](C)Sc3ccncc3)ccc2c1	448101385	NRBUNYJUMHTWAN-CYBMUJFWSA-N	295.407	5.097	0	20	CKAD	
Cc1csc(CSc2c(Cl)cccc2Cl)n1	461542747	KNHGBCSRUQEUDD-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2sccc2C)c1	482653703	YZZOAPSSGMJWDU-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1C)C1CC1)c1cccs1	482952680	UPYSEOVIRJBNOD-FUHWJXTLSA-N	285.456	5.249	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1cc(C)c(C)o1	502490846	ZVLSHYZGFCDNOF-QWHCGFSZSA-N	289.444	5.030	0	20	CKAD	
CSCc1cccc(N[C@@H](C)c2cccc(F)c2F)c1	537533221	ISSNFDYEZCMGAT-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
CSCc1ccc(N[C@@H]2CCCc3sccc32)cc1	539733429	DGAALJBRKMVABI-OAHLLOKOSA-N	289.469	5.101	0	20	CKAD	
CC(C)c1cnc(SCc2ccccc2F)n1C(C)C	606755484	KTNWLQFYGLUGHY-UHFFFAOYSA-N	292.423	5.019	0	20	CKAD	
CC[C@](C)(NCc1cccc(C(F)F)c1)c1ccccc1	791489973	KNWLMKMWRKTKJZ-SFHVURJKSA-N	289.369	5.039	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1	21506935	KELILWIRHTYAHP-GFCCVEGCSA-N	279.305	5.187	0	20	CKAD	
C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1ccoc1	94868692	RHLOFRZOVJTTNS-YOEHRIQHSA-N	271.404	5.108	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccccc1Sc1ccccc1	207104904	DOFBSWBHSCJGIW-NTEUORMPSA-N	297.423	5.133	0	20	CKAD	
Cc1ccccc1[C@@H](C)NCc1cc2ccccc2s1	237386690	VCWJFKVPBHLUBL-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
C[C@@H](Sc1nc2ccccc2s1)c1ccc(C#N)cc1	303687558	KVWXLMHSYOSCFV-LLVKDONJSA-N	296.420	5.021	0	20	CKAD	
CCC[C@@H](N[C@@H]1CSc2ccccc21)c1ccsc1	443094587	CZOMXZPBCLDMBQ-HUUCEWRRSA-N	289.469	5.026	0	20	CKAD	
c1ccc(-c2ccc(-c3nc4cnccc4s3)cc2)cc1	513859244	JIDOFODKVSPBGY-UHFFFAOYSA-N	288.375	5.025	0	20	CKAD	
c1ccc2c(c1)NCCC[C@H]2Nc1csc2ccccc12	516116761	SZSHISIEISKTQC-MRXNPFEDSA-N	294.423	5.260	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc3ccccc3n2)c(C)c1	537519396	CEBHECKPSWXFDS-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2c(F)cccc2Cl)o1	540187021	DSFSMEZFSAZNFN-MNOVXSKESA-N	295.785	5.046	0	20	CKAD	
CC[C@H](N[C@H](C)c1c(C)cccc1C)c1cccs1	544896312	AHNIPEAFDMYPKP-CABCVRRESA-N	273.445	5.167	0	20	CKAD	
C[C@@H](SCc1cccc2cccnc12)c1ccccc1F	604065257	RZVHJHVSTDPWJV-CYBMUJFWSA-N	297.398	5.368	0	20	CKAD	
CC(C)(NCc1csc2ccccc12)c1ccc(F)cc1	728593554	WHPKHNWRLXBISS-UHFFFAOYSA-N	299.414	5.065	0	20	CKAD	
CC/C(C)=C(/C)C(=O)Nc1ccccc1-c1cccs1	779761673	AQDLIWGDBJADPG-SEYXRHQNSA-N	285.412	5.100	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2cc(C)oc2C)cc1	36994482	ZWJUGCOYCVAXHI-QWHCGFSZSA-N	289.444	5.030	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc3oc(C(C)C)nc3c2)o1	37136862	SBZIYZDCBNDCCQ-GFCCVEGCSA-N	284.359	5.026	0	20	CKAD	
CC[C@@H](N[C@@H]1CSCc2ccccc21)c1ccc(C)cc1	37296055	PVVVWMMDONEVAM-RTBURBONSA-N	297.467	5.024	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1c(F)cccc1F	171121563	UQZKANBUVPKNPV-SECBINFHSA-N	283.268	5.076	0	20	CKAD	
Cc1cccc(CSCc2csc(C(C)C)n2)c1	302935217	FXDZNJSPWCYFML-UHFFFAOYSA-N	277.458	5.008	0	20	CKAD	
C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1	303850719	KBGKASOGBPHZFR-WBVHZDCISA-N	293.410	5.118	0	20	CKAD	
CC(C)c1ccccc1NC(=O)CCCC1CCCC1	463345151	LUOGNCHILULBJR-UHFFFAOYSA-N	273.420	5.109	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cc(C)c(C)o1)c1ccccc1	502700131	VONCFSYICRVXCW-PBHICJAKSA-N	271.404	5.088	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1ccco1)c1cccs1	539067173	BGCRPSRMTLMQPI-BLLLJJGKSA-N	277.433	5.169	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](c2ccccc2)C(C)C)c1	540834269	ZNTKBFOVNFDXEK-DNVCBOLYSA-N	283.415	5.203	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H]2CCc3c(Cl)cccc32)o1	552302772	IEAOJUMLBRKIFP-IINYFYTJSA-N	293.819	5.118	0	20	CKAD	
C[C@H](Sc1cc(Cl)ccc1Cl)c1ccncc1	619950391	BGMXSPABDURGCP-VIFPVBQESA-N	284.211	5.242	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](CC)c2cccs2)s1	49529652	VSQRNMCLSGAQES-DGCLKSJQSA-N	279.474	5.174	0	20	CKAD	
CC(C)c1ccc(NCc2cncs2)c(C(C)C)c1	54770780	FUTMIPKCRDWISG-UHFFFAOYSA-N	274.433	5.002	0	20	CKAD	
C[C@H](N[C@@H]1CCc2ccccc21)c1cc2ccccc2s1	121974466	UFCAVLAJDNASFB-SUMWQHHRSA-N	293.435	5.239	0	20	CKAD	
Cc1ccc(NCc2cccc(C(F)F)c2)cc1Cl	155961071	SKROPGZDZAGRAY-UHFFFAOYSA-N	281.733	5.198	0	20	CKAD	
COc1ccc2cc([C@@H](C)Nc3cccc(C)c3)ccc2c1	314264128	ZBSKUKYJQPXLIK-OAHLLOKOSA-N	291.394	5.330	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccccc2Cl)cs1	381519286	WYPJTYOBCGUXOE-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
Cc1cncc([C@H](C)Nc2cccc(C(F)F)c2Cl)c1	467643748	NIXGOUTWLFLVHT-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CC(C)(C)CC	472692442	SWUSDICTGDQWEA-UHFFFAOYSA-N	289.463	5.527	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H]2CC(C)(C)Cc3occc32)c1	498649525	QUTLLLYIYMNBIE-GUYCJALGSA-N	299.414	5.113	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccsc1	544572695	ONTJPKCMPDIQBM-QMMMGPOBSA-N	287.762	5.512	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)C(C)(F)F	574817476	NDCVQCJZWBNCIN-GFCCVEGCSA-N	297.389	5.163	0	20	CKAD	
Cc1occc1CN[C@H](C)c1ccc(-c2cccs2)cc1	675780325	WSHDWHXTAKRMRV-CYBMUJFWSA-N	297.423	5.167	0	20	CKAD	
CC[C@H](Nc1ccc(OC)c(SC)c1)c1ccsc1	840773035	BUIIUHQJDXSLIW-ZDUSSCGKSA-N	293.457	5.042	0	20	CKAD	
FC(F)c1cscc1-c1nc(C2CCCCCC2)no1	904686663	KHYMXHNFCASAOY-UHFFFAOYSA-N	298.358	5.174	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1c(C(C)C)cccc1C(C)C	920213867	CCIOQLZXMBSYFF-QINSGFPZSA-N	287.447	5.618	0	20	CKAD	
CC[C@H](Nc1cccc(SC)c1)c1ccc(F)cc1	21803979	JLTOKDAQJMMYCF-INIZCTEOSA-N	275.392	5.111	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C(C)C)c1cccs1	36967231	YTLRAKWTYUESKO-RDJZCZTQSA-N	273.445	5.186	0	20	CKAD	
C[C@H](N[C@@H](CC1CCCC1)c1ccccc1)c1ccccn1	90765507	QJWKJEUKLOSCSE-JXFKEZNVSA-N	294.442	5.054	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2)c(C)s1	94826817	NEKRALVUGGUSIH-GHMZBOCLSA-N	295.398	5.055	0	20	CKAD	
C[C@@H](Nc1ccc2ccn(C)c2c1)c1ccc(Cl)s1	443095993	SQMMLBXKKZHAGN-SNVBAGLBSA-N	290.819	5.066	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCCN2C(=O)CCC2CC2)cc1	489481419	DXHAFJAMAHFFQZ-LJQANCHMSA-N	299.458	5.054	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](C)c2csc(C(C)C)n2)cc1	566027884	MJYWCSSWYJLOMW-GFUIURDCSA-N	286.444	5.473	0	20	CKAD	
Cc1ccc(SCc2csc(C(C)C)n2)cc1C	642359701	SCQGDMVWDURJQW-UHFFFAOYSA-N	277.458	5.176	0	20	CKAD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1cccs1	765833234	MAQBIQQJPKEICJ-RYUDHWBXSA-N	287.453	5.375	0	20	CKAD	
CC(C)=C(C)C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785835481	PADBGTBADMHOCQ-UHFFFAOYSA-N	299.801	5.302	0	20	CKAD	
CC[C@H](N[C@H](C)c1csc2ccccc12)c1ccncc1	834571943	YBCJLWYUFUIDLA-DYVFJYSZSA-N	296.439	5.098	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2sccc2C2CC2)cc1	49375730	YFYUTUIFJKEEAY-UHFFFAOYSA-N	285.412	5.001	0	20	CKAD	
CSCCCC(=O)Nc1c(C(C)C)cccc1C(C)C	127783748	UZWVXFYTVZLSLQ-UHFFFAOYSA-N	293.476	5.015	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NCc1nccs1	352542670	SFAOKPLIWMKKAX-UHFFFAOYSA-N	274.433	5.002	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(C(F)F)cc2)cc1C	461377802	NPMKZVMZKIVYPO-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
Cc1cccc(C)c1CNc1ccc(CC(F)(F)F)cc1	462244309	KYNYUHMXMFUCLY-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CC(C)c1nc([C@H](C)Nc2cc(F)cc(Cl)c2)cs1	469777674	ABKVWXWTBDPFOW-VIFPVBQESA-N	298.814	5.232	0	20	CKAD	
CC(C)c1ccc([C@H](N[C@@H](C)c2ccncc2)C(C)C)cc1	507647425	ASCUJZHPSDOKFB-OXJNMPFZSA-N	296.458	5.253	0	20	CKAD	
Cc1cccc(C)c1[C@H](C)N[C@@H]1CCSc2ccccc21	546934263	VJXABCLADRRZQT-DOTOQJQBSA-N	297.467	5.191	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2ccoc2)ccc1-c1ccccc1	547979547	RQKXBYSTCSHBDU-INIZCTEOSA-N	291.394	5.106	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1c1ccsc1	604939090	IOSQBQPQVIEEPK-ZBFHGGJFSA-N	293.476	5.018	0	20	CKAD	
CCC/C(C)=C/C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1	740807232	JUXJTTUVUUFHPR-ZQHZRZASSA-N	299.458	5.123	0	20	CKAD	
CC[C@H](SC1=N[C@H](C)CS1)c1ccc(Cl)cc1	760184743	VVEAVRPFMWAUOX-SKDRFNHKSA-N	285.865	5.016	0	20	CKAD	
CC[C@H](Nc1cccc(C2SCCS2)c1)C(C)C	777234562	KSJBHNZXCHBVEX-AWEZNQCLSA-N	281.490	5.012	0	20	CKAD	
C[C@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)c1ccco1	883365335	YVZZDROWOULBGR-TVQRCGJNSA-N	287.256	5.026	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)c1ccc(C(C)C)cc1	1284125	LUBSUDFFJFBIGV-UHFFFAOYSA-N	295.426	5.187	0	20	CKAD	
CC[C@@H](Nc1cccc(SC)c1)c1ccc(F)cc1	21803976	JLTOKDAQJMMYCF-MRXNPFEDSA-N	275.392	5.111	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCSc3ccccc32)c(C)c1	37128098	LVJUYPFEHSJVRV-QAPCUYQASA-N	297.467	5.191	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCc3sc(Cl)cc32)cc1	129581992	OVUPQAVNHXELLE-BXUZGUMPSA-N	291.847	5.048	0	20	CKAD	
CCC[C@H](N[C@H]1CCCOc2ccccc21)c1ccccc1	360933722	UUNMTONRGHRPDY-OALUTQOASA-N	295.426	5.031	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1ccc2ccccc2c1	386232809	MTXVYDNILSSIIF-CYBMUJFWSA-N	297.348	5.951	0	20	CKAD	
CO[C@H](C)c1nc(-c2sc3ccccc3c2C)cs1	426195027	DERLFGUBYJJKNJ-SNVBAGLBSA-N	289.425	5.041	0	20	CKAD	
Cc1nc(CSCc2cccc(C(F)F)c2)c(C)s1	479601018	NBWIKKCZZRVNEG-UHFFFAOYSA-N	299.411	5.131	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(CC(C)C)c1)c1ccncc1	519440929	DTVUSTXLDVTBNP-UZLBHIALSA-N	296.458	5.082	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1csc2ccccc12	537918432	RMPJSCUEZYJMFK-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CCC	682656829	PXOUIICTPKGALM-AWEZNQCLSA-N	290.451	5.073	0	20	CKAD	
C[C@@H](c1cccs1)N(C/C=C\Cl)Cc1ccccc1	746657408	FWQUFJLYCMJEFI-APFBBLRHSA-N	291.847	5.064	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(-c2cccs2)cc1)c1ccc[nH]1	773120604	QBZLMNJKGUKMBZ-KGLIPLIRSA-N	296.439	5.155	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1cccc(Cl)c1	36921486	ZQNHFXNPZDGCNF-SWLSCSKDSA-N	277.795	5.043	0	20	CKAD	
Cc1cc([C@H](C)NCc2cc(Cl)cc(Cl)c2)c(C)o1	44729994	MOVVLDRUANWRNY-JTQLQIEISA-N	298.213	5.054	0	20	CKAD	
COCc1ccc(N[C@H](C)c2ccc3ccccc3c2)cc1	318935020	AZPDYNZORHYXTJ-OAHLLOKOSA-N	291.394	5.159	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1sccc1C	442864597	RXIJWJWRYKEEHX-STQMWFEESA-N	291.485	5.190	0	20	CKAD	
CCC(CC)C(=O)Nc1cccc(CSC(C)C)c1C	460246419	PASRYESTNPKDCC-UHFFFAOYSA-N	293.476	5.011	0	20	CKAD	
Cc1cnc([C@H](C)SC/C=C\c2ccc(Cl)cc2)o1	468653684	XGRIKPWVTHQWJN-MVZIDQBPSA-N	293.819	5.144	0	20	CKAD	
Cc1cccc([C@@H](N[C@H](C)c2ccco2)C(C)(C)C)c1	484288778	DVWLSVOFWDOHRW-RHSMWYFYSA-N	271.404	5.026	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2cc(C)c(C)o2)cc1	502407359	YBJYZMVDYCTZMG-STQMWFEESA-N	289.444	5.030	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@@H]2CCCC(F)(F)C2)cc1	539063051	OSBBDKOWIJMHIF-TZMCWYRMSA-N	299.430	5.027	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1Cl)c1cccs1	541738263	DQDUFVUALPFPDU-QMMMGPOBSA-N	287.762	5.512	0	20	CKAD	
Cc1ccc2c(c1)[C@H](Nc1ccc(COC(C)C)cc1)CC2	558058224	VARZNJWQTIUTIU-HXUWFJFHSA-N	295.426	5.019	0	20	CKAD	
CC(C)(NCc1ccc2ccccc2c1)c1cccc(F)c1	605825276	DZYXTBYDJMWYAP-UHFFFAOYSA-N	293.385	5.004	0	20	CKAD	
CC[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccs1	21513285	MDRCQTSNGJDHGO-CYBMUJFWSA-N	299.361	5.008	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccc(F)cc1	37217381	LWSIXLBPKVWZLI-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
c1ccc2cc(CN[C@H]3CCCc4sccc43)ccc2c1	61330952	GBDKLGUCTOGIPH-SFHVURJKSA-N	293.435	5.069	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)nc1)c1ccc(F)cc1F	303277401	LFNUNWGBQGBQSI-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(F)cc1	315412568	IULHBMWSVUIZLS-LLVKDONJSA-N	296.345	5.017	0	20	CKAD	
CC[C@@H](NCc1oc2ccccc2c1C)c1ccc(F)cc1	523390180	ZXGJECPQCWSYDC-QGZVFWFLSA-N	297.373	5.121	0	20	CKAD	
CC[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(C)cc1	575007794	PJUQYJQBUOADNJ-UYAOXDASSA-N	295.426	5.062	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc(CC(F)(F)F)c2)c(C)o1	683693188	QHRGGGHPCUJYLP-NSHDSACASA-N	297.320	5.174	0	20	CKAD	
O=C(Nc1ccc2ccccc2c1)c1ccc(C(F)F)cc1	726496159	SDGIINBSGAJGAA-UHFFFAOYSA-N	297.304	5.030	0	20	CKAD	
C[C@H](Nc1nc2ccccc2o1)c1csc2ccccc12	729986253	IYRLTKPEBHAOHZ-NSHDSACASA-N	294.379	5.216	0	20	CKAD	
O=C(/C=C/c1cccc(Cl)c1Cl)c1ccccc1F	7741065	GXYUXMDGIXPUQG-CMDGGOBGSA-N	295.140	5.029	0	20	CKAD	
CC1=CC/C=C(/C)CC/C=C(/C)CC[C@H](C(C)C)C=C1	95869794	DMHADBQKVWXPPM-JNTUPPFWSA-N	272.476	6.618	0	20	CKAD	
Cc1cscc1N[C@@H]1C[C@H](C)Sc2sccc21	387070683	AVSLHPLSYDWUHQ-GXSJLCMTSA-N	281.471	5.156	0	20	CKAD	
C[C@@H](Nc1nccc2occc12)c1cc2ccccc2s1	462848267	OSRBSNOGGVNZHJ-LLVKDONJSA-N	294.379	5.216	0	20	CKAD	
C[C@@H](SCc1ccncc1)c1ccc(Cl)c(Cl)c1	463207015	YKHPHCPWQAOSKJ-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1F)C1CCCC1)c1ccoc1	532247064	KDNWYIKSVVHGST-UGSOOPFHSA-N	287.378	5.001	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1ccsc1)C(C)C	532500035	XVWOTULRJUWONP-RHSMWYFYSA-N	273.445	5.104	0	20	CKAD	
Cc1ccc(C)c(CN[C@H](C)c2csc3ccccc23)c1	730019774	PHOBDTHRLZHUDF-OAHLLOKOSA-N	295.451	5.369	0	20	CKAD	
C[C@H](NCc1ccc(CF)cc1)c1csc2ccccc12	754738525	NJKCBCKMSKKLKG-ZDUSSCGKSA-N	299.414	5.222	0	20	CKAD	
CC[C@H](N[C@H](c1cccs1)C1CC1)c1cccs1	42331749	QTEGMQXVZBTLPR-WFASDCNBSA-N	277.458	5.002	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1ccc(F)cc1	49528960	MDWCFAISMBQANU-LSDHHAIUSA-N	277.408	5.079	0	20	CKAD	
C[C@H](N[C@H](CC1CCCC1)c1ccccc1)c1cccnc1	90765529	BJBZILVGWBYUHB-OXJNMPFZSA-N	294.442	5.054	0	20	CKAD	
C[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccncc1	194020743	LOAVDCWETLWTKV-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(F)c1F)c1cccc(Cl)c1	231635073	WNIPKNUHRVWTRV-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(OC(C)C)c1)c1ccccc1	302987657	WSRYOSUBCDUACH-JXFKEZNVSA-N	297.442	5.276	0	20	CKAD	
C[C@H](NCc1ccccc1C1CC1)c1cc2ccccc2o1	378930390	XLZKAZMWYGPJPC-AWEZNQCLSA-N	291.394	5.161	0	20	CKAD	
Cc1ccc(-c2ccc(CN[C@H](C)c3ccccc3)o2)cc1	409615427	JZVUWARURMPNPQ-MRXNPFEDSA-N	291.394	5.106	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)cc1C	483156341	YPQLVJGGBDWGGE-IEBWSBKVSA-N	296.458	5.055	0	20	CKAD	
O=C(C[C@H]1C=CCCC1)Nc1ccccc1-c1cccs1	487786041	RITLHZYQABBIGO-AWEZNQCLSA-N	297.423	5.100	0	20	CKAD	
CC(C)c1ncc(CNc2cccc3ccsc23)s1	533563518	KHJJPKGBXSUJAQ-UHFFFAOYSA-N	288.441	5.093	0	20	CKAD	
C[C@@H](SCc1nc2ccccc2s1)c1ccccc1	591008748	CRIZAOHOUNOAOW-GFCCVEGCSA-N	285.437	5.291	0	20	CKAD	
Cc1occc1CN[C@@H](C)c1cccc(-c2ccccc2)c1	675779315	KXXMQQIRKRPDTQ-HNNXBMFYSA-N	291.394	5.106	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2ccc(C)c(C)c2)cc1	16243646	AWYRZJMQEFURDV-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
CC(C)c1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1	35053057	IXQLSCZQJTUTNS-FQEVSTJZSA-N	279.427	5.051	0	20	CKAD	
CC[C@@H](N[C@H]1CCCc2sccc21)c1ccc(F)cc1	61359854	PEWLMISAZIMIHI-CVEARBPZSA-N	289.419	5.006	0	20	CKAD	
Cc1ccc(SCc2coc(-c3cccs3)n2)cc1	302735997	HHARDTSZHGJDOC-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CCCOc1ccccc1N[C@@H](CC)c1ccsc1	394350145	MKSZOFGTEGLHQU-AWEZNQCLSA-N	275.417	5.100	0	20	CKAD	
Clc1ccc2ccc(/C=C/C=C\c3ccncc3)nc2c1	447353190	DRMIRXHOWHZRNG-HSFFGMMNSA-N	292.769	5.010	0	20	CKAD	
Cc1cccc(C)c1NC(=O)c1ccc(C2CCCC2)cc1	463066378	GWTFSEPVAIOWBZ-UHFFFAOYSA-N	293.410	5.213	0	20	CKAD	
Cc1nnc([C@H](C)S[C@H](C)c2cccc3ccccc23)o1	532346313	CWJQHVKEOXNIJL-NEPJUHHUSA-N	298.411	5.087	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2cc(C)sc2C)c1	538549724	KLMBBYCRVIVCRI-ZDUSSCGKSA-N	289.444	5.075	0	20	CKAD	
Cc1cc(/C=C(/Cl)c2nc3ccccc3o2)ccc1F	729150294	MPDKNZGYJXSTLN-FMIVXFBMSA-N	287.721	5.012	0	20	CKAD	
CCCCC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl	915311574	MXYIHHUFLYFUIO-CYBMUJFWSA-N	296.842	5.047	0	20	CKAD	
Cc1ncc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)s1	90399640	KBDVKCXUKFUMFK-QWHCGFSZSA-N	296.439	5.017	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1cccc(F)c1	219867657	PPOXPUOVIDEQPT-LSDHHAIUSA-N	293.385	5.391	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(C)o1)c1ccc(F)cc1F	484510875	ZQONZKWFDPNXET-LRDDRELGSA-N	293.357	5.058	0	20	CKAD	
CC(C)(C)c1nc(CSc2ccc(F)c(F)c2)cs1	511050450	WBGLPYCUJYRLLN-UHFFFAOYSA-N	299.411	5.011	0	20	CKAD	
Cc1cccc([C@H](N[C@@H](C)c2cc(C)ccn2)C(C)(C)C)c1	519441309	OCPXWJPHPJDJAO-LPHOPBHVSA-N	296.458	5.136	0	20	CKAD	
C[C@@H](Nc1ccccc1CCC(F)(F)F)c1ccccc1	532304206	UTCGUAVYEXJSQI-CYBMUJFWSA-N	293.332	5.355	0	20	CKAD	
CC(C)c1ccccc1CNc1ccccc1C(F)F	864016244	PBVBCSZIOHNGQS-UHFFFAOYSA-N	275.342	5.360	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3s2)o1	121990258	DGAGUEMXKITEQV-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2csc(Cl)c2)cc1	230408165	UCBMUSNSDFPIMM-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)c1cccnc1	314168001	KWDWIOIXKLNERV-UZLBHIALSA-N	294.442	5.054	0	20	CKAD	
CC[C@H](NCCC(C)(F)F)c1ccc(Cl)c(Cl)c1	386203654	XKHNTIRZKOUSTC-LBPRGKRZSA-N	296.188	5.079	0	20	CKAD	
CC(C)c1nc2cc(N[C@@H](C)c3ccccc3F)ccc2o1	387294969	MJOQKHOOXBAJDM-LBPRGKRZSA-N	298.361	5.263	0	20	CKAD	
CC[C@@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1cccs1	481424180	OUBCXHBJESEWNU-MRXNPFEDSA-N	298.455	5.087	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccsc1)c1ccc(Cl)s1	511019544	UDKJCHZYXPCKLK-GXSJLCMTSA-N	285.865	5.265	0	20	CKAD	
Fc1ccc2oc(Oc3ccc(Cl)cc3Cl)nc2c1	511732315	AGAZJKZVNYOTOI-UHFFFAOYSA-N	298.100	5.066	0	20	CKAD	
CC(C)c1ccccc1OCc1coc(-c2cccs2)n1	661477097	ILJKLKZYOFVWDN-UHFFFAOYSA-N	299.395	5.106	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1ccccc1Oc1ccccc1	920215294	DCCUWMQOVYIDDZ-PFONDFGASA-N	295.382	5.164	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ncccc2C)C(C)C)cc1C	483156338	YPQLVJGGBDWGGE-HKUYNNGSSA-N	296.458	5.055	0	20	CKAD	
CCCc1ccccc1NC(=O)[C@@H](CCC)c1ccccc1	497472388	YSBCQMBYIUAJIV-SFHVURJKSA-N	295.426	5.162	0	20	CKAD	
CC[C@@H](SCc1cc(C)on1)c1ccc(Cl)cc1	524218649	AMBFYGHKNBOARP-CQSZACIVSA-N	281.808	5.021	0	20	CKAD	
CC[C@@H](Nc1ccc(C)c(-c2ncco2)c1)c1ccccc1	539742242	ZOSICGTZDXMQSN-GOSISDBHSA-N	292.382	5.213	0	20	CKAD	
C[C@H](SCc1nc(C2CC2)cs1)c1ccccc1	543150885	CHGDSMBBZMRWFN-NSHDSACASA-N	275.442	5.015	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@H](c2ccccc2C)C(C)(C)C)c1	556868875	XDMJCYYYWMYNBK-VQIMIIECSA-N	296.458	5.136	0	20	CKAD	
Cc1cscc1CN[C@H](C)c1ccc(F)c2ccccc12	559844548	ZOUBNAWWGNISPJ-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1cc(Cl)cs1	798499848	DCCKKJLPDFXLSH-UHFFFAOYSA-N	294.851	5.224	0	20	CKAD	
C[C@H](NCc1cccc(C(F)F)c1)c1cccc(Cl)c1	131756655	IBMHIPNHDXTSHI-NSHDSACASA-N	295.760	5.128	0	20	CKAD	
CCCc1ccc([C@H](N[C@H](C)c2ccccn2)C(C)C)cc1	236921965	YFHLFKZIJDVYLF-OXQOHEQNSA-N	296.458	5.082	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)s1)c1cccc(C)c1	311738740	XJHYYWRNVQQMGM-GDBMZVCRSA-N	273.445	5.167	0	20	CKAD	
FC(F)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	386194894	CRFCJCFVXDHWFC-CMPLNLGQSA-N	293.279	5.157	0	20	CKAD	
FC(F)c1cccc(CN2CCC[C@@H]2c2ccsc2)c1	470724788	YTDFYEIRRJZEEV-OAHLLOKOSA-N	293.382	5.023	0	20	CKAD	
CSCc1ccc(N[C@H](C)CCCC(F)(F)F)cc1	480309346	JWTGRIKZSKWKDC-LLVKDONJSA-N	291.382	5.083	0	20	CKAD	
CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1-c1cccs1	481323225	ORYIYZSKIPXDKG-KSSFIOAISA-N	299.439	5.036	0	20	CKAD	
CCSc1ccccc1[C@H](C)NCc1cscc1C	494475423	MCFPZGQEGPVNHQ-ZDUSSCGKSA-N	291.485	5.019	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@H](CC(C)(C)C)c1ccccc1	538986933	JALOYZHRSBVYKF-VQIMIIECSA-N	296.458	5.218	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1cccs1	556057929	ZFNGAIVFDGNICQ-CXAGYDPISA-N	285.456	5.427	0	20	CKAD	
CCC[C@@H](Nc1cccc(O[C@H](C)CC)c1)c1ccccn1	556218449	UQCNEKPUMMSUBM-DNVCBOLYSA-N	298.430	5.212	0	20	CKAD	
C[C@@H]1C[C@@H](N[C@@H](c2cccs2)C2CC2)c2ccccc21	564125203	TYOVHDJYENOVQM-XHBKTUGNSA-N	283.440	5.037	0	20	CKAD	
CC(/C=C(\Cl)c1nc2ccccc2o1)=C\c1ccccc1	750901330	DSECBMGOHLVZEI-DZIWGARNSA-N	295.769	5.511	0	20	CKAD	
CCc1ccc(N[C@H](C)c2cnc3ccsc3c2)cc1	68690456	LVZVYMMDBVDHMK-GFCCVEGCSA-N	282.412	5.032	0	20	CKAD	
Fc1cc(Cl)ccc1CNc1cccc(C(F)F)c1	386262107	VWQFFJUIJCQGGN-UHFFFAOYSA-N	285.696	5.029	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@]12CCC[C@@H]1C2	421422239	VEIDMUAFJOEEKF-AUUYWEPGSA-N	285.431	5.062	0	20	CKAD	
c1cc(SCc2ccc(-c3ccsc3)cc2)ccn1	436184971	DUQNBMJMYRRBDU-UHFFFAOYSA-N	283.421	5.102	0	20	CKAD	
CCC(CC)SCc1nc(-c2cccs2)oc1C	520510875	WLHFPYNRYKAWIY-UHFFFAOYSA-N	281.446	5.133	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2ccc(Cl)cc2)c1	523651762	GEURIUYSMLTTIQ-CHWSQXEVSA-N	289.806	5.221	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1ccc(C2CC2)cc1	611919469	OFMHLBCKFJOJPG-UHFFFAOYSA-N	293.410	5.248	0	20	CKAD	
CSc1ccc(C)c(N[C@@H](C)c2ccccc2F)c1	630058472	JXMXNHZOZLCIAM-LBPRGKRZSA-N	275.392	5.029	0	20	CKAD	
CCCC(C)(C)N(Cc1cccs1)C(=O)C(C)=C(C)C	801752719	VFWBTGMCHXURRR-UHFFFAOYSA-N	293.476	5.012	0	20	CKAD	
Cc1cccc(Cl)c1C(=O)Nc1cccc(C(C)C)c1	857431981	UWXXXHHDZFVIAE-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
Fc1ccc(-n2c3ccccc3c3cc(F)ccc32)cc1	1857791357	DJGAUWNMPIGNDF-UHFFFAOYSA-N	279.289	5.062	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCc2occc21)c1ccc(Cl)cc1	21787767	XGMFSWWCIYOCEK-HZPDHXFCSA-N	289.806	5.051	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1ccc(C(C)C)cc1	70092029	FRCMTCGWOFQJGT-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
CC1=CC/C=C(/C)CC/C=C(/C)CC[C@@H](C(C)C)C=C1	95869793	DMHADBQKVWXPPM-ZTAOLZRRSA-N	272.476	6.618	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccc1OC(C)C)c1ccccc1	315676999	RDVHBOAOOXRQIQ-APWZRJJASA-N	297.442	5.276	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc2nc(C3CC3)oc2c1	537449272	HDCFTEDJJDOTHM-NSHDSACASA-N	298.411	5.248	0	20	CKAD	
Cc1ccc(OCc2nc(C)c(-c3ccccc3)s2)cc1	550591594	GSEFXXPTDFOXLN-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
CC[C@@H](NCc1ccsc1C)c1ccc(Cl)s1	569254119	YLDABJNUPFOIHH-LLVKDONJSA-N	285.865	5.012	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)CC(C)(C)C	914732846	JGZIVNJWYLWJKO-UHFFFAOYSA-N	281.399	5.037	0	20	CKAD	
CCC/C(C)=C\C(=O)N(CC)[C@H](C)c1cc2ccccc2o1	920224930	QJJMGGXSIFHHOY-IKESIWSLSA-N	299.414	5.089	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2ccc(C)cc2)s1	41631770	SUHDUXWZKQSEDI-KGLIPLIRSA-N	273.445	5.031	0	20	CKAD	
Cc1sc(-c2ccoc2)nc1-c1ccc(Cl)cc1	78526977	HGBREOFEOFKLDN-UHFFFAOYSA-N	275.760	5.032	0	20	CKAD	
Cc1ncc([C@@H](C)N[C@H](C)c2ccc3ccccc3c2)s1	90399366	AZLPZNBZXSGQHV-CHWSQXEVSA-N	296.439	5.017	0	20	CKAD	
C[C@@H](N[C@H](CC1CCCC1)c1ccccc1)c1ccncc1	90765523	YFCPAOIMHFPVLS-OXQOHEQNSA-N	294.442	5.054	0	20	CKAD	
Cc1cnc(CSC(c2ccccc2)c2ccccc2)o1	173021236	RJRLARQZBYJDLF-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Oc1ccc(SC(c2ccccc2)c2ccccc2)cc1	220352092	RLTMDNJLRLVGFD-UHFFFAOYSA-N	292.403	5.274	0	20	CKAD	
Cc1nc(CS[C@H](C)c2ccc3ccccc3c2)cs1	303313893	SXULWKZJQIWQMC-GFCCVEGCSA-N	299.464	5.599	0	20	CKAD	
C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1cc2ccccc2o1	319455005	KJXNSXZRXPKABF-QWQRMKEZSA-N	291.394	5.332	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccccc2Cl)cs1	381519300	WYPJTYOBCGUXOE-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
CC[C@@H](N[C@H](CC(C)C)c1ccccc1)c1ccsc1	382197103	ZYOSYLDJXJCAIS-QZTJIDSGSA-N	287.472	5.576	0	20	CKAD	
C[C@H](CSC1CCC(C(F)(F)F)CC1)C(F)(F)F	451039773	ZMKKFJXOGHFWNH-AFPNSQJFSA-N	294.304	5.039	0	20	CKAD	
CCC[C@@H](Nc1ccc(C2CCC2)cc1)c1cccnc1	494496695	VABBNFKVYIHTIT-LJQANCHMSA-N	280.415	5.302	0	20	CKAD	
CC[C@@H](NCCCCC(F)(F)F)c1ccc(Cl)s1	543488922	ISZQWKUHYGSQDF-SECBINFHSA-N	299.789	5.175	0	20	CKAD	
Fc1ccc(-c2nc(CSC3CCCCC3)co2)cc1	603444375	RQELFVMPESALHC-UHFFFAOYSA-N	291.391	5.047	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)c1ccco1	682677942	HYRRWPVTSXUANT-CQSZACIVSA-N	299.414	5.098	0	20	CKAD	
CCCC[C@@H](C)N(C)C(=O)Nc1c(C)cccc1C(C)C	685615528	ILSHSXJDLJYEBN-OAHLLOKOSA-N	290.451	5.161	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CC(C)(C)C	191536655	UTAGIUACNBKBPJ-UHFFFAOYSA-N	275.436	5.137	0	20	CKAD	
Cc1cccc(C)c1CNc1cccc(-c2nccs2)c1	215565776	XWYSRCXXWLHLTO-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1cccs1	311889249	ONHWXPUOQYDLEK-GXFFZTMASA-N	297.826	5.343	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cs1	381510244	UWKXKSXCHVQEGI-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cccs1	482444746	AGZJYEOSRNONEQ-PXAZEXFGSA-N	289.419	5.079	0	20	CKAD	
Cc1cscc1C(=O)Nc1ccccc1-c1cccs1	486640363	SONVXTZEUMSQHF-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
CC(C)c1ccsc1C(=O)Nc1cccc(C(F)F)c1	506030271	HCGDTVMMOPHJBQ-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
Fc1ccc(/C=C\CNc2cccc(C(F)F)c2)cc1F	512037485	QREYEXSNJWYCDQ-IHWYPQMZSA-N	295.279	5.028	0	20	CKAD	
C[C@H](Sc1cccs1)c1ccc(Cl)cc1	522683861	ALRFMCMUTHOPAX-VIFPVBQESA-N	254.807	5.255	0	20	CKAD	
Cc1cccc(N[C@H](C)c2ccc(-c3ccncc3)cc2)c1	537409301	IDWWMWLJGBRSML-MRXNPFEDSA-N	288.394	5.230	0	20	CKAD	
CC[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1cccs1	537452506	UJUSCZQERQJUNB-CYBMUJFWSA-N	299.361	5.416	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1	539608915	CDMAJTNJFCLQRO-MRXNPFEDSA-N	288.394	5.230	0	20	CKAD	
CC[C@@H](Nc1cccc(COC)c1)c1ccc(Cl)s1	540738556	ZJAHPWKEHNIYEZ-CYBMUJFWSA-N	295.835	5.111	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1cc(C)ccn1)c1ccccc1	552037703	DYUPIQLWQUISMK-OXQOHEQNSA-N	296.458	5.218	0	20	CKAD	
CCC[C@H](Nc1cccc(O[C@@H](C)CC)c1)c1ccccn1	556218451	UQCNEKPUMMSUBM-KXBFYZLASA-N	298.430	5.212	0	20	CKAD	
O=[S@@](Cc1ccccc1)c1ccc(C2CCCCC2)cc1	557518407	HEEISTYJCJJBRJ-NRFANRHFSA-N	298.451	5.042	0	20	CKAD	
CCc1ccccc1NC(=O)c1ccc(SC(C)C)cc1	613297545	QMPQQUPQTLDPKL-UHFFFAOYSA-N	299.439	5.002	0	20	CKAD	
CCCCc1noc([C@H](C)S[C@H](C)c2cccs2)n1	737405929	LQEOKLUKEOTIFD-MNOVXSKESA-N	296.461	5.029	0	20	CKAD	
Cc1ccsc1CN[C@@H](C)c1csc2ccccc12	776167927	GXDFZPYFKUAHAB-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
CC(C)c1ccsc1C(=O)Nc1ccc2ccccc2c1	919676447	NPDMWLXYJBCIJC-UHFFFAOYSA-N	295.407	5.277	0	20	CKAD	
CC[C@@H](NCc1ccc(Cl)cc1)c1ccc(Cl)cc1	21820019	HOYGHBLKTDJCRQ-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2cccc(C)c2)cc1	37292210	GGPLDFBXJCDHKS-CABCVRRESA-N	285.456	5.129	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2ccc(C)cc2)s1	41631766	SUHDUXWZKQSEDI-ZIAGYGMSSA-N	273.445	5.031	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1cccc2ccccc12	50339003	YVKYRIICLVYXSE-KGLIPLIRSA-N	281.424	5.313	0	20	CKAD	
Cc1ccc(SCc2oc(C(C)C)nc2C)cc1C	436474327	LBRWFWAIJCPKFP-UHFFFAOYSA-N	275.417	5.016	0	20	CKAD	
CCc1cccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c1	439553573	YEFXBNWRNWKYAX-AWEZNQCLSA-N	292.382	5.077	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(C)cc1)c1ccsc1	443085314	AZZLGZZBDLHOMT-PBHICJAKSA-N	273.445	5.249	0	20	CKAD	
CC(C)C[C@@H](N[C@H]1CCCc2occc21)c1cccs1	447532531	ULUHHXSRPITPTD-LSDHHAIUSA-N	289.444	5.096	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1cc(C)c(C)o1)C1CC1	502708854	LYIYNKMBSPNZGL-LIRRHRJNSA-N	283.415	5.007	0	20	CKAD	
CC(C)c1ccc([C@@H](NCc2cccs2)C(C)C)cc1	521820841	GRBKLHBUJQNWNQ-SFHVURJKSA-N	287.472	5.358	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H]2CCc3cc(C)ccc32)cc1	536829668	YLLRADMKRHEFEF-KUHUBIRLSA-N	297.467	5.055	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cc(F)ccc1F)c1cccs1	539089491	SQEXDVRBXAZEQA-CABCVRRESA-N	295.398	5.218	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccc3c(c2)COC3)cc1	539610925	OOSINUIQRJPZKO-AWEZNQCLSA-N	281.399	5.013	0	20	CKAD	
Fc1ccc(CNc2cccc(C(F)F)c2Cl)cc1	544596320	OQGBDXFHCYFVAZ-UHFFFAOYSA-N	285.696	5.029	0	20	CKAD	
Cc1cc(CN[C@H](C)c2ccoc2)ccc1-c1ccccc1	547979548	RQKXBYSTCSHBDU-MRXNPFEDSA-N	291.394	5.106	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1F)c1cccc(C2CC2)c1	570990451	JRYLMYKMFNZOEY-KBPBESRZSA-N	283.390	5.115	0	20	CKAD	
Cc1nc(-c2ccc(N[C@@H](C)c3ccsc3)cc2)oc1C	679144078	WQSGOQHDQYZYDO-LBPRGKRZSA-N	298.411	5.193	0	20	CKAD	
CC(C)c1cnc(CS[C@H](C)c2ccccc2Cl)o1	733208323	VWPCHMCIBJPJOG-LLVKDONJSA-N	295.835	5.446	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)c(C)o1	37070939	INYZERLTGPQVFZ-CHWSQXEVSA-N	283.371	5.054	0	20	CKAD	
C[C@@H](Nc1ccccc1SC1CCCC1)c1ccccn1	37123467	BRKFPXHBARIEPO-CQSZACIVSA-N	298.455	5.289	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc(-c3nccs3)c2)c(C)o1	37778440	WTNRFWLXKFOLIL-GFCCVEGCSA-N	298.411	5.193	0	20	CKAD	
C(=C/c1nc(-c2ccccc2)cs1)\c1cccs1	58746306	KLLBNFZTHLYZEK-CMDGGOBGSA-N	269.394	5.042	0	20	CKAD	
CCc1c([C@H](C)N[C@@H](C)c2ccc(C)o2)oc2ccccc12	195613730	IBZQKHVNYNDJPX-KBPBESRZSA-N	297.398	5.308	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)cs1	381681631	DFDFLNBUDCOZHL-SUMWQHHRSA-N	291.435	5.244	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cccc(Cl)c1)c1ccsc1	382059268	AKWGOEQUZUKLPJ-HOTGVXAUSA-N	293.863	5.594	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1cc(C)oc1C	503869305	CZMUMBKPLLEHDZ-OLZOCXBDSA-N	289.444	5.030	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)c1ccsc1	532218219	LVQXGOJQHVYITM-KDOFPFPSSA-N	285.456	5.330	0	20	CKAD	
Cc1c([C@H](C)NC2(c3ccccc3)CC2)oc2ccccc12	538523939	UIAHULPAAICIIO-HNNXBMFYSA-N	291.394	5.081	0	20	CKAD	
CCCCCC(=O)N1CCCCC[C@H]1c1cccc(C)c1	605113581	NLBBSBIKWVBSQQ-SFHVURJKSA-N	287.447	5.019	0	20	CKAD	
CC(C)(NCc1cccc2ccccc12)c1ccc(F)cc1	728928667	AFPODZNGKBQLOT-UHFFFAOYSA-N	293.385	5.004	0	20	CKAD	
Cl/C(=C\c1cscc1Cl)c1nc2ccccc2o1	771846123	ACIRAKOTXPVKAQ-UITAMQMPSA-N	296.178	5.280	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccsc1)c1ccc(Cl)cc1	50341389	XUEYPKLWZUEFAG-XHDPSFHLSA-N	279.836	5.203	0	20	CKAD	
CCc1ccccc1NC(=O)C[C@H](c1ccccc1)C(C)C	96651352	LUDAROSEIFGZHH-SFHVURJKSA-N	295.426	5.017	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)CC	189972296	LFROGEWKEWMFLM-AWEZNQCLSA-N	290.451	5.025	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2csc(Cl)c2)c1	191475870	PUDOMSNVKISNJQ-GHMZBOCLSA-N	295.835	5.282	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cc(F)cc(Cl)c2)cs1	381762612	OVWYAOILMWDFEO-SECBINFHSA-N	269.772	5.022	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2ccccc2OC(C)C)c1	386096261	NYRYANYYLRWBCQ-DLBZAZTESA-N	297.442	5.194	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2oc3ccccc3c2C)cc1C	513098347	FMUYZYWRTRXTEE-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
Cc1ccc(-c2nc(CSc3cccs3)cs2)o1	517625422	XLOMPRTZOBYXQM-UHFFFAOYSA-N	293.438	5.065	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2cccc(Cl)c2)cc1	532441247	MBEZUGBOFBWYBH-ZDUSSCGKSA-N	289.806	5.050	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](CC(C)C)c2cccs2)o1	537991731	PIEOUMVFFSHTKO-KBPBESRZSA-N	277.433	5.088	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H](C)c2ccccc2Cl)o1	538851111	VQSKZPWMMMVASR-QWRGUYRKSA-N	281.808	5.192	0	20	CKAD	
c1ccc2c(CNc3ccc(C4CCC4)cc3)nccc2c1	683777081	MSXYQAXRADXCDJ-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
CC[C@@H](C)[C@H](C)Nc1cccc(C2SCCS2)c1	777233617	BORJAQCJNBRUSF-NEPJUHHUSA-N	281.490	5.012	0	20	CKAD	
CCC(F)(F)c1ccccc1N[C@@H](C)c1csc(C)n1	866614156	HGDYFMOUVNIDEC-JTQLQIEISA-N	296.386	5.126	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccn1)c1cccc2ccccc12	886790515	FBQLMMTWGOHGSJ-KXBFYZLASA-N	290.410	5.037	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1c(F)cccc1F	36951942	BUKAXTHCAGQRFK-GFCCVEGCSA-N	283.321	5.291	0	20	CKAD	
Clc1ccc(-c2cnc(CSCC3CCC3)o2)cc1	525223663	ZPHMEFNSQCKFKY-UHFFFAOYSA-N	293.819	5.028	0	20	CKAD	
Cc1oc2ccccc2c1CN[C@H](c1cccs1)C1CC1	539415355	HQRFDYKZAOZCFR-SFHVURJKSA-N	297.423	5.044	0	20	CKAD	
Cc1cc(CNc2ccccc2NC(C)(C)C)c(C)s1	766765536	MVOJLQOOJKAXDE-UHFFFAOYSA-N	288.460	5.187	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1nccs1	80257829	NJWUZACUDNKTNJ-CZUORRHYSA-N	288.460	5.068	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)cc1C	439556135	JSNMDKGSDKRQJX-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@@H](C)c2ccc(CC(C)C)cc2)c1	514086500	BBLYBDYGXHGXTB-IRXDYDNUSA-N	296.458	5.000	0	20	CKAD	
CCc1ccc([C@H](C)Nc2cccc([C@H](C)OC)c2)s1	539732941	AUPKFJBCNNAEPI-STQMWFEESA-N	289.444	5.191	0	20	CKAD	
Cc1ccc(C)c(N[C@H](C)c2nccc3ccccc23)c1	571249332	HXCMWFHDPNMYBA-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
C[C@H](Nc1cccc(SC(F)F)c1)c1ccsc1	690200540	VCWNLSCFPJWWRE-VIFPVBQESA-N	285.384	5.236	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1cccc(Cl)c1	42328853	WOQWIPWBWYRCJN-ZBEGNZNMSA-N	291.847	5.203	0	20	CKAD	
C[C@H](SCc1ccc(Cl)nc1)c1ccccc1Cl	63430231	RLLWWGBFWZSJEE-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
Cc1ccsc1CN[C@@H](C)c1cc2ccccc2s1	169182114	ZEVVCWLCZHYPIX-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
CCC(CC)(NCc1ccc(C)o1)c1ccc(Cl)cc1	303838850	IQDOAJFBHPYTEV-UHFFFAOYSA-N	291.822	5.047	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2ccccc2C(C)(F)F)s1	453302244	YHWSWOTXLSQEQD-JTQLQIEISA-N	296.386	5.045	0	20	CKAD	
CCSc1ccccc1[C@H](C)NCc1sccc1C	481409292	ULJAMAXSKJOAEK-ZDUSSCGKSA-N	291.485	5.019	0	20	CKAD	
C[C@@H](SCc1ncc(C2CC2)o1)c1ccc(Cl)cc1	536297503	VTMTVKRLOLXHRX-SNVBAGLBSA-N	293.819	5.200	0	20	CKAD	
CC(C)(NCc1csc2ccccc12)c1cccc(F)c1	605825327	MOWVYJRVVWIFPB-UHFFFAOYSA-N	299.414	5.065	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccc(Cl)o1)c1cccs1	620760530	GJZBTRFHNMOTOO-OAHLLOKOSA-N	297.851	5.262	0	20	CKAD	
CCC[C@@H](C)N(C)C(=O)Nc1ccccc1-c1ccccc1	642405897	PDGDTDQDXRKDNJ-OAHLLOKOSA-N	296.414	5.006	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccc(F)cc2)cc1	21520371	ZGQIHKFOISBBPE-ZDUSSCGKSA-N	257.352	5.122	0	20	CKAD	
C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccccc1F	37778308	IRYIRRKDOPJJRF-GFCCVEGCSA-N	298.386	5.122	0	20	CKAD	
CC(C)(NCc1ccc(Cl)cc1Cl)c1ccccc1	311690055	FIEPTTDXAQWTAN-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
C[C@@H](Nc1ccc2ccn(C)c2c1)c1csc(Cl)c1	469192542	NAGOVOFJLBRTCV-SNVBAGLBSA-N	290.819	5.066	0	20	CKAD	
CCc1occc1C(=O)Nc1c(C(C)C)cccc1C(C)C	485366969	ZXTJWUVMZBAHQC-UHFFFAOYSA-N	299.414	5.341	0	20	CKAD	
CCCC(CCC)S[C@@H](C)C(=O)Nc1ccccc1C	521799218	LABYMCDKOLMCNI-AWEZNQCLSA-N	293.476	5.024	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cccc(C3CC3)c2)c(C)o1	556064566	GXCSGQJFQIMOTG-UONOGXRCSA-N	283.415	5.186	0	20	CKAD	
CC(C)CCc1ccccc1NC(=O)c1occc1C(C)C	556401329	YBXCJGGLJAUZLR-UHFFFAOYSA-N	299.414	5.244	0	20	CKAD	
C(=C/c1nccc2ccccc12)\c1nc2ccccc2s1	607059422	ZVBMFQBJJWGANY-MDZDMXLPSA-N	288.375	5.015	0	20	CKAD	
CCc1cccc(C)c1NC(=O)C[C@@H]1CCCC(C)(C)C1	622321515	GVJMTBWKDDRWRI-HNNXBMFYSA-N	287.447	5.102	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cc2cnccc2o1)c1ccccc1	657823727	AMTGNLKSJIDGSA-PBHICJAKSA-N	294.398	5.020	0	20	CKAD	
C[C@H](NCc1ccc(-c2cccs2)cc1)c1ccsc1	669937755	RAARDXRKUNQVQC-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc3ccsc23)c(C)n1	679151560	VMEKUCGZKAHATH-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
CC[C@@H](NCc1ccccc1Cl)c1ccc(Cl)cc1	21515274	WCCKLMWFXYNFHW-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
CC[C@H](Nc1cccc(COC)c1)c1cccc(Cl)c1	36918217	GLKVZLWAKCMTIX-KRWDZBQOSA-N	289.806	5.050	0	20	CKAD	
CCCCCCCC[C@@H](CCCCCCC)C(=O)O	116941539	UWORJOUXMWXRPU-MRXNPFEDSA-N	270.457	5.798	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1F	185357796	CZDFNQFYTMQXMJ-MRXNPFEDSA-N	293.332	5.004	0	20	CKAD	
Cc1c([C@H](C)N[C@@H](C)c2ccc(F)cc2)oc2ccccc12	195615578	BHIJMZNFKUOMFL-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
CC[C@H](N[C@H](C)c1c(F)cccc1Cl)c1cccs1	311889251	ONHWXPUOQYDLEK-MFKMUULPSA-N	297.826	5.343	0	20	CKAD	
Cc1cc2cc([C@H](C)N[C@@H](C)CC(F)(F)F)oc2cc1C	468051935	QXBNHNAOJNZKFP-RYUDHWBXSA-N	299.336	5.041	0	20	CKAD	
c1ccc2cc(CNc3ccc4scnc4c3)ccc2c1	523536215	LEHHCSQTAOCVFK-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H](C)c2ccccc2Cl)o1	538851110	VQSKZPWMMMVASR-MNOVXSKESA-N	281.808	5.192	0	20	CKAD	
CCSc1ccc([C@H](C)NC2(c3ccccc3)CC2)cc1	539622724	FIPPWBAZMVBCSM-HNNXBMFYSA-N	297.467	5.139	0	20	CKAD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1ccco1	540840532	AVTLLPWYEKFAAD-GFCCVEGCSA-N	269.369	5.181	0	20	CKAD	
c1ccc([C@@H](NCc2ccc3sccc3c2)C2CC2)cc1	579168472	LRCXNOLDYXDFRR-LJQANCHMSA-N	293.435	5.142	0	20	CKAD	
c1ccc([C@@H](NCc2csc3ccccc23)C2CC2)cc1	49956383	FGTMHQVVNFMKOD-LJQANCHMSA-N	293.435	5.142	0	20	CKAD	
C[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1Cl	131300745	VAANPHZRLMIULT-LLVKDONJSA-N	295.760	5.128	0	20	CKAD	
Cc1c([C@@H](C)Nc2ccc3ccccc3c2)cnn1C(C)C	191419407	DVQZWNVFYSSOBU-CQSZACIVSA-N	293.414	5.099	0	20	CKAD	
Cc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)o1	237452708	NOKCBJJMTVPVCI-SNVBAGLBSA-N	298.213	5.054	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)cc1	314586998	QFSQNACMXDELCU-IRXDYDNUSA-N	289.422	5.560	0	20	CKAD	
CCc1cccc(N[C@H](C)c2ncc(-c3ccccc3)o2)c1	439553574	YEFXBNWRNWKYAX-CQSZACIVSA-N	292.382	5.077	0	20	CKAD	
FC(F)(F)Cc1cccc(NCc2ccccc2Cl)c1	462175258	JSOQCMFBBYLMIW-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
CCC[C@H](C)CC(=O)N(c1ccc(F)cc1Cl)C(C)C	516509790	BVDULICHJXIHMC-LBPRGKRZSA-N	299.817	5.047	0	20	CKAD	
Cc1ccc2oc(CN[C@@H](C)c3ccc(Cl)cc3)cc2c1	577802361	UUFTYYSUVSPZBO-ZDUSSCGKSA-N	299.801	5.245	0	20	CKAD	
CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccsc2)c2ccccc21	669851036	SOJPOZMKLPJXKM-KKXDTOCCSA-N	285.456	5.283	0	20	CKAD	
CC/C(=C\C(=O)Nc1c(C)cc(C)cc1C)c1ccccc1	728796977	TZSVGZJKXDCYQD-GHRIWEEISA-N	293.410	5.044	0	20	CKAD	
CC[C@@H](Nc1ccc(OC)c(SC)c1)c1cccs1	840773281	DRGLKGHWYBZNFJ-GFCCVEGCSA-N	293.457	5.042	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(F)cc1)c1ccccc1	21019674	LQLDXMBKBNGKIG-KDOFPFPSSA-N	271.379	5.018	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)(C)C)o1	37119191	CRINIJOAACRLEC-GUYCJALGSA-N	289.394	5.165	0	20	CKAD	
CC[C@@H](Nc1ccc(OC)c(F)c1)c1ccc(Cl)cc1	37290372	HWCGZTPCLFCQPC-OAHLLOKOSA-N	293.769	5.051	0	20	CKAD	
CC[C@H](N[C@H](c1cccs1)C1CC1)c1ccc(C)cc1	42330367	LHZJRQUAOGHNSM-WMZOPIPTSA-N	285.456	5.249	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(Cl)s1	61326724	FCJSJRBXAYPVJD-MWLCHTKSSA-N	297.876	5.191	0	20	CKAD	
C[C@H]1C[C@H](N[C@H](C)c2ccsc2)c2ccsc2S1	217000216	YVHJIYLQGJSGJU-CWSCBRNRSA-N	295.498	5.086	0	20	CKAD	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C1CCC1	303102931	CXMKDDZASLUNOJ-UHFFFAOYSA-N	299.801	5.054	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)c1	315254827	WHQTYZFZRYTKIE-SJORKVTESA-N	297.442	5.194	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	451293999	IOWKOPHNXURIFX-XYJFISCASA-N	299.458	5.137	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](c2cccs2)C2CC2)c1C	480282125	YCZDPVZHMYTUHM-KBXCAEBGSA-N	285.456	5.167	0	20	CKAD	
CC[C@@H](N[C@H](c1ncccc1C)C(C)C)c1ccc(C)cc1	483145833	QTOJMDZNMJTEDN-MOPGFXCFSA-N	296.458	5.136	0	20	CKAD	
CCCN(CC(C)C)C(=O)Nc1c(C)cccc1C(C)C	520170406	ROJUDPIHIZFVPI-UHFFFAOYSA-N	290.451	5.018	0	20	CKAD	
CCCC(CCC)S[C@H]1CCO[C@H](c2ccncc2)C1	600520657	LQMIQXSXACGKMY-IRXDYDNUSA-N	293.476	5.004	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1cc2ccncc2s1	657820883	KTNHVJNAUOAHMB-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(SC)cc1)c1cccs1	36994268	JTKXNXVKVSVOMG-DOMZBBRYSA-N	291.485	5.272	0	20	CKAD	
C[C@@H](Nc1ccc(OC2CCCC2)cc1)c1ccccc1	37016043	ISMBZYMKVQYBAP-OAHLLOKOSA-N	281.399	5.181	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc2ccccc2c1)c1ccncc1	177368938	ODDHDAWWAMJSHG-QRWLVFNGSA-N	290.410	5.037	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccsc1	382089934	HDLTVEPWOICIBO-AWEZNQCLSA-N	299.361	5.008	0	20	CKAD	
Cc1ccccc1[C@H](C)Nc1cccc(C(F)F)c1	386223991	KNKFVXLYGQCMHD-LBPRGKRZSA-N	261.315	5.106	0	20	CKAD	
FC(F)(F)Cc1ccc(NCc2ccc(Cl)cc2)cc1	462245203	HFRBTNGBAKUDNA-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
Cc1ccc(S[C@@H](C)c2ncc(C(C)(C)C)o2)cc1	476504242	LDCXORDPLGIEHL-LBPRGKRZSA-N	275.417	5.134	0	20	CKAD	
C[C@@H](SCc1ncc(C(C)(C)C)o1)c1cccc(F)c1	500261161	JORJFFJHRQVUGL-LLVKDONJSA-N	293.407	5.106	0	20	CKAD	
C[C@@H](SCc1csc(C2CC2)n1)c1ccccc1	534681558	GGLVLLCTOWSABH-LLVKDONJSA-N	275.442	5.015	0	20	CKAD	
C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1cccc(F)c1	537534685	HCSQWIVTTNFDEC-LLVKDONJSA-N	297.295	5.104	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1cc(Cl)ccc1SC(C)C	729411067	OCUKDOYHRNXTNV-IZZDOVSWSA-N	297.851	5.135	0	20	CKAD	
C[C@@H](SCc1cccc(Cl)n1)c1cccc(Cl)c1	743248814	PAKVDKYHGCZANL-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
Cc1ccc(/C=C(\Cl)c2nc3cc(F)ccc3o2)s1	756785639	DJMVHQGSEHCARK-XFFZJAGNSA-N	293.750	5.074	0	20	CKAD	
CCC(=CC(=O)Nc1ccccc1-c1ccccc1)CC	759118503	UPDBTDHWECJWCE-UHFFFAOYSA-N	279.383	5.039	0	20	CKAD	
Cc1csc([C@H](C)N[C@H](C)c2cccc3ccccc23)n1	80275199	IDACDKPQCZUUTF-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CCCC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C	303099444	BOHTVQJTNASWON-UHFFFAOYSA-N	287.790	5.054	0	20	CKAD	
Cc1ccsc1[C@@H](C)NC1(c2ccc(Cl)cc2)CC1	519770568	XIEDDXALQLFVCV-GFCCVEGCSA-N	291.847	5.050	0	20	CKAD	
Cc1cc(CS[C@H](C)c2cccc3ccccc23)no1	522299879	BFHYWGPFAFVMGN-CYBMUJFWSA-N	283.396	5.131	0	20	CKAD	
CC[C@H](Nc1ccc2[nH]c(C)cc2c1)c1ccc(F)cc1	523389206	ITLZRPLYRDLLNY-KRWDZBQOSA-N	282.362	5.179	0	20	CKAD	
CC[C@H](Nc1cccc([C@H](C)OC)c1)c1ccc(F)cc1	537529986	JCXZVEPCIOXLDS-UGSOOPFHSA-N	287.378	5.096	0	20	CKAD	
C[C@H](NCCC(F)(F)F)c1ccc(-c2cccs2)cc1	540187167	UIKLGEGIUOXEMA-NSHDSACASA-N	299.361	5.018	0	20	CKAD	
CC(C)c1cccc(CC(=O)Nc2ccccc2C(C)C)c1	622293496	OTHCOWURTRIPQO-UHFFFAOYSA-N	295.426	5.115	0	20	CKAD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1cnc2ccsc2c1	679091065	XQJLRXSJKBAKMS-GFCCVEGCSA-N	294.423	5.347	0	20	CKAD	
C[C@H](S[C@H](C)c1cccs1)c1nc2ccccc2o1	777933505	NVHGHODMRZIZQA-MNOVXSKESA-N	289.425	5.445	0	20	CKAD	
C[C@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1	21007730	BIZONKHIVZTHBG-JTQLQIEISA-N	283.268	5.018	0	20	CKAD	
Cc1ccc(NCc2nc(-c3ccccc3)cs2)cc1C	61680730	ORKJIPXDAMJFRX-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1cc(C)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)o1	175222024	DMSDYLOTDWBBBM-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C(C)C)cc1	409696004	FNPIUKZHROPAQO-HNNXBMFYSA-N	296.414	5.001	0	20	CKAD	
CCC[C@@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1	443098177	ZDPDYWUJORIJMK-SUMWQHHRSA-N	289.444	5.409	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2ccc(C(F)F)nc2)c1	657941164	BSDZGMXCGWQJGR-GFCCVEGCSA-N	290.357	5.316	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccc(Cl)s1	42330138	WFTNEUVHYLNKBT-YMTOWFKASA-N	297.876	5.265	0	20	CKAD	
Cc1nc(CNc2ccc(-c3ccccc3)cc2)sc1C	94963958	NSZGLHPMFDZHMY-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2cccc(C3CCC3)c2)s1	462953116	WIESCQUDJVYVHY-GFCCVEGCSA-N	286.444	5.201	0	20	CKAD	
CCSc1ccc([C@@H](C)NCc2cccc(C)c2C)cc1	504035336	YKVMXPHFUIUHRU-MRXNPFEDSA-N	299.483	5.266	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccc1F)c1ccc(Cl)s1	532499905	FOXRXGFSNSMJQR-GWCFXTLKSA-N	297.826	5.343	0	20	CKAD	
O=C(CC1=CCCCC1)Nc1cc(C(F)F)ccc1Cl	571801875	NOIBIEILGZTXOF-UHFFFAOYSA-N	299.748	5.107	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc2ccncc2s1)c1ccccc1	657860685	CFNBIVNJHJXKCE-CJNGLKHVSA-N	296.439	5.098	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1cccc(SC(F)F)c1	690206653	XOCHKDSDNIQWMU-JTQLQIEISA-N	299.411	5.544	0	20	CKAD	
CCCCc1ccc(NC(=S)Nc2cccc(C)c2)cc1	6629417	HIINPRNALYQFIS-UHFFFAOYSA-N	298.455	5.147	0	20	CKAD	
Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C(C)C)s1	35054217	XBPNYCBQWWTZNP-INIZCTEOSA-N	293.863	5.197	0	20	CKAD	
CCC[C@@H](NC1(c2ccccc2F)CC1)c1ccsc1	443079537	OJYRMUWSQIEVOK-MRXNPFEDSA-N	289.419	5.007	0	20	CKAD	
CC(C)[C@@H](C)C(=O)N(c1ccccc1)[C@@H](C)c1ccccc1	497829987	ASDWRBNVYLZRLB-SJORKVTESA-N	295.426	5.073	0	20	CKAD	
CC(C)=CCC[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1	563291882	HXWQXWVYIGOHHC-KGLIPLIRSA-N	280.481	5.052	0	20	CKAD	
C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1cccc(F)c1	608376189	MUBYLAUYMWAZAS-KUHUBIRLSA-N	283.390	5.018	0	20	CKAD	
CSc1cccc(N[C@@H](C)c2ccccc2F)c1C	630058339	AASKGVDEZMPJSZ-LBPRGKRZSA-N	275.392	5.029	0	20	CKAD	
CC(C)(C)OCc1ccc(N[C@H]2CCc3ccccc32)cc1	679063576	NTRLLWYYLDVHNW-IBGZPJMESA-N	295.426	5.101	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCc3ccc(Cl)cc32)s1	763395349	MRKLMWNBVDVGSC-ABAIWWIYSA-N	291.847	5.048	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3c(s2)CCC3)s1	765305795	QOAAWUNDSGIKOY-NEPJUHHUSA-N	291.485	5.019	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1cc2ccccc2[nH]1	924592597	SMEWQZDSWRTAPY-KPZWWZAWSA-N	296.439	5.031	0	20	CKAD	
CCc1cccc(C)c1NC(=O)c1ccc(CC(C)C)cc1	7400889	UEIWNBUXGSKDCR-UHFFFAOYSA-N	295.426	5.008	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccccc1F)c1cccs1	163606235	OBRHCAZZHASKGJ-CABCVRRESA-N	277.408	5.079	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2cc3ccccc3s2)cc1	169185138	AZWMJFWZDMTROE-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1ccc(F)cc1	191545694	FAWBVUOJBBXBEO-UHFFFAOYSA-N	299.389	5.154	0	20	CKAD	
Cc1nc(CS[C@@H](C)c2ccc(F)c(F)c2)c(C)s1	507589704	ZPBRXXUAPGWZBP-QMMMGPOBSA-N	299.411	5.033	0	20	CKAD	
CCCCC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1	509908593	IUHMQIRWCWNVBP-OAHLLOKOSA-N	295.426	5.082	0	20	CKAD	
Cc1csc(CNc2ccc(-c3ccccc3)cc2C)n1	532287264	MHXQEPPGXUZRAL-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC(C)c1ccc([C@H](N[C@@H](C)c2cccnc2)C(C)C)cc1	538869584	CXGFJOVQYNZXQG-OXJNMPFZSA-N	296.458	5.253	0	20	CKAD	
Cc1ccccc1-c1cnc(CSCCCCCF)o1	556290940	CWEISEITZKVHDX-UHFFFAOYSA-N	293.407	5.023	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H]1C[C@H](C)c2ccccc21	572201832	VDENAPDRYWCLFB-DEYYWGMASA-N	297.467	5.308	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1nccc2ccccc12	572829928	YRXLYWWLQYRKRA-OAHLLOKOSA-N	298.389	5.561	0	20	CKAD	
C/C=C/C=C\C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785622838	VEHONJVIZSUDRY-GQICYRDHSA-N	297.785	5.078	0	20	CKAD	
CC[C@H](N[C@@H](C)c1nc2ccccc2s1)c1ccccc1	51626343	KLFRPJLZHFQPFD-ZFWWWQNUSA-N	296.439	5.098	0	20	CKAD	
CC[C@H](NCc1cc2ccccc2s1)c1cccs1	236958409	VZEDGILSZSNTCL-AWEZNQCLSA-N	287.453	5.204	0	20	CKAD	
CCC[C@H](N[C@H](CCC)c1ccccn1)c1ccccc1	675815724	DPJXMEWRZVGVQN-PKOBYXMFSA-N	282.431	5.054	0	20	CKAD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1ccccc1	736347404	BPLMMJLIQWDQIH-KBPBESRZSA-N	281.424	5.313	0	20	CKAD	
CC(C)c1cnc(CSCc2ccc(Cl)c(F)c2)o1	785536024	AQCVHJSPGYIJJG-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C[C@@H](C)C1CC1	920814296	RGXXLPOHIXOGAK-CQSZACIVSA-N	287.447	5.308	0	20	CKAD	
Cc1cscc1CN[C@@H](C)c1cc2ccccc2s1	126626108	XURLWYRQSXKXAB-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ncc(C(C)(C)C)o1	177408168	QAZKDYJHJCLZBV-ZDUSSCGKSA-N	294.398	5.298	0	20	CKAD	
c1cc2ccc(NCc3cnc(C4CCCC4)s3)cc2o1	442986990	CEGFBQQJFRTVBQ-UHFFFAOYSA-N	298.411	5.159	0	20	CKAD	
CCCc1ccc([C@@H](N[C@@H](C)c2ccncc2)C(C)C)cc1	507633885	GFWQFKDUBXFEBK-JXFKEZNVSA-N	296.458	5.082	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cccc(C3CC3)c2)c(C)o1	556064565	GXCSGQJFQIMOTG-KGLIPLIRSA-N	283.415	5.186	0	20	CKAD	
Cc1ccc(C)c(C(=O)Nc2ccccc2CCC(C)C)c1	621613450	WZHDNQBKZVQGFX-UHFFFAOYSA-N	295.426	5.144	0	20	CKAD	
CC(C)(C)/C=C/C(=O)Nc1ccccc1Oc1ccccc1	731893760	VDKPRVSDLKVCFA-BUHFOSPRSA-N	295.382	5.020	0	20	CKAD	
CC(C)c1cnc(CS[C@H]2CCCc3ccccc32)o1	733208411	YZHJFSPFJQPLID-INIZCTEOSA-N	287.428	5.109	0	20	CKAD	
CC[C@@H](NCc1cc2ccccc2o1)c1cccc(Cl)c1	36921225	VPCPCEWJWJNARF-QGZVFWFLSA-N	299.801	5.327	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sccc21)c1ccccc1Cl	61325006	CESFGTUKJDAQKY-IAQYHMDHSA-N	291.847	5.130	0	20	CKAD	
C[C@H](NCc1ccc(-c2ccccc2)s1)c1ccsc1	61361499	LVCNVPJLCLQZBA-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cnc3ccsc3c2)cc1	68691377	YCSINZFKELVVCK-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CSc1ccc(N[C@@H](c2ccccc2)C(F)(F)F)cc1	70396750	ASPJQDBRLRRFCL-AWEZNQCLSA-N	297.345	5.124	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccccc1	96497041	KBWPOVSAUZHFTQ-LPHOPBHVSA-N	267.416	5.105	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H]1CCc2sc(Cl)cc21	129483972	MBOXAODQWSUTCS-SMDDNHRTSA-N	291.847	5.048	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2cccc(F)c2)C(C)(C)C)o1	484307264	YBJAWBOXWJSFJS-CXAGYDPISA-N	289.394	5.165	0	20	CKAD	
Cc1ccc(Cl)cc1N[C@H](C)c1ccc(C(F)F)nc1	657940958	OUMGOBQAPLNXGO-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
C[C@@H](NCc1ccc(-c2ccsc2)cc1)c1ccsc1	669939673	YDLMKSMVJPGGOQ-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
CC[C@H](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	460030054	NZBNRQWWDRPUCU-ZETCQYMHSA-N	294.609	5.022	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1	487984487	OLIQMZHTXFZKNM-YBJDMEARSA-N	284.403	5.178	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1csc2ccccc12	497519992	FUONFLPETHEKAG-UHFFFAOYSA-N	295.407	5.277	0	20	CKAD	
CSc1cccc(NCc2ccc(-c3ccccc3)o2)c1	513577058	QGYFKGRSCCFSIX-UHFFFAOYSA-N	295.407	5.281	0	20	CKAD	
C[C@H](SCc1ccc2ccccc2n1)c1ccc(F)cc1	522828965	FUOWUIJGZDBNMI-ZDUSSCGKSA-N	297.398	5.368	0	20	CKAD	
Cc1ccc2oc(CN[C@H](C)c3cc(C)sc3C)cc2c1	606911844	JZHLWVSKUIVJEF-CYBMUJFWSA-N	299.439	5.270	0	20	CKAD	
c1ccc2c(CN[C@H]3CCCc4sccc43)cccc2c1	61329397	ODWIHTXZEZRDGM-SFHVURJKSA-N	293.435	5.069	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](c1ccccc1)C1CC1	442642142	DPFYDJJIKGFDCA-AUUYWEPGSA-N	297.467	5.210	0	20	CKAD	
Cc1ncc(CS[C@H](C)c2cccc(Cl)c2)s1	518819323	HNAACKFNNBTAEM-SECBINFHSA-N	283.849	5.099	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCCC1)c1cccs1	532492254	KHQGWUSUTHESKA-RDTXWAMCSA-N	285.456	5.330	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H](C)c2ccccc2Cl)o1	538851112	VQSKZPWMMMVASR-WDEREUQCSA-N	281.808	5.192	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)c1C	604413318	IPHTXYCIUCYQOJ-CABCVRRESA-N	287.834	5.369	0	20	CKAD	
C[C@H](NCc1ccc(-c2ccsc2)cc1)c1ccsc1	669939674	YDLMKSMVJPGGOQ-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
CCC/C=C\C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	729351398	RPKJMYJIQKMZSQ-CKXPSTMWSA-N	291.460	5.180	0	20	CKAD	
C[C@H](SCc1ccc(Cl)nc1)c1cc(F)ccc1F	729856588	ZYAWQPWWDNLLFJ-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CCCCC[C@H](C)CC(=O)Nc1c(C)cccc1CC	744351327	YZDNEPWQLMCPDM-AWEZNQCLSA-N	275.436	5.102	0	20	CKAD	
CC(C)c1ccsc1C(=O)Nc1ccc(C(F)F)cc1	885577375	HHSPEVMGBNNMCN-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
FC(F)Oc1ccccc1NCc1ccc2ccccc2c1	216458143	KPTJWPMZELOOQV-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)c(C)o1	447525923	AHHYLXAUXKMZBD-AUUYWEPGSA-N	283.415	5.088	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)c1	474105925	LSMNSXIMQIVXIF-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
C[C@H](Nc1csc2ccccc12)c1ccc(Cl)cn1	480693662	MRPNTAZDVDQEMB-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@@H](C)c1cccnc1	565910477	WBPVXWLMLBNZPX-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
C[C@H](SCc1cccc2cccnc12)c1ccccc1	588665868	NRSGAVGSXWEHHD-AWEZNQCLSA-N	279.408	5.229	0	20	CKAD	
CCSCc1cccc(NCc2cc3ccccc3[nH]2)c1	618966599	HURYVQOLIYKWEV-UHFFFAOYSA-N	296.439	5.033	0	20	CKAD	
CC(C)c1ccccc1CN[C@H](c1cccs1)C1CC1	783316547	OYVRARVAVXULAK-SFHVURJKSA-N	285.456	5.112	0	20	CKAD	
CC(C)(C)c1ccc(C(O)c2ccc(C(C)(C)C)cc2)cc1	1613122	YROADUBOXHBRDA-UHFFFAOYSA-N	296.454	5.363	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1	35014356	YECZANTVFVASAC-FZKQIMNGSA-N	285.818	5.142	0	20	CKAD	
FC(F)Sc1ccc(NCc2cccc(Cl)c2)cc1	35038245	YLCXCUVSKXNSEZ-UHFFFAOYSA-N	299.773	5.267	0	20	CKAD	
COc1ccccc1[C@H](C)Nc1ccc2ccccc2c1	36951963	JVXSHYNJIGBVOC-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1cccs1	37122807	ROECNPYEVGCHAD-FZMZJTMJSA-N	279.474	5.228	0	20	CKAD	
O=C(Nc1cccc2ccccc12)c1cccc(C(F)F)c1	409603211	ZIDGHAGPGGWPBR-UHFFFAOYSA-N	297.304	5.030	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1cccc(O)c1)C(C)(C)C	442797076	WPXPTNUQJBXESJ-HNAYVOBHSA-N	297.442	5.139	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cccs1)c1ccc(F)cc1F	484505330	WHFPBDHZUWTMMX-NHYWBVRUSA-N	295.398	5.218	0	20	CKAD	
Cc1cnc([C@H](C)SCc2ccc3ccccc3c2)o1	539952485	DSCCEFFARUKGPK-ZDUSSCGKSA-N	283.396	5.131	0	20	CKAD	
Cc1ccc([C@H](C)NC2(c3ccc(Cl)cc3)CC2)s1	561840663	ZMTHHWLOHHFBGE-LBPRGKRZSA-N	291.847	5.050	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](c2ccc(F)cn2)C(C)C)cc1	574228775	GCUMVVDSMLJKCJ-PYTPGESOSA-N	284.378	5.063	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)Nc1cccc(C(F)F)c1	604942408	PGSVFEGQLWKISQ-GFCCVEGCSA-N	283.362	5.169	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2nccc3ccccc23)s1	810213140	NBZXJZKTGQLJGV-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CCc1ccccc1NC(=O)Nc1ccc(C(C)C)cc1	242954481	HGWRMSVKEIZUGV-UHFFFAOYSA-N	282.387	5.016	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2occc21)c1cccc2ccccc12	314354308	LVCJPGRLPZHWOZ-AUUYWEPGSA-N	291.394	5.161	0	20	CKAD	
Cc1csc(CSc2cc(Cl)ccc2Cl)n1	461547299	COHBOQIKQPDMDG-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
Cc1noc(C)c1CS[C@@H](C)c1cccc(Cl)c1F	478674395	LCCYHKHURFVLLO-JTQLQIEISA-N	299.798	5.078	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@H]3CCCc4occc43)oc2c1	495259911	OTDSTJIYWQWHOE-CJNGLKHVSA-N	295.382	5.062	0	20	CKAD	
CCc1ccc(CN[C@@H](CC)c2ccc(Cl)s2)cc1	512246915	ZDOYOUMABCIGSB-AWEZNQCLSA-N	293.863	5.205	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1sccc1C)C1CC1	532511334	YNAYFRBFGUIAGC-YOEHRIQHSA-N	285.456	5.167	0	20	CKAD	
C/C=C/c1ccc(N[C@H](CCC)c2cccnc2)cc1	568017333	ICWBYBUNTVHLCN-HNSSHINMSA-N	266.388	5.068	0	20	CKAD	
CC[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(C)cc1	575007792	PJUQYJQBUOADNJ-ICSRJNTNSA-N	295.426	5.062	0	20	CKAD	
Cc1ccc(SCc2csc(-c3ccco3)n2)cc1	645081835	YXAHRWYEMYDNCK-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C[C@@H](Nc1csc2ccccc12)c1cccnc1Cl	779184977	LYWWBIDBTSNPSV-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CCC(CC)(CC)[S@](=O)[C@H]1CCc2cc(Cl)ccc21	794818225	RQRDYKLRZGLWJG-HNAYVOBHSA-N	298.879	5.045	0	20	CKAD	
CCC/C(C)=C\C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	920224933	QJJMGGXSIFHHOY-ZSMUJPCHSA-N	299.414	5.089	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1cccc(C(F)(F)F)c1	50342287	DLDPVDSGIWUBBS-WDEREUQCSA-N	299.361	5.179	0	20	CKAD	
C[C@@H](NCc1cc(-c2ccccc2)cs1)c1ccsc1	61361788	ZTEHZLDEWPCMEY-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)CCCC(F)(F)F)c(C)s1	163327912	WKCZNHVCSOHPQH-MWLCHTKSSA-N	293.398	5.137	0	20	CKAD	
CCCCCc1ccc(N[C@H](C)c2cscn2)cc1	164992503	LFFWDAFUZLVKNY-CYBMUJFWSA-N	274.433	5.049	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1c(F)cccc1F	171121559	UQZKANBUVPKNPV-VIFPVBQESA-N	283.268	5.076	0	20	CKAD	
CCC[C@H](NCc1ccccc1Cl)c1ccsc1	443090090	VPYKGHXIKIOPBA-HNNXBMFYSA-N	279.836	5.033	0	20	CKAD	
c1cc(NCc2cnc3ccccc3c2)cc(C2CCC2)c1	462868586	BLBDQKVDUZEYFK-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
CC[C@@H](SCc1ncc(C(C)(C)C)o1)c1ccccc1	507731265	LMSVCAICYYKYQT-CQSZACIVSA-N	289.444	5.357	0	20	CKAD	
CC[C@H](CC1CCCC1)C(=O)Nc1ccc(F)cc1Cl	510195388	DHSFVHQRLFVEKD-GFCCVEGCSA-N	297.801	5.024	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1cccc(CC(F)(F)F)c1	537538086	XPQKFWBKXSIYLV-NSHDSACASA-N	299.361	5.334	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H](C)c2ccc(Cl)cc2)o1	539951247	UHTAPVDMOVQFLK-GHMZBOCLSA-N	281.808	5.192	0	20	CKAD	
C[C@H](Nc1cccc2cc[nH]c12)c1cccc(Cl)c1F	547806687	VNYVJEMWIUBAJL-JTQLQIEISA-N	288.753	5.134	0	20	CKAD	
C[C@H](SCc1cccnc1Cl)c1ccc(Cl)cc1	727055535	YZFSIZFUINUYOB-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
C/C=C(\C)C(=O)Nc1ccc(Sc2ccccc2)cc1C	751360514	KUPARSSNLHIIFY-YIXHJXPBSA-N	297.423	5.051	0	20	CKAD	
CC[C@@H](NCc1ccc(CF)cc1)c1ccc(Cl)s1	754333748	NDDDAUMTWIODTF-CYBMUJFWSA-N	297.826	5.112	0	20	CKAD	
C[C@@H](Nc1cccc(COc2ccccc2)c1)c1ccco1	776859240	SGCQAXCMKFOCHD-OAHLLOKOSA-N	293.366	5.032	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccns1)c1cc(C)sc1C	858576648	LGOGULXHRPGUQY-BXUZGUMPSA-N	294.489	5.013	0	20	CKAD	
CCC(C)(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	5501255	XPNPVLAKGOGNOI-UHFFFAOYSA-N	294.609	5.022	0	20	CKAD	
Cc1ccccc1N[C@@H](C)c1ccc(OC(F)(F)F)cc1	19987402	NFKXUFOTHLNHEU-LBPRGKRZSA-N	295.304	5.067	0	20	CKAD	
CCCCC1CCC(C(=O)Nc2c(C)cccc2C)CC1	40037793	QGPTVOBREADMFG-UHFFFAOYSA-N	287.447	5.239	0	20	CKAD	
Cc1ccc(C)c(NC(=O)C[C@H](c2ccccc2)C(C)C)c1	96650639	RWOWFAQTWPYGHR-SFHVURJKSA-N	295.426	5.072	0	20	CKAD	
C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1	303850716	KBGKASOGBPHZFR-DOTOQJQBSA-N	293.410	5.118	0	20	CKAD	
CC(C)c1ccc(SCc2nc3ccccc3o2)cc1	479253891	VVBLFZJLWQRMMG-UHFFFAOYSA-N	283.396	5.244	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)oc1C	502686112	UFQDXJAALSUHMC-FZKQIMNGSA-N	289.394	5.083	0	20	CKAD	
Cc1cc(CN[C@H](C)c2oc3ccccc3c2C)ccc1F	518779270	LGESQGPMAXLGAL-CQSZACIVSA-N	297.373	5.040	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	538986930	JALOYZHRSBVYKF-APWZRJJASA-N	296.458	5.218	0	20	CKAD	
C[C@H](SCc1cccc2cccnc12)c1cccc(F)c1	604071931	OGJBBEFDTAWTMX-ZDUSSCGKSA-N	297.398	5.368	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1cccnc1Cl	834881382	MDILZSWBYLWSSC-SNVBAGLBSA-N	296.748	5.020	0	20	CKAD	
CC(C)c1ccccc1N[C@H](C)c1ccccc1F	21010804	LODCBJFFQGLFFW-CYBMUJFWSA-N	257.352	5.122	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1ccccc1Cl	51100022	MZSYPLUQAJVCNS-MEDUHNTESA-N	291.847	5.203	0	20	CKAD	
CC(C)[C@@H](NCc1sccc1Cl)c1ccc(F)cc1	394077532	FDWLLNMXJHMPTM-OAHLLOKOSA-N	297.826	5.028	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@]12CCC[C@H]1C2	421422242	VEIDMUAFJOEEKF-LIRRHRJNSA-N	285.431	5.062	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccsc1)c1ccc(F)cc1F	484508369	OVYUGBGSSBYSHM-BDJLRTHQSA-N	295.398	5.218	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(C)o1)c1ccc(F)cc1F	484510877	ZQONZKWFDPNXET-WBMJQRKESA-N	293.357	5.058	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@H]2CCc3ccccc32)cc1	531705037	MWMOOQOEANFZCI-KUHUBIRLSA-N	297.467	5.137	0	20	CKAD	
CCC(C)(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C	726756381	MHNBGPQZAYDNBA-UHFFFAOYSA-N	293.476	5.260	0	20	CKAD	
CC(C)c1ccc(CSCc2ncc(C(C)C)o2)cc1	733208183	UFZRUKDETJIEGJ-UHFFFAOYSA-N	289.444	5.355	0	20	CKAD	
CCC(=CC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1)CC	759162650	CQJCEBAHCOCFLV-AWEZNQCLSA-N	299.414	5.089	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2nccc3ccccc23)s1	810213142	NBZXJZKTGQLJGV-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](N[C@@H](C)c1csc2ccccc12)c1ccncc1	834571944	YBCJLWYUFUIDLA-GUYCJALGSA-N	296.439	5.098	0	20	CKAD	
Clc1cccc(CNc2cccc3ccccc23)c1	8436649	ONNVPKGQDURDIN-UHFFFAOYSA-N	267.759	5.105	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1F)c1ccc(F)cc1Cl	37764409	OUTFOGXAMPPZPX-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccsc1	61361555	AHUKBTOHKKXVIG-ZBEGNZNMSA-N	291.847	5.203	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1nc2ccccc2o1	182420430	VHKVASCKGRFAJR-CYBMUJFWSA-N	288.350	5.154	0	20	CKAD	
C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1F	315407106	HDMWDPXONFZFPV-NSHDSACASA-N	296.345	5.017	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc(C)sc2C)cs1	381487952	PHMHDHCKUMNDQV-NEPJUHHUSA-N	279.474	5.147	0	20	CKAD	
Cc1cc(C)cc(N[C@H](C)c2ncc(-c3ccccc3)o2)c1	439547996	KZQAJBLHSZDOFB-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@H](C)c2ccc(Cl)s2)c1C	477952000	YAGFFRGCJRZMQU-VHSXEESVSA-N	297.855	5.051	0	20	CKAD	
C[C@H](CCCC(F)(F)F)NCc1ccc2ccccc2c1	480164895	HAZHHBXBTVNFPR-CYBMUJFWSA-N	295.348	5.051	0	20	CKAD	
CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1c1cccs1	522670308	JBFZEAUKLGWIJP-LSDHHAIUSA-N	293.476	5.018	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CC1)c1cc2c(s1)CCC2	532452135	SRLNTICDQVFYPC-ORAYPTAESA-N	297.467	5.039	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2ccc3c(c2)COC3)c1	538627178	BNAUCFKMYSPKFM-ZDUSSCGKSA-N	299.439	5.002	0	20	CKAD	
CSc1ccc(CN[C@@H](CC2CC2)c2ccccc2)cc1	608064228	RWQOBDZECNUTKC-IBGZPJMESA-N	297.467	5.040	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2ccsc2)cc1F	669850807	KQXYOBVHGLKLQV-WDEREUQCSA-N	295.448	5.021	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2ccc(Cl)nc2)c1	776803295	HTLBDXBZYWQLTC-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2ccccc2F)cc1Cl	37773335	JYPSMZOLXMUPMV-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
CCC[C@@H](N[C@H](c1cccs1)C1CC1)c1ccccc1	42330510	XXROMUWFENPYNI-AEFFLSMTSA-N	285.456	5.330	0	20	CKAD	
Clc1cccc(SCc2cccc3cccnc23)c1	72076781	WEPIJJZTTXHZHT-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
Cc1ccc(C[C@H](C)N[C@@H](C)c2cc3ccccc3o2)s1	80242324	YSFUVFPVVCZGOV-JSGCOSHPSA-N	299.439	5.085	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2cccs2)c2[nH]c(C)c(C)c2c1	482371184	SBXFSEJXRZZLCO-AWEZNQCLSA-N	298.455	5.005	0	20	CKAD	
CC(C)C[C@@H](NCc1ccccc1Cl)c1cccs1	521814696	QSRHADFQMVMJKO-OAHLLOKOSA-N	293.863	5.279	0	20	CKAD	
CC(C)C[C@@H](N[C@H](C)c1ccccc1)c1cccs1	536873782	AQHQFAWKTUMURG-GDBMZVCRSA-N	273.445	5.186	0	20	CKAD	
C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376343	VSODWAYXJJFZIK-KUHUBIRLSA-N	283.390	5.018	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccccc2C)c(C)s1	19991771	IYBPXBBWGUUGGU-KBPBESRZSA-N	273.445	5.085	0	20	CKAD	
CC(C)OCCS[C@@H](C)c1ccc2ccccc2c1	303007501	WBBUEVFREIKQQZ-AWEZNQCLSA-N	274.429	5.059	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)c1ccco1)c1ccsc1	382191696	ZCHFPKXMYFKFRT-FUHWJXTLSA-N	297.423	5.171	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@@H](C)c3ccccc3)oc2c1	425915484	HIWMSKKWTHFJJL-GJZGRUSLSA-N	279.383	5.153	0	20	CKAD	
FC(F)c1ccc(CSCc2ccc(Cl)nc2)cc1	763399813	GZZRKIMEPKJMDP-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(COC(C)C)cc1	776873821	SDFKBIVCXWNTIX-FQEVSTJZSA-N	295.426	5.019	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccc(F)cc2C)c(C)s1	815555715	GMXHFMPEMDDUFR-CHWSQXEVSA-N	291.435	5.224	0	20	CKAD	
CC(C)c1ccc(NC(=O)/C=C\c2ccco2)c(C(C)C)c1	915163676	IHAIELOBMHWPAS-NTMALXAHSA-N	297.398	5.178	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccc(F)cc1	21520344	RFAIGQZSPPOAGX-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(C)s1)c1ccccc1	37062475	RTFBMIGPNJHDHH-HOCLYGCPSA-N	273.445	5.249	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2nc3ccccc3s2)cc1	37769975	ZAHHREQIVYISEC-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2csc3ccccc23)cc1	48327127	XHQCLFPJVKDURT-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2nc3ccccc3s2)c1	157271320	WHSOPRQPIITVLB-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2cc3ccccc3s2)s1	169182996	STUQDBULQIUQSK-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc3ccccc3c2)cc1	314586994	QFSQNACMXDELCU-IAGOWNOFSA-N	289.422	5.560	0	20	CKAD	
Cc1ccccc1[C@H]1CCCN1C(=O)CCCC1CCCC1	463271317	GGCDUVWTIBEUJI-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CCC[C@@H](CC)S[C@H](C)c1nnc(-c2ccccc2)o1	477043653	AEGWQQNJBDEZBA-TZMCWYRMSA-N	290.432	5.110	0	20	CKAD	
CO[C@H](C)c1cccc(NCc2ccccc2C(C)C)c1	864027883	LXAAKDMZAHJYCQ-OAHLLOKOSA-N	283.415	5.130	0	20	CKAD	
CC[C@H](N[C@@H]1CCCc2occc21)c1cccc(Cl)c1	20009510	IWWAGVJIXPTMJZ-JKSUJKDBSA-N	289.806	5.051	0	20	CKAD	
Cc1nc(-c2ccc(N[C@H](C)c3ccccc3)cc2)cs1	20546548	KPUMTCGNCGSVMK-CYBMUJFWSA-N	294.423	5.292	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)c1	37301614	OGYIUHALRXYBKC-LSDHHAIUSA-N	279.383	5.153	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CC1)c1cc2ccccc2o1	195614320	HPRMVMRSLBQHNC-VBKZILBWSA-N	291.394	5.235	0	20	CKAD	
CC[C@@H](Sc1cccs1)c1ccc(F)cc1	303765620	IKJODDGGQQPGMA-GFCCVEGCSA-N	252.379	5.131	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@@H](N[C@H](C)c1cccs1)CC2	427864474	FDGNFODHJIVQHJ-DYVFJYSZSA-N	285.456	5.210	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2cc3ccccc3o2)c1	538635605	CNAUOWPRXZIETR-UONOGXRCSA-N	295.382	5.313	0	20	CKAD	
CC[C@@H](CC(F)(F)F)N[C@H](CC)c1ccc(Cl)s1	544830222	UXCJQNWCUOYAEY-DTWKUNHWSA-N	299.789	5.173	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@H](C)CC(C)(C)C	614495894	ULPSTSHRNSZINS-AWEZNQCLSA-N	289.463	5.519	0	20	CKAD	
Cc1cccc(CN[C@H](C)c2csc3ccccc23)c1C	730019360	JAGQHYDJLGWYHY-OAHLLOKOSA-N	295.451	5.369	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccc(SC(C)(C)C)cc1C	751257537	UDFKQBOPQFJMSM-XYOKQWHBSA-N	291.460	5.180	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCc3ccc(Cl)cc32)s1	763395358	MRKLMWNBVDVGSC-NHYWBVRUSA-N	291.847	5.048	0	20	CKAD	
CC[C@@H](NCc1c(C)cccc1F)c1ccc(Cl)s1	766212759	KTTQSTZRBLOPJB-CYBMUJFWSA-N	297.826	5.090	0	20	CKAD	
FC(F)(F)c1cccc(/C=C\c2nc3ccccc3o2)c1	33826520	DKDUEHPEQGDUGI-HJWRWDBZSA-N	289.256	5.017	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(F)c(Cl)c2)c(C)s1	53149503	GOQGGJQAFUQBRD-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1ccccc1Cl	386191193	PZYCPMNQXOARFH-SNVBAGLBSA-N	281.733	5.451	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2ccc(Cl)cn2)c1	480300171	HOAFUZNNUVHSSQ-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@H](C)c2cscn2)cc1	527910873	FJTZVFRPUHOKCJ-BFHYXJOUSA-N	288.460	5.068	0	20	CKAD	
Cc1ccncc1[C@H](C)Nc1cccc(-c2cccs2)c1	540839414	UYFRSXXTBLMRPS-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
Cc1cccc([C@H](C)SCc2cccc(Cl)n2)c1	743248990	ZWZVLJAVHYBOTN-LBPRGKRZSA-N	277.820	5.038	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2ccc(C)s2)cc1	36994378	LMIYPBJVCFQEBG-QWHCGFSZSA-N	291.485	5.190	0	20	CKAD	
Brc1c(-c2ccccc2)sc2ccccc12	39259099	CRRPYQBETAPMEK-UHFFFAOYSA-N	289.197	5.331	0	20	CKAD	
CC[C@@H](N[C@H](C)c1oc2ccccc2c1C)c1cccs1	49529431	YLIGSERLVUCPQO-UKRRQHHQSA-N	299.439	5.605	0	20	CKAD	
CCC[C@H](N[C@H](C)c1sccc1C)c1ccccc1	70090992	WYCYEHBWLYJKAV-ZBFHGGJFSA-N	273.445	5.249	0	20	CKAD	
CCCCCc1ccc(N[C@@H](C)c2nccs2)cc1	86508040	VHXWVLFWLJSHCM-ZDUSSCGKSA-N	274.433	5.049	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cc(F)ccc2Cl)c(C)s1	98060104	DUFHRXRFRMTTOV-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
Cc1nc(C(C)C)oc1CSc1ccc(Cl)cc1	436473095	FEICGFGBHSUFKG-UHFFFAOYSA-N	281.808	5.052	0	20	CKAD	
Cc1ccc(CN[C@H](CC(C)C)c2ccc(Cl)cc2)o1	462727344	NJFPGEKSQAEQOK-QGZVFWFLSA-N	291.822	5.118	0	20	CKAD	
CCSc1ccc([C@H](C)NCc2cscc2C)cc1	494494231	LFUDXMBGAMUJRJ-ZDUSSCGKSA-N	291.485	5.019	0	20	CKAD	
CC(C)(NCc1ccc2ccccc2c1)c1ccc(F)cc1	728593571	XGOFZGSSEPYHDZ-UHFFFAOYSA-N	293.385	5.004	0	20	CKAD	
CCC(CC)(CC)S[C@@H](C)C(=O)Nc1ccccc1C	762970812	XCZPHYAAPRHTLX-AWEZNQCLSA-N	293.476	5.024	0	20	CKAD	
Cc1ncc([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)s1	90399364	AZLPZNBZXSGQHV-STQMWFEESA-N	296.439	5.017	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C1CC1)c1ccccc1F	168751060	CYYDNWYXEANKTH-RBUKOAKNSA-N	283.390	5.018	0	20	CKAD	
FC(F)c1cccc(N[C@H]2CCc3ccc(Cl)cc32)c1	541259994	YDYOXGTZGUQUFM-HNNXBMFYSA-N	293.744	5.377	0	20	CKAD	
CCCC(CCC)S[C@@H]1CCO[C@H](c2ccncc2)C1	600520658	LQMIQXSXACGKMY-SJORKVTESA-N	293.476	5.004	0	20	CKAD	
c1ccc([C@@H](CC2CC2)NCc2cc3ccccc3o2)cc1	608064519	XVROQCDQMPZVFN-LJQANCHMSA-N	291.394	5.064	0	20	CKAD	
CCCCCc1ccc(NCc2nc3ccccc3o2)cc1	679038589	OKIHKSZLFQYTTD-UHFFFAOYSA-N	294.398	5.173	0	20	CKAD	
CC(C)CCCCCC(=O)N1CCC[C@H]1c1cccs1	747874609	QFEVGLMZEXOZTL-HNNXBMFYSA-N	293.476	5.018	0	20	CKAD	
CC(C)c1cnc(CSCc2cc(Cl)ccc2F)o1	786807911	RBWIMOUNLUKSMV-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1nccs1)c1cccs1	93403053	XVGYDYDSAVPQQS-RISCZKNCSA-N	294.489	5.033	0	20	CKAD	
Cc1cccc(CN[C@@H](C)c2cccc(Cl)c2Cl)c1	227530113	DAIFCTBGLMEORM-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
CCc1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1	469795376	CFSJJTXYHXZCMQ-LBPRGKRZSA-N	274.433	5.002	0	20	CKAD	
CSCc1cccc(N[C@H](C)CCCC(F)(F)F)c1	548483584	OSROUTGKTBDSBR-LLVKDONJSA-N	291.382	5.083	0	20	CKAD	
CC[C@@H](NCc1ccsc1)c1cccc2ccccc12	682131252	VPGWCYSNWIEBNA-GOSISDBHSA-N	281.424	5.142	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)c(C)s1	37070840	QGMKNZYXVZCYCA-STQMWFEESA-N	299.439	5.523	0	20	CKAD	
C[C@@H](Nc1ccc(SC2CCCC2)cc1)c1cccnc1	37085911	CQKRBJNUNRMFCW-CQSZACIVSA-N	298.455	5.289	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](c2ccccc2)C2CC2)s1	41204372	QIIHQUNTKGRFQI-SCLBCKFNSA-N	285.456	5.112	0	20	CKAD	
Cc1cc([C@H](C)Nc2nccc3sccc23)c(C)s1	48335262	SGDUDKAZJFJRQN-JTQLQIEISA-N	288.441	5.148	0	20	CKAD	
CC(C)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	61114623	KLDRMPFMDFRQRW-UHFFFAOYSA-N	294.609	5.022	0	20	CKAD	
CC(C)c1ccc([C@H](N[C@@H](C)c2ccccn2)C(C)C)cc1	500652177	OQWNUILBDNEQBL-OXJNMPFZSA-N	296.458	5.253	0	20	CKAD	
CC(C)C[C@H](N[C@@H](C)c1cccs1)c1cccs1	539093053	JWUFTGNCMLJRAE-STQMWFEESA-N	279.474	5.248	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1cccc(C2CC2)c1	550795743	KBAJFACQDPUAQH-QWHCGFSZSA-N	271.429	5.037	0	20	CKAD	
c1cc2c(s1)CCC[C@@H]2NCc1ccc2sccc2c1	580381887	VQRLNXVKRCKBCW-HNNXBMFYSA-N	299.464	5.130	0	20	CKAD	
C[C@H](Sc1cccc2cccnc12)c1ccccc1	605258461	HOWAXIXHJYNBRP-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
CC(C)[C@H](NCc1cscc1Cl)c1ccc(F)cc1	678869521	RDUMMQPHDVEYMW-HNNXBMFYSA-N	297.826	5.028	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1c1cccs1	742482306	HEUDNIBWSTXVFY-CABCVRRESA-N	293.476	5.018	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C(/C)CC	830838383	UNXBRXBUTCJRAG-OWBHPGMISA-N	273.420	5.057	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1ccc(Cl)nc1	834880610	BYJRWIGZHDNGJP-SNVBAGLBSA-N	296.748	5.020	0	20	CKAD	
C[C@H](N[C@H]1CCc2cccc3cccc1c23)c1ccccc1	887572947	HKNOWTPCMUFHOR-YWZLYKJASA-N	287.406	5.178	0	20	CKAD	
Brc1cc(-c2ccccc2)cc2ccccc12	82187678	BEFMAPWNLJTUJR-UHFFFAOYSA-N	283.168	5.269	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1ccc(C)s1	442863244	QSKHGWPOZHGMSL-QWHCGFSZSA-N	291.485	5.190	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)CC2(C)CC2)c(C)c1	468937902	KDLCNMMLXFLWFR-ZDUSSCGKSA-N	291.460	5.014	0	20	CKAD	
C[C@H](Nc1ccc(-c2cnc(C3CC3)o2)cc1)C(C)(C)C	537538584	PKRDWAWTFUECAJ-LBPRGKRZSA-N	284.403	5.066	0	20	CKAD	
CC(C)C[C@@H](N[C@H](C)c1cccs1)c1cccs1	539093036	JWUFTGNCMLJRAE-CHWSQXEVSA-N	279.474	5.248	0	20	CKAD	
C[C@H](N[C@@H]1CSc2ccccc21)c1cccc(C2CC2)c1	556094376	SQUZHXXCFKTXKD-SCLBCKFNSA-N	295.451	5.062	0	20	CKAD	
CCN(Cc1ccoc1)[C@@H](C)c1ccc2ccccc2c1	588236650	RYIPBIIVJXNWKP-HNNXBMFYSA-N	279.383	5.016	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(-c3nc(C)c(C)o3)cc2)o1	679142430	GTHCSPXSIXRDRO-ZDUSSCGKSA-N	296.370	5.033	0	20	CKAD	
CCC(C)(C)CC(=O)Nc1cccc(C(F)F)c1Cl	680401916	KCHUISBHGLYHCB-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
C/C(=C/C(C)(C)C)C(=O)Nc1ccccc1-c1ccccc1	771875884	VLSYWOGXBUCYMZ-PFONDFGASA-N	293.410	5.285	0	20	CKAD	
FC(F)(F)c1cccc(CNc2ccc3occc3c2)c1	864018284	YHGDLJASPLUIGB-UHFFFAOYSA-N	291.272	5.064	0	20	CKAD	
CC/C=C(\C)C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	918643749	OHTKDEMNLYDRBN-KWJIGKFDSA-N	299.458	5.004	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2cc3ccccc3[nH]2)c1	926084861	LFIJUYUHOVLCMB-KGLIPLIRSA-N	294.398	5.048	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sccc21)c1cccc(Cl)c1	61325021	LWBYZRTWTDEJRC-ABAIWWIYSA-N	291.847	5.130	0	20	CKAD	
C[C@H](S[C@H](C)c1ccc2ccccc2c1)c1cnccn1	185547520	HWWQXKFTNALGAD-KGLIPLIRSA-N	294.423	5.185	0	20	CKAD	
CCc1c([C@@H](C)N[C@H](C)c2ccc(C)o2)oc2ccccc12	195613731	IBZQKHVNYNDJPX-ZIAGYGMSSA-N	297.398	5.308	0	20	CKAD	
c1cc(N[C@H](c2cccnc2)C2CCC2)cc(C2CCC2)c1	462963363	LDYDZKTWHPPRGR-FQEVSTJZSA-N	292.426	5.302	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@H](C)CCC	472676574	WDQIVYLICNOKEX-OAHLLOKOSA-N	289.463	5.527	0	20	CKAD	
Cc1cc(C)c(C(=O)Nc2ccc(C(C)C)cc2C(C)C)o1	486822513	OAIGLVGVAQWSEX-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
CCc1cccc(NC(=O)Nc2ccccc2C(C)C)c1	502676924	CWAKSLFXFKKZBW-UHFFFAOYSA-N	282.387	5.016	0	20	CKAD	
CCc1cccnc1[C@@H](C)N[C@H](CC(C)C)c1ccccc1	507491364	BLBJHAXFPCLDIY-VQIMIIECSA-N	296.458	5.082	0	20	CKAD	
CCCc1nc(CS[C@H](C)c2ccccc2)cs1	515721886	XCRJTKJXPCXBCZ-GFCCVEGCSA-N	277.458	5.090	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccccc1F	531705785	TUMNJKWVCHKNER-LIRRHRJNSA-N	283.390	5.018	0	20	CKAD	
C[C@@H](SCc1nc(C2CC2)cs1)c1ccccc1	543150884	CHGDSMBBZMRWFN-LLVKDONJSA-N	275.442	5.015	0	20	CKAD	
CCc1ccccc1NC(=O)[C@@H](CC(C)C)c1ccccc1	607061976	MFOKKAGKUMOEHI-SFHVURJKSA-N	295.426	5.017	0	20	CKAD	
CCCCCN(C(=O)Nc1ccc2ccccc2c1)C(C)C	743058569	WXZYORVNLXSNCM-UHFFFAOYSA-N	298.430	5.272	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc3c(s2)CCC3)s1	765305797	QOAAWUNDSGIKOY-RYUDHWBXSA-N	291.485	5.019	0	20	CKAD	
C[C@H](Nc1csc2ccccc12)c1ccc(Cl)nc1	779185202	ODFAPQZNSGWDMS-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
C[C@H](NCc1ccoc1)c1ccccc1SC(C)(C)C	788564084	SDSWYIWSYHLDJN-ZDUSSCGKSA-N	289.444	5.021	0	20	CKAD	
Cc1c([C@H](C)N[C@H](C)c2ccc(F)cc2)oc2ccccc12	195615584	BHIJMZNFKUOMFL-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
CCC[C@@H](NCc1sccc1Cl)c1ccccc1	394079581	OCPHAYNEDGTVGU-CQSZACIVSA-N	279.836	5.033	0	20	CKAD	
Cc1cc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)co1	436083726	CCVLJJFASYBJLJ-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
CCC[C@H](NCc1ccc(Cl)s1)c1ccsc1	443101246	KVKNJKYFDSARGI-LBPRGKRZSA-N	285.865	5.094	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2cccc(Cl)c2)c1	532459180	OQGNRKWPRRWQCM-CYBMUJFWSA-N	289.806	5.050	0	20	CKAD	
C/C=C/c1ccc(N[C@H](C)c2cnn(C(C)(C)C)c2C)cc1	562056796	LBJVAPNPGWEKKR-HSBSLETESA-N	297.446	5.153	0	20	CKAD	
c1csc(CNc2ccc(OC3CCCCC3)cc2)c1	734847829	WVZABMJSONPSQY-UHFFFAOYSA-N	287.428	5.072	0	20	CKAD	
CC(C)c1ccc(CN[C@@H](C)c2cc3ccccc3[nH]2)cc1	775622571	XHGXDCXNDZIYFX-HNNXBMFYSA-N	292.426	5.142	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1c(F)cccc1F	19992611	HDLNZHQEFGYVJU-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1cccs1	20148324	IPSTXTKMFGDLNB-MNOVXSKESA-N	299.361	5.179	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)c1	37301608	OGYIUHALRXYBKC-CABCVRRESA-N	279.383	5.153	0	20	CKAD	
CCc1c([C@H](C)N[C@@H](C)c2ccsc2)oc2ccccc12	61360690	DYYOTFFYPRABFY-STQMWFEESA-N	299.439	5.469	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(C)c3ncccc23)cs1	381473090	LTGSHBSPVUZGNK-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
Cc1nc(SC(c2ccccc2)c2ccccc2)oc1C	514745443	RJPBOGDSWJMGLS-UHFFFAOYSA-N	295.407	5.173	0	20	CKAD	
CCC(CC)SCc1csc(-c2ccsc2)n1	521340881	DZTVPCCVCXIXIU-UHFFFAOYSA-N	283.487	5.293	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1ccc(F)cc1F	531713739	SQPLSIZDPVNXRT-LSDHHAIUSA-N	295.398	5.218	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccoc1)c1ccc(-c2ccccc2)cc1	675722950	SRRRMUQEUVEZIX-HOTGVXAUSA-N	291.394	5.358	0	20	CKAD	
CCCc1ccc(N[C@H](C)c2ccc(C(F)F)nc2)cc1	850448528	AXENXZFJCSCEQN-GFCCVEGCSA-N	290.357	5.145	0	20	CKAD	
Cc1ccc(C)c(NCc2ccccc2CC(F)(F)F)c1	864022553	QBDBBDIBEHWPLD-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)c1cccs1	37235521	AWBSKDQEHFWVLQ-DGCLKSJQSA-N	299.361	5.092	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccc(Cl)nc1	182697192	UAQRLSGJABMTSF-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
CCCc1nc(CSc2cccc(Cl)c2)cs1	303140455	PYXDQLMVBSJQCZ-UHFFFAOYSA-N	283.849	5.041	0	20	CKAD	
CC(C)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	437954881	OFTDIOXZNUQUBN-CQSZACIVSA-N	299.439	5.134	0	20	CKAD	
C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1cccc(F)c1	525757226	SBUVIMWXRNAENA-LLVKDONJSA-N	297.295	5.104	0	20	CKAD	
CC(C)c1nc(CS[C@H](C)c2ccc(F)cc2)cs1	604060723	UFNFGHRNEXNOHQ-LLVKDONJSA-N	295.448	5.400	0	20	CKAD	
C[C@H](SCc1cccc(Cl)n1)c1ccc(F)cc1F	743248377	AYRIGPDBRIIYQX-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CC[C@@H](SC[C@H]1CC1(Cl)Cl)c1ccccc1	747363881	MIJZQEDAVDSBJO-VXGBXAGGSA-N	275.244	5.065	0	20	CKAD	
CCc1noc(C)c1[C@H](C)Nc1cc(Cl)cc(Cl)c1	777707033	MKHRKNCABYUUQU-QMMMGPOBSA-N	299.201	5.025	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@H](C)c2cc3ccccc3s2)c1	285994986	IHLWMBJWVRVUBQ-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CC[C@@H](N[C@H](CC(F)F)c1ccccc1)c1ccsc1	421882338	RYPCXBDXRWYNAZ-HUUCEWRRSA-N	295.398	5.185	0	20	CKAD	
CC(C)(C)c1ccc(C(=O)Nc2ccsc2Cl)s1	438558596	RWHTUURXIXBRTB-UHFFFAOYSA-N	299.848	5.013	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(C)cc1)c1ccsc1	443085316	AZZLGZZBDLHOMT-WMLDXEAASA-N	273.445	5.249	0	20	CKAD	
CCC[C@@H](N[C@H](CC)c1cccs1)c1ccsc1	443094469	PBBZAUGJCACCIK-ZIAGYGMSSA-N	279.474	5.392	0	20	CKAD	
Cc1cnc([C@H](C)SC/C=C/c2ccc(Cl)cc2)o1	468653685	XGRIKPWVTHQWJN-PCAWENJQSA-N	293.819	5.144	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)CC2(C)CC2)c(C)c1	468937670	KDLCNMMLXFLWFR-CYBMUJFWSA-N	291.460	5.014	0	20	CKAD	
Cc1cc(NC(=O)c2sccc2C2CC2)ccc1C1CC1	475849164	DYYSTLUOLFYTQV-UHFFFAOYSA-N	297.423	5.064	0	20	CKAD	
CC(C)(C)CCCC(=O)Nc1ccc(Cl)cc1Cl	504451503	CKUJVJFQHMWUGM-UHFFFAOYSA-N	288.218	5.148	0	20	CKAD	
C[C@@H](CC(=O)N1[C@H]2CC[C@H]1c1ccccc12)C1CCCCC1	527270959	QNDHPOOLZOALGL-JVPBZIDWSA-N	297.442	5.011	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccon1)c1ccc(C2CCCCC2)cc1	543627380	VPBTXIOJIZYURV-HUUCEWRRSA-N	298.430	5.134	0	20	CKAD	
Cc1sccc1CNc1ccccc1CCC(F)(F)F	559282126	GVPGOMBZVRDUNK-UHFFFAOYSA-N	299.361	5.164	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(Cl)cc1	20000653	GDADFBKJGBIWTL-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1cccs1	36952013	CMVPBWYLDLFFMJ-GFCCVEGCSA-N	253.370	5.074	0	20	CKAD	
CC(C)(C)C[C@H](NCc1cccs1)c1ccccc1	37128491	UYPDFQUKSQFWKZ-INIZCTEOSA-N	273.445	5.015	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sccc21)c1cccc(Cl)c1	61325018	LWBYZRTWTDEJRC-NHYWBVRUSA-N	291.847	5.130	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2ccc3ccccc3c2)cs1	437649016	HEJQRXBHOSSQQK-LBPRGKRZSA-N	283.396	5.061	0	20	CKAD	
CCc1cccc(C)c1NC(=O)C[C@H](C)C1CCCCC1	508897245	JIDXLERUKMPYCO-HNNXBMFYSA-N	287.447	5.102	0	20	CKAD	
CC(C)C[C@H](NCc1ccccc1Cl)c1cccs1	521814695	QSRHADFQMVMJKO-HNNXBMFYSA-N	293.863	5.279	0	20	CKAD	
Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)c1ccoc1	556912022	ISZWJQQRTVWAFJ-INIZCTEOSA-N	298.430	5.142	0	20	CKAD	
CC(C)(C)Sc1ccc(NC(=O)C2(C)CCCC2)cc1	726760465	MHFVTORVAJKTDX-UHFFFAOYSA-N	291.460	5.096	0	20	CKAD	
C[C@@H](Nc1cccc(-c2nccs2)c1)c1cccc(F)c1	37778284	CXPCGIDGJIVIGY-GFCCVEGCSA-N	298.386	5.122	0	20	CKAD	
Cc1cc(C)c([C@H](C)N[C@@H](C)c2ccsc2)cc1C	61360902	IAPPHBQKONOBMP-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
Cc1cccc([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1	130195030	OFAQZRJHSNEQLS-INIZCTEOSA-N	295.426	5.169	0	20	CKAD	
C[C@@H](Nc1ccc(CCC(F)(F)F)cc1)c1cccs1	179605878	ZAHOXVGQVCHQMU-LLVKDONJSA-N	299.361	5.416	0	20	CKAD	
C[C@H](Nc1ccc(SC(C)(C)C)cc1)c1nccs1	183111488	ANGBBGIOHCKTGS-NSHDSACASA-N	292.473	5.207	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2csc(Cl)c2)c1	191475830	PUDOMSNVKISNJQ-QWRGUYRKSA-N	295.835	5.282	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)c1	474105931	LSMNSXIMQIVXIF-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
CC[C@H](NCc1cc2c(C)cc(C)cc2[nH]1)c1ccccc1	479542187	OJLLWLAQQOMYIH-IBGZPJMESA-N	292.426	5.026	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ncccc2C)C(C)C)cc1C	483156344	YPQLVJGGBDWGGE-MJGOQNOKSA-N	296.458	5.055	0	20	CKAD	
CC(C)CCCS[C@H](C)c1nnc(-c2cccs2)o1	540715899	UAYPWFYUVZLRAH-LLVKDONJSA-N	296.461	5.029	0	20	CKAD	
CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccsc2)c2ccccc21	669851037	SOJPOZMKLPJXKM-VHSSKADRSA-N	285.456	5.283	0	20	CKAD	
CCCCCCC(=O)CCCCCCCCCC(=O)O	2113930861	DMDAMYLZDHNINA-UHFFFAOYSA-N	284.440	5.121	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)o1	19917744	KZLOWRKEHQEDGR-WDEREUQCSA-N	298.213	5.307	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2ccccc2C)cc1	21510618	ZZJLEQMJOWGMMS-GJZGRUSLSA-N	285.456	5.129	0	20	CKAD	
C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)c1ccoc1	94868695	RHLOFRZOVJTTNS-RHSMWYFYSA-N	271.404	5.108	0	20	CKAD	
C[C@@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1	174353347	IINUBXBWEANTFT-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
Cc1nc(-c2cccc(N[C@H](C)c3cccs3)c2)oc1C	179614715	YGQFDLQCFVSFSY-GFCCVEGCSA-N	298.411	5.193	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccsc1	382190898	YYCSMZLOFKMACS-XHDPSFHLSA-N	279.836	5.203	0	20	CKAD	
FC1(F)CCC(c2csc(-c3cccs3)n2)CC1	430829796	HYZUZFHBASRTIU-UHFFFAOYSA-N	285.384	5.165	0	20	CKAD	
CCC(C)(C)NC(=O)Nc1c(C(C)C)cccc1C(C)C	472758873	ZWDAWPNJAKGLTN-UHFFFAOYSA-N	290.451	5.244	0	20	CKAD	
CC(C)(C)c1cnc(CSc2ccc(F)c(Cl)c2)o1	503139118	LQPCWCXUULNMON-UHFFFAOYSA-N	299.798	5.057	0	20	CKAD	
Cc1ccc2oc(S[C@@H](C)c3cccs3)nc2c1	737422420	FMQPQCOYWDPUFA-JTQLQIEISA-N	275.398	5.051	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1	36967379	JIHLWHCBGNNJLK-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1sccc1C)c1ccccc1	70090993	WYCYEHBWLYJKAV-GDBMZVCRSA-N	273.445	5.249	0	20	CKAD	
Cc1cc(C)c(NC(=O)/C=C/C2CCCCC2)c(Cl)c1	253462680	KYORRBNVKMGTDU-CMDGGOBGSA-N	291.822	5.032	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](c2cccs2)C2CC2)s1	480271311	ZADHJWIIADRDNT-MEDUHNTESA-N	291.485	5.174	0	20	CKAD	
Cc1oc(-c2cccs2)nc1CSc1cccs1	517622853	ROLUPMYTQUQZRX-UHFFFAOYSA-N	293.438	5.065	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@H](C)c1cccnc1	565910476	WBPVXWLMLBNZPX-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
CC(C)c1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1	43230361	HZQDZCNERMQYDV-HNNXBMFYSA-N	296.414	5.035	0	20	CKAD	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccsc1	61361690	HPVBACKVTUUFNO-RISCZKNCSA-N	299.361	5.092	0	20	CKAD	
C[C@H](N[C@H](C)c1c(F)cccc1Cl)c1cccc(F)c1	313586091	YNFKCHRYIFDSTG-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CCC[C@H](N[C@H](c1ccccc1)C1CC1)c1ccsc1	443088085	LYJYUAZLJVNZIQ-ZWKOTPCHSA-N	285.456	5.330	0	20	CKAD	
Cc1ccc(C)c([C@H](C)NCc2cc3cc(C)ccc3o2)c1	562903440	JHKQQTRKQBACLG-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H]2C[C@H](C)c3ccccc32)c1	584255865	ZOIDPBQEBSCKDW-KSMMKXTCSA-N	281.399	5.054	0	20	CKAD	
Cc1ccc(N(C)C(=O)Nc2c(C)cccc2C(C)C)cc1	847100199	HVSNHBLEGFSVME-UHFFFAOYSA-N	296.414	5.095	0	20	CKAD	
Cc1nc(-c2ccc(N[C@@H](C)c3ccccc3)cc2)cs1	20546550	KPUMTCGNCGSVMK-ZDUSSCGKSA-N	294.423	5.292	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccccc1Cl	20552942	RNHLRXSMHRSPTF-KGLIPLIRSA-N	273.807	5.060	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)c2ccco2)cc1	122132661	BCMRZGCYCQFICC-OXQOHEQNSA-N	291.394	5.028	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCc3cc(Cl)ccc32)s1	155872943	BGFSBKVDPGZQOE-XHDPSFHLSA-N	291.847	5.048	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H]2C[C@@H](C)c3ccccc32)cc1	313998446	YWOHGYDZINUVHI-TYILLQQXSA-N	297.467	5.308	0	20	CKAD	
COCc1ccc(N[C@@H](C)c2oc3ccccc3c2C)cc1	318913545	AGAVSBNJFSYVRZ-AWEZNQCLSA-N	295.382	5.061	0	20	CKAD	
Cc1ccc(CN[C@H](CCCC(C)C)c2ccccc2)cn1	346787983	BOFOQMIZYKLXEK-HXUWFJFHSA-N	296.458	5.047	0	20	CKAD	
C[C@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1	435920616	LWRUBBGOJILIIT-NSHDSACASA-N	279.305	5.111	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1ccc(Cl)cn1	480681301	MEUDFQBDPJZXFS-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccsc1)c1ccc(F)cc1F	484508372	OVYUGBGSSBYSHM-ZBEGNZNMSA-N	295.398	5.218	0	20	CKAD	
CC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1ccccc1F	495105709	CAZKRMYZQJHNEB-FZKQIMNGSA-N	287.378	5.096	0	20	CKAD	
CCC(CC)S[C@H](C)c1nnc(-c2ccc(C)cc2)o1	519964042	OMPVFXVKSFFLRA-GFCCVEGCSA-N	290.432	5.028	0	20	CKAD	
C/C=C/c1ccc(N[C@H](C)c2csc(C(C)C)n2)cc1	566027886	MJYWCSSWYJLOMW-URWSZGRFSA-N	286.444	5.473	0	20	CKAD	
CCC/C=C/C(=O)Nc1ccc(Oc2ccccc2)cc1C	731476082	TYGTZRKGBWEJFE-IZZDOVSWSA-N	295.382	5.082	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(C(C)C)cc2)c(C)s1	35252829	PLDILSSMWBWRNM-CQSZACIVSA-N	287.472	5.339	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccsc1)c1ccc(F)cc1	61116918	ARODRWUJGPDENM-MRXNPFEDSA-N	291.435	5.154	0	20	CKAD	
Cc1cnc([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)s1	134899045	ATQFWSYFHPRZNH-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H](C)c1cc2ccccc2o1	163306302	NEDMAJINAAHLJO-VXGBXAGGSA-N	299.336	5.205	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2cc3ccccc3s2)s1	169183080	STUQDBULQIUQSK-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccccc1OC(C)C	315660542	OOQVLPSVFOGFDJ-SJORKVTESA-N	297.442	5.194	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)s1	388348007	LDRKACSQJRBDEX-QWRGUYRKSA-N	297.826	5.261	0	20	CKAD	
Cc1cnc(-c2cccc(N[C@@H](C)c3cc(C)c(C)o3)c2)o1	502476468	MXLLLEWOXKCDOV-ZDUSSCGKSA-N	296.370	5.033	0	20	CKAD	
Cc1cccc(CNc2cccc(-c3nc(C)cs3)c2)c1	522617558	IEVDXDQHKAUFPX-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
C/C=C\C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	752472270	CNOQUUSLOAXNLJ-NMNMAYGDSA-N	297.423	5.055	0	20	CKAD	
CC(C)c1cnc(CS[C@H](C)c2cc(F)ccc2F)o1	754249113	CPNPXFGJVJOPEZ-SNVBAGLBSA-N	297.370	5.071	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@H](c2cccs2)C2CC2)c1	42330772	ZCOWACQZUZGFKT-KDOFPFPSSA-N	285.456	5.167	0	20	CKAD	
CC[C@H](N[C@H](C)c1sccc1C)c1ccc(C)cc1	70090921	OPVKBXJRYLDXOT-ZBFHGGJFSA-N	273.445	5.167	0	20	CKAD	
CCC(C)(C)CC(=O)Nc1ccccc1Cc1ccccc1	465053204	JBCRLQRQSZAJQR-UHFFFAOYSA-N	295.426	5.042	0	20	CKAD	
CC1(C)CCC[C@H]1C(=O)Nc1ccccc1-c1cccs1	475492770	MKPWXNVGZDNTKD-AWEZNQCLSA-N	299.439	5.180	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](C)c2nccc3ccccc23)cc1	580921603	SHYYDMXTBOOWAV-VFQAQYNWSA-N	288.394	5.441	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)c1C	604413320	IPHTXYCIUCYQOJ-HUUCEWRRSA-N	287.834	5.369	0	20	CKAD	
Cc1cc2cc([C@H](C)N[C@@H](C)c3ccsc3)oc2cc1C	669851106	VDCLBXMXPGMGTO-KBPBESRZSA-N	299.439	5.523	0	20	CKAD	
CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1c1cccs1	775641678	ASBSSWFEIIMYJA-CABCVRRESA-N	293.476	5.018	0	20	CKAD	
c1ccc2cc(CNc3ccc4occc4c3)ccc2c1	864018232	VFMBQNMVCFLFQF-UHFFFAOYSA-N	273.335	5.198	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1cc2ccccc2[nH]1	924592605	SMEWQZDSWRTAPY-KZULUSFZSA-N	296.439	5.031	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1cccs1)c1ccccc1	37128492	UYPDFQUKSQFWKZ-MRXNPFEDSA-N	273.445	5.015	0	20	CKAD	
Cc1c([C@H](C)Nc2ccc3ccccc3c2)cnn1C(C)C	191419420	DVQZWNVFYSSOBU-AWEZNQCLSA-N	293.414	5.099	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCc3ccc(C(C)C)cc32)o1	427871087	HSMLLMVCNRIGLG-KSSFIOAISA-N	283.415	5.050	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccsc1	443081968	XPTOWDQIEXQOFL-NHYWBVRUSA-N	295.398	5.218	0	20	CKAD	
CC[C@H](C)[C@H](NCc1ccc(C)o1)c1ccc(Cl)cc1	462755062	TVLWAYZFVIWGDR-SJCJKPOMSA-N	291.822	5.118	0	20	CKAD	
CCC[C@H](C(=O)Nc1c(C)cccc1C(C)C)C(C)C	484762616	XGQMJXYHEPQXTR-INIZCTEOSA-N	275.436	5.129	0	20	CKAD	
C[C@H](CCC(F)(F)F)N[C@H]1CCC[C@H](c2ccccc2)C1	488365727	JRDNJTJIPWBJES-KBMXLJTQSA-N	299.380	5.033	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)C2CCCC2)c(C)c1	499732502	PMOGQVWHYPNTRC-ZDUSSCGKSA-N	291.460	5.014	0	20	CKAD	
Cc1ccc(-c2nc(CSCc3ccccc3)co2)cc1	514705204	BSNTXKOQMVCKOA-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CCC[C@H](Nc1cccc(SCC)c1)c1cccnc1	541768156	MAHDMCYBAWYGDI-KRWDZBQOSA-N	286.444	5.147	0	20	CKAD	
CC[C@@H](CC(=O)Nc1cccc(C)c1C)c1ccc(C)cc1	606157104	MLOADQMCTHQECQ-KRWDZBQOSA-N	295.426	5.134	0	20	CKAD	
CC(C)c1cnc(CS[C@@H](C)c2ccc(Cl)cc2)o1	733208194	URTMFTUTRDILPD-NSHDSACASA-N	295.835	5.446	0	20	CKAD	
FC(F)c1ccc(CSCc2cccc(Cl)n2)cc1	763399851	ICAHUSQFYYZHRI-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C(C)=C(\C)CC	788489569	YSMPLSVGXXNKPQ-CCEZHUSRSA-N	287.447	5.447	0	20	CKAD	
C/C(=C/Cl)CSCc1ncc(-c2ccccc2C)o1	797809553	CERFYIRWQYFWOD-XFFZJAGNSA-N	293.819	5.026	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccn1)c1cccc2ccccc12	886790513	FBQLMMTWGOHGSJ-DNVCBOLYSA-N	290.410	5.037	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CC1CCCCC1	244270972	WOISWKCHTQULGO-UHFFFAOYSA-N	273.420	5.027	0	20	CKAD	
Cc1ccc(NC(=O)Nc2ccccc2C(C)C)c(C)c1	244310949	XDIXZIHZJZRZAF-UHFFFAOYSA-N	282.387	5.071	0	20	CKAD	
CC[C@H](Nc1ncc(Cl)s1)c1ccc(Cl)s1	309488263	WDQBORUKAVWDOR-LURJTMIESA-N	293.244	5.075	0	20	CKAD	
Cc1csc(C(=O)Nc2ccccc2-c2cccs2)c1	379282802	RIMCTHAUOVAXLI-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
CCc1cccc(C)c1NC(=O)C[C@@H](CC)c1ccccc1	504467104	JAJYYYKSXZMPGZ-QGZVFWFLSA-N	295.426	5.080	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H](C)C2CCCCC2)c(C)c1	508867756	DILISBWGJQYWRS-AWEZNQCLSA-N	287.447	5.157	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1	539608909	CDMAJTNJFCLQRO-INIZCTEOSA-N	288.394	5.230	0	20	CKAD	
CC(C)c1ccc(CSc2nncs2)c(C(C)C)c1	620040585	AOMHCMGOQWOWPJ-UHFFFAOYSA-N	292.473	5.077	0	20	CKAD	
CC(C)Sc1ccc([C@@H](C)N[C@@H]2CCC(F)(F)C2)cc1	679071091	CPHNHWUJMVWTRA-TZMCWYRMSA-N	299.430	5.026	0	20	CKAD	
C[C@H](Nc1cccc(SC(F)F)c1)c1cccs1	690199702	QHSIPYAKMVDWOK-VIFPVBQESA-N	285.384	5.236	0	20	CKAD	
Fc1ccc(OCc2ccccc2)c(-c2ccccc2)c1	1975556126	WBCBDXGYYCKPMV-UHFFFAOYSA-N	278.326	5.072	0	20	CKAD	
CC[C@@H](NCc1ccc(Cl)c(F)c1)c1ccc(C)cc1	43389387	IQFDUMSCHQIXHK-QGZVFWFLSA-N	291.797	5.028	0	20	CKAD	
CC(=O)c1cc(Cl)c(-c2ccc(C(C)(C)C)cc2)s1	98178922	ZXBLBBLQVWSYFD-UHFFFAOYSA-N	292.831	5.569	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C1CC1)c1cccc(F)c1	166491576	ZCUITDRVGKOOHL-MOPGFXCFSA-N	283.390	5.018	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1cccc(Cl)c1	386118854	BWVCZPKFJHGAMM-JTQLQIEISA-N	281.733	5.451	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1cccs1)CC2	427864476	FDGNFODHJIVQHJ-SUMWQHHRSA-N	285.456	5.210	0	20	CKAD	
CC(C)c1nc([C@H](C)Nc2cccc(Cl)c2)cs1	469784958	DWJAEKOIIWPXAI-JTQLQIEISA-N	280.824	5.093	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccco1	482549406	AXLCFYDLUBJOHZ-YVEFUNNKSA-N	289.806	5.125	0	20	CKAD	
C[C@@H](SC1CCCC1)c1nc2ccccc2n1C(F)F	590614294	FUTDRBRVGYJFPX-SNVBAGLBSA-N	296.386	5.168	0	20	CKAD	
CC[C@H](S[C@H](C)c1ccncc1)c1ccccc1	610708225	OLGRAQLBSJFNBD-CJNGLKHVSA-N	257.402	5.027	0	20	CKAD	
c1ccc2c(CSCc3cnoc3C3CC3)cccc2c1	611337862	CODCVOAEOFSSNR-UHFFFAOYSA-N	295.407	5.139	0	20	CKAD	
CCC[C@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2)cc1	642392141	SYIOPJPPNSYHBT-HNNXBMFYSA-N	296.414	5.006	0	20	CKAD	
C[C@@H](Nc1cccc(SC(F)F)c1)c1ccccc1	690200285	ISHBANQKKCSQTR-LLVKDONJSA-N	279.355	5.174	0	20	CKAD	
CC(C)CC[C@@H](NCc1ccoc1)c1ccc(Cl)cc1	727467395	VXDOHHPPJBWSGN-QGZVFWFLSA-N	291.822	5.200	0	20	CKAD	
Clc1ccc2c(n1)CC[C@@H]2Nc1cccc(C2CCC2)c1	812739672	XNVUIGAUIBQZJP-INIZCTEOSA-N	298.817	5.102	0	20	CKAD	
C[C@@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)c1ccoc1	883363920	RKWJNIPOYYMENL-RNCFNFMXSA-N	287.256	5.026	0	20	CKAD	
Cc1cc(CSC(c2ccccc2)c2ccccc2)no1	60980000	FTOFWKQLTNGJBC-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Cc1cccc(C(=O)Nc2ccccc2SC(C)C)c1C	472675888	GLQBCDAVKYNCMR-UHFFFAOYSA-N	299.439	5.056	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1ccc2[nH]c(C)c(C)c2c1	481422258	KFBVRLFKZQBRJW-AWEZNQCLSA-N	298.455	5.005	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1ccsc1Cl	611920104	XLOWNGBJSBVCHA-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
C[C@@H](Nc1nc2ccccc2o1)c1csc2ccccc12	729986252	IYRLTKPEBHAOHZ-LLVKDONJSA-N	294.379	5.216	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2csc3ccccc23)c(C)o1	774172979	SPFMDHRKUDQDBB-OLZOCXBDSA-N	299.439	5.523	0	20	CKAD	
C[C@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)c1ccoc1	883363921	RKWJNIPOYYMENL-TVQRCGJNSA-N	287.256	5.026	0	20	CKAD	
COc1ccc2cc(-c3ccc(Cl)cc3)ccc2c1	36532557	GAYKDWQALHEEGB-UHFFFAOYSA-N	268.743	5.169	0	20	CKAD	
C[C@@H](NC1c2ccccc2-c2ccccc21)c1ccsc1	61360756	WQXQUZMQGCTZTL-CYBMUJFWSA-N	291.419	5.169	0	20	CKAD	
C/C(=C\C(C)(C)C)C(=O)Nc1c(C)cccc1C(C)C	187665478	KTRNJGTXEYEWDU-SDNWHVSQSA-N	273.420	5.049	0	20	CKAD	
CC(C)(C)c1nc(CSCc2cccc(F)c2)cs1	302981807	PZZXAVFOXXJWNF-UHFFFAOYSA-N	295.448	5.013	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](c2ccccc2)C2CCC2)o1	482456221	RLPNSYBMGMGUSQ-IFXJQAMLSA-N	283.415	5.034	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)[C@@H](C)CCC(C)(C)C	541581101	COCWQCARCBOHIR-LBPRGKRZSA-N	281.827	5.049	0	20	CKAD	
C[C@H](SCc1nc2ccccc2s1)c1ccccc1	591008749	CRIZAOHOUNOAOW-LBPRGKRZSA-N	285.437	5.291	0	20	CKAD	
FC(F)c1cccc(CSCc2ccc(Cl)nc2)c1	794897477	JQCRNMPTXPUMRW-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc(C)sc2C)cc1	37122994	FMYGZWOUTFCBQQ-UONOGXRCSA-N	273.445	5.085	0	20	CKAD	
Cc1cscc1N[C@H]1CCCc2c1[nH]c1ccccc21	395742397	VFSPLLOYGOKIIW-HNNXBMFYSA-N	282.412	5.027	0	20	CKAD	
CCSCc1cccc(N[C@H](C)c2cccc(F)c2)c1	439594245	KFKNGSJKWSBTQI-CYBMUJFWSA-N	289.419	5.252	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccsc1)c1ccc(F)cc1F	484498411	KFKYUDVTNDUOGR-BDJLRTHQSA-N	295.398	5.074	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2ccc3nc(C4CC4)oc3c2)o1	539649633	CXRUROBWFYLFAQ-LLVKDONJSA-N	296.370	5.034	0	20	CKAD	
CC(C)(C)CCCCC(=O)N1CCC[C@@H]1c1cccs1	557356489	NPTIGLYBFHBTEW-CQSZACIVSA-N	293.476	5.018	0	20	CKAD	
Cc1noc([C@@H](C)S[C@@H](C)c2ccc(C(C)C)cc2)n1	612018721	WPENFQMBJZGQPP-NWDGAFQWSA-N	290.432	5.057	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CC1CCCCCC1	622410816	RTLFQFVZDAOTLQ-UHFFFAOYSA-N	287.447	5.417	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2c(Cl)cccc21)c1ccsc1	669850996	QYRCYTFKZSQLDV-BDJLRTHQSA-N	291.847	5.130	0	20	CKAD	
C/C(=C/C(=O)N[C@@H](C)c1cccc2ccccc12)C(C)(C)C	742483114	LJBIWPRNSCZJSN-PLFFATQSSA-N	295.426	5.009	0	20	CKAD	
CCc1noc(C)c1[C@H](C)Nc1ccc(C(C)(C)C)cc1	776784025	GAJWCUGKBROYGD-LBPRGKRZSA-N	286.419	5.016	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)o1	443224901	RDKSLDVKNPZSLE-QWHCGFSZSA-N	283.371	5.000	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1ccc(Cl)cn1	453297790	SBEIKEGWXVQWIJ-SNVBAGLBSA-N	296.748	5.020	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1nc2ccccc2o1	461099104	CTJJCCWOFVFSFK-CYBMUJFWSA-N	292.382	5.268	0	20	CKAD	
Cc1cc(NCc2cccc3cccnc23)ccc1C1CC1	478302674	AQMLHBOJWBFHKW-UHFFFAOYSA-N	288.394	5.033	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C[C@H]1C=CCCC1	487578035	AJUHHLGUCKELRY-INIZCTEOSA-N	299.458	5.618	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1ccoc1)c1cccs1	536860185	VUHVWDILYXYESP-WBMJQRKESA-N	277.433	5.169	0	20	CKAD	
C[C@H](CN[C@H](C)c1cc2ccccc2o1)Cc1cccs1	540699730	CUCXNLOOHDUNHF-UONOGXRCSA-N	299.439	5.024	0	20	CKAD	
CCCCCN(C(=O)[C@H](C)c1ccsc1)[C@H](C)CCC	606183604	HNHLLPMIOMYXLK-HUUCEWRRSA-N	295.492	5.059	0	20	CKAD	
CCc1c([C@@H](C)N[C@H](C)c2ccc[nH]2)oc2ccc(C)cc12	776171781	PYEHAAZAWAFCSJ-ZIAGYGMSSA-N	296.414	5.044	0	20	CKAD	
c1ccc([C@H](NCc2csc3ccccc23)C2CC2)cc1	49956382	FGTMHQVVNFMKOD-IBGZPJMESA-N	293.435	5.142	0	20	CKAD	
Cc1ccc2c(c1)Oc1sc(Cl)cc1C(Cl)=N2	95643002	PFBUFYHWZLKVOQ-UHFFFAOYSA-N	284.167	5.133	0	20	CKAD	
Cc1cccc([C@H](N[C@H](C)c2ccco2)C(C)(C)C)c1	484288777	DVWLSVOFWDOHRW-PBHICJAKSA-N	271.404	5.026	0	20	CKAD	
Cc1cscc1N[C@H](C)c1cccc(-c2ccncc2)c1	537449054	VZXUMFQNSFQMIC-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cc(C)c(C)cc1C)c1ccccn1	675816128	LMSRUBLTVZUUMY-XLIONFOSSA-N	296.458	5.199	0	20	CKAD	
Cc1cc(CN[C@H](C)c2ccc(F)c3ccccc23)c(C)o1	808437169	IFEQZSZAQLHSOM-CYBMUJFWSA-N	297.373	5.040	0	20	CKAD	
COc1ccc(N[C@H](C)c2ccccc2F)c2ccccc12	864020572	JRBYWTVRBLOPJT-CYBMUJFWSA-N	295.357	5.161	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccs1)c1ccc(Cl)cc1	21810768	BJCNDFSCBOMRHX-BXUZGUMPSA-N	279.836	5.203	0	20	CKAD	
C[C@H](Sc1ccnc2ccccc12)c1cccc(F)c1	111216847	XNQAUKVXTCEDFE-LBPRGKRZSA-N	283.371	5.227	0	20	CKAD	
C[C@H](NCCCCOC(C)(C)C)c1cccc2ccccc12	475331850	ZSWPHPZIKWDLNN-INIZCTEOSA-N	299.458	5.086	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCC2CC2)cc1	489481417	DXHAFJAMAHFFQZ-IBGZPJMESA-N	299.458	5.054	0	20	CKAD	
CCCc1nc(CSCCCCC(F)(F)F)cs1	507616298	JTEISTZHSDNHKY-UHFFFAOYSA-N	297.411	5.061	0	20	CKAD	
CC[C@H](NC(=O)Nc1c(C)cccc1C(C)C)C(C)(C)C	591834873	LVCQDLHDNUMUND-HNNXBMFYSA-N	290.451	5.065	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2ccccc2Cl)c1	602584629	GKRYETKWFYUEPO-QWHCGFSZSA-N	289.806	5.221	0	20	CKAD	
C[C@H](Nc1cccc(COc2ccccc2)c1)c1ccco1	776859239	SGCQAXCMKFOCHD-HNNXBMFYSA-N	293.366	5.032	0	20	CKAD	
CC[C@@H](C)N(C)C(=O)Nc1c(C(C)C)cccc1C(C)C	47325663	FFSDBKJEABPKKE-CQSZACIVSA-N	290.451	5.196	0	20	CKAD	
CC[C@H](c1ccccc1)S(=O)[C@H](CC)c1ccccc1	114569569	FAVMOPVFMUHGTI-QZTJIDSGSA-N	286.440	5.038	0	20	CKAD	
CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(Cl)s1	437110791	NQNQJFIVCYKESO-RKDXNWHRSA-N	299.789	5.029	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](C)c1c(C)cccc1C	574681034	HXIHKINRUUHXIB-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
Cc1c(Cl)cc(NCc2ncc(C(C)C)o2)cc1Cl	754302550	VCUNNAYCYRQFEH-UHFFFAOYSA-N	299.201	5.025	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccccc2C)c(C)s1	19991774	IYBPXBBWGUUGGU-ZIAGYGMSSA-N	273.445	5.085	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)c(C)c1	21503233	DOYRRCRJAXKTFD-ZDUSSCGKSA-N	291.341	5.078	0	20	CKAD	
Cc1c([C@@H](C)NCCCCC(F)(F)F)oc2ccccc12	130467374	SBPDRZHTEGTLQV-GFCCVEGCSA-N	299.336	5.124	0	20	CKAD	
Clc1ccc(CN[C@@H](c2ccccc2)C2CCC2)s1	237699231	YVSJYBIHCRFTIK-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
Cc1cc([C@H](C)Nc2cc(F)cc(Cl)c2)cs1	381762614	OVWYAOILMWDFEO-VIFPVBQESA-N	269.772	5.022	0	20	CKAD	
CC[C@H](N[C@H](c1ncccc1C)C(C)C)c1ccc(C)cc1	483145873	QTOJMDZNMJTEDN-OALUTQOASA-N	296.458	5.136	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2cccc(COC(C)C)c2)c1	608372982	GRKSGTRRYFQGRP-MRXNPFEDSA-N	283.415	5.093	0	20	CKAD	
C[C@H](Nc1cccc(C(C)(F)F)c1)c1cccc(F)c1	435942430	MXFPQJXPFFHBKB-NSHDSACASA-N	279.305	5.111	0	20	CKAD	
CSc1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1	450094930	ZBXFJDKPOJUWCS-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
C[C@@H](Sc1cccs1)c1ccc(Cl)cc1	522683860	ALRFMCMUTHOPAX-SECBINFHSA-N	254.807	5.255	0	20	CKAD	
Cc1nc(SCc2ccc(SC(C)C)cc2)oc1C	541898894	HUXBWXOBYKQECB-UHFFFAOYSA-N	293.457	5.084	0	20	CKAD	
CCC[C@H](Nc1cccc(O[C@H](C)CC)c1)c1ccccn1	556218445	UQCNEKPUMMSUBM-BEFAXECRSA-N	298.430	5.212	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@@H]1CCC[C@H]1c1ccccc1	565496645	FIMSYOJSFRIDNA-CWRNSKLLSA-N	299.380	5.033	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](CCC)c2cccnc2)cc1	568017334	ICWBYBUNTVHLCN-PXPSOEEZSA-N	266.388	5.068	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1ccc(Cl)s1	42330144	WFTNEUVHYLNKBT-OTYXRUKQSA-N	297.876	5.265	0	20	CKAD	
C[C@H](SCc1ncc(C(C)(C)C)o1)c1ccccc1F	61021552	LLPKEPRXBTZFNQ-NSHDSACASA-N	293.407	5.106	0	20	CKAD	
C[C@@H](N[C@H](CC1CCCC1)c1ccccc1)c1cccnc1	90765530	BJBZILVGWBYUHB-OXQOHEQNSA-N	294.442	5.054	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1ccsc1	121985174	JUDQZLSZAXNFEE-NWDGAFQWSA-N	287.453	5.375	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2ccc(Cl)s2)cc1	130354548	UYILTAMSZRUNRT-LLVKDONJSA-N	295.835	5.111	0	20	CKAD	
CC[C@@H](Nc1nccc2occc12)c1ccc(Cl)cc1	462927840	IGAMCJJQDFLZKY-CQSZACIVSA-N	286.762	5.044	0	20	CKAD	
Cc1cc(NCc2csc(C(C)C)n2)ccc1C1CC1	478350268	XEHVWKBBTBJPFO-UHFFFAOYSA-N	286.444	5.064	0	20	CKAD	
CCSc1ccccc1[C@@H](C)NCc1ccc(C)s1	480702570	IKVWFPXRXZLCBZ-CYBMUJFWSA-N	291.485	5.019	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2cc(C)c(C)o2)cc1	502407357	YBJYZMVDYCTZMG-QWHCGFSZSA-N	289.444	5.030	0	20	CKAD	
CC[C@H](C)C(=O)Nc1ccc(Sc2ccccc2)cc1C	512860130	HCBXULDPEMQPCK-ZDUSSCGKSA-N	299.439	5.131	0	20	CKAD	
c1ccc2c(c1)NCCC[C@@H]2Nc1csc2ccccc12	516116760	SZSHISIEISKTQC-INIZCTEOSA-N	294.423	5.260	0	20	CKAD	
CC(C)c1ccc([C@@H](N[C@H](C)c2cccnc2)C(C)C)cc1	538869586	CXGFJOVQYNZXQG-UZLBHIALSA-N	296.458	5.253	0	20	CKAD	
C/C=C(/CC)C(=O)Nc1c(CCC)cccc1C(C)C	588573355	CNTOETUSTQUFDB-AUWJEWJLSA-N	273.420	5.057	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@H](C)c2csc3ccccc23)c1	768216490	HTEHTMOTHNZALD-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CC/C(C)=C(/C)C(=O)Nc1ccccc1-c1ccccc1	779715273	KCJJTHGLWZOSJR-PFONDFGASA-N	279.383	5.039	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)c(F)c1	21020863	APCZNGCRZIFUMQ-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1cccnc1)c1ccccc1	37228982	VRNXXLMMLGOSOP-QFBILLFUSA-N	282.431	5.054	0	20	CKAD	
C[C@H](Sc1nccn1C1CC1)c1cccc2ccccc12	63536174	LDBULMSGIBOACV-ZDUSSCGKSA-N	294.423	5.225	0	20	CKAD	
C[C@@H](c1ccccc1Cl)N(C)CCCCC(F)(F)F	443625280	UDTLZAUEAYLLSB-NSHDSACASA-N	293.760	5.065	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)o1	482456220	RLPNSYBMGMGUSQ-AUUYWEPGSA-N	283.415	5.034	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1	657823729	AMTGNLKSJIDGSA-WMLDXEAASA-N	294.398	5.020	0	20	CKAD	
C[C@@H](NCc1ccc(-c2ccccc2)s1)c1cccs1	34996399	VXNTXHKYGJLKDM-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
CCCCCC[C@@H](C)Nc1ccc(NC(C)=O)c(Cl)c1	36983161	UJAXBSSTJAAYET-GFCCVEGCSA-N	296.842	5.069	0	20	CKAD	
CC(C)[C@H](NCc1csc2ccccc12)c1ccccc1	49943340	DQEPLAIWVJLZSD-IBGZPJMESA-N	295.451	5.388	0	20	CKAD	
Cc1cc(Nc2cc(C)c(C)c(C)c2)cc(C)c1C	90376806	HWQWQXRKGPBDLG-UHFFFAOYSA-N	253.389	5.281	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1cccnc1Cl	182498868	QSQMPXIWPGKPBK-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
O=C(/C=C/C1CCCCC1)Nc1cccc(Cl)c1Cl	253463913	QHBBIDZBVNOICK-MDZDMXLPSA-N	298.213	5.068	0	20	CKAD	
CCCC[C@H](NCc1cc(C)cs1)c1ccccc1	394213401	FXSQHOYNCUTHQU-KRWDZBQOSA-N	273.445	5.078	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccc1SC)c1cccs1	442787327	YEEMLTKFYKWRRB-OCCSQVGLSA-N	291.485	5.272	0	20	CKAD	
CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl	468888226	HVQQYBUUBAITGQ-UHFFFAOYSA-N	294.181	5.009	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)cc1	474101711	YQLHRHDZAVJEMX-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
CC(C)c1cccc(CN[C@@H](c2cccs2)C2CC2)c1	681398762	JRGURMNPRFKYCC-GOSISDBHSA-N	285.456	5.112	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](CC2CC2)c2ccccc2)c(C)o1	683693418	YHUOGRAWFXBNCS-AUUYWEPGSA-N	283.415	5.088	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(Cl)c2F)s1	775667446	RMXIMDFPVSPBNX-GHMZBOCLSA-N	297.826	5.261	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2cccnc2Cl)c1	776803787	WCMDBIVVEFTRCH-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccc(F)cc2C)c(C)s1	815555716	GMXHFMPEMDDUFR-OLZOCXBDSA-N	291.435	5.224	0	20	CKAD	
Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)oc1C	154525890	QVIZIESJQBNFGZ-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2oc3ccccc3c2C)cc1F	303365678	RBDKKHOZJZFTQQ-CQSZACIVSA-N	297.373	5.040	0	20	CKAD	
CC[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1cccs1	311889253	ONHWXPUOQYDLEK-ZWNOBZJWSA-N	297.826	5.343	0	20	CKAD	
CC[C@H](CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1	504453039	JVQDJWRXPAJHPI-QGZVFWFLSA-N	295.426	5.134	0	20	CKAD	
CC[C@H](NCc1cc2cc(C)ccc2o1)c1ccc(F)cc1	581280473	CLBYKGBOLVTKJA-SFHVURJKSA-N	297.373	5.121	0	20	CKAD	
C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cc2ccccc2s1	583911267	WAFZUSIWRYQTFY-DGCLKSJQSA-N	295.398	5.130	0	20	CKAD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1ccccc1F	732919049	XXASHGVDYSTSGH-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
CCCCN(C(=O)/C=C(\C)CCC)[C@H](C)c1ccc(C)o1	920219385	LOHGTNFGSDMKJY-FIFPYPGSSA-N	291.435	5.024	0	20	CKAD	
Cc1cc(C)c(NC(=O)CCC2CCCCC2)c(Cl)c1	14669576	HNPQRYAEHJWKAX-UHFFFAOYSA-N	293.838	5.256	0	20	CKAD	
CCCCc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1	15577372	LHYDPLAWQFBTER-UHFFFAOYSA-N	295.426	5.207	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccs1)c1ccc(Cl)cc1	21810766	BJCNDFSCBOMRHX-FZMZJTMJSA-N	279.836	5.203	0	20	CKAD	
CCC(CC)SCc1nc(-c2ccsc2)oc1C	524008051	XMMGMICEFFLFEY-UHFFFAOYSA-N	281.446	5.133	0	20	CKAD	
CC(C)c1ccc(C[S@](=O)[C@H](C)C(C)C)c(C(C)C)c1	610294484	ITVDGGCFOMLBNJ-QRWLVFNGSA-N	294.504	5.227	0	20	CKAD	
C[C@H](S[C@H](C)c1nc2ccccc2o1)c1cccs1	777933508	NVHGHODMRZIZQA-WDEREUQCSA-N	289.425	5.445	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccc1Cl)c1cccs1	20545566	JKNYVQCCEDUBGL-FZMZJTMJSA-N	279.836	5.203	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCSc3ccccc32)cc1C	37128056	XHDFBBHIEQGUBY-MAUKXSAKSA-N	297.467	5.191	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@@H](C)c1cccc(F)c1	37780605	SJESVRBQSBYFMK-AWEZNQCLSA-N	287.378	5.094	0	20	CKAD	
CC[C@H](NCc1ccc2ccccc2c1)c1cccs1	48416946	KWNVEYKFMLBLRF-KRWDZBQOSA-N	281.424	5.142	0	20	CKAD	
CC[C@H](Nc1ccc(C)c2ncccc12)c1ccsc1	382180901	XSNJFOGXRYQMNX-HNNXBMFYSA-N	282.412	5.168	0	20	CKAD	
CC(F)(F)c1cccc(N[C@H]2CCc3ccc(F)cc32)c1	435925547	YJALTPRKIHVMHB-INIZCTEOSA-N	291.316	5.037	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccccc2)C2CCC2)c(C)o1	447525925	AHHYLXAUXKMZBD-IFXJQAMLSA-N	283.415	5.088	0	20	CKAD	
O=C(CC1CCCCC1)N1CCCCC[C@@H]1c1ccccc1	519116949	UTUKYEPUHHUUJC-LJQANCHMSA-N	299.458	5.101	0	20	CKAD	
Cc1sccc1CN[C@H](C)c1ccc(F)c2ccccc12	559303939	MFFMZAMPLOXCDV-GFCCVEGCSA-N	299.414	5.200	0	20	CKAD	
Cc1ccc([C@@H](C)NC2(c3ccc(Cl)cc3)CC2)s1	561840659	ZMTHHWLOHHFBGE-GFCCVEGCSA-N	291.847	5.050	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@H](C)CC(C)C	589853901	HWBWFNCKNCRVSS-CQSZACIVSA-N	275.436	5.129	0	20	CKAD	
FC(F)(F)CCSCc1ccc2ccccc2c1	610140005	NFCZBQUBCTWAFK-UHFFFAOYSA-N	270.319	5.025	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)c(C)o1	44729507	KJNDOQPPETXMAC-MNOVXSKESA-N	295.785	5.101	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](C)c1ccccc1Cl	70089896	KGYZSSPFSHBAFC-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
CCC[C@H](C)CC(=O)Nc1ccccc1Cc1ccccc1	109703140	MDDKTNHNLHGTPQ-INIZCTEOSA-N	295.426	5.042	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1cccc(F)c1	121982988	PXARYABZGOVWPF-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
Cc1cc([C@H](C)NCc2cc(Cl)ccc2F)c(C)s1	125157120	OWJPYDYUAGRBGQ-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1ccco1)C(C)(C)C	484295227	UXHGBKTXFJDOFS-YOEHRIQHSA-N	271.404	5.026	0	20	CKAD	
CCC[C@H](Nc1csc2ccccc12)c1ccccn1	495403376	VBIFUOCXDPTDIN-HNNXBMFYSA-N	282.412	5.250	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc2nc(C3CC3)oc2c1	537449264	HDCFTEDJJDOTHM-LLVKDONJSA-N	298.411	5.248	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1cccc(F)c1	556038675	QSKWDUAKHGKYTL-ZIAGYGMSSA-N	283.390	5.115	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccccn1	675816582	PGWZLXOLDANKFT-PBHICJAKSA-N	294.398	5.020	0	20	CKAD	
Clc1cc(CC2CCCCC2)ccc1Br	709904765	JMFNBYVHWGFOAB-UHFFFAOYSA-N	287.628	5.225	0	20	CKAD	
CC/C(C)=C(\C)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	779865735	OXEKXALLQBCDFG-BUYIWHAFSA-N	299.414	5.089	0	20	CKAD	
Cl/C(=C\c1cccs1)c1nc2ccccc2s1	7907670	RLZBNMZMCLRDCX-NTMALXAHSA-N	277.801	5.095	0	20	CKAD	
Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1cccc(F)c1	37202761	FSDCPIWPFIAXOJ-JTQLQIEISA-N	292.423	5.061	0	20	CKAD	
Cc1cc(N[C@@H](C)c2ccc(C)s2)c2ccccc2n1	48738784	OEQSWDCYOQFINE-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
CC(C)c1ccc([C@@H](C)N[C@@H](C)c2ccsc2)cc1	50341858	CVKGYMJJDYVNOT-KGLIPLIRSA-N	273.445	5.283	0	20	CKAD	
Cc1cscc1CN[C@H](C)c1cccc2ccccc12	94878079	XOKXFBPZBLUTCN-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CSc1ccccc1[C@H](C)NC1(c2ccccc2)CCC1	442855100	LZCLOJJLGKFVIY-HNNXBMFYSA-N	297.467	5.139	0	20	CKAD	
C[C@@H](SCCc1ccccn1)c1cccc2ccccc12	516380987	SRRWAQARRJDPFF-OAHLLOKOSA-N	293.435	5.272	0	20	CKAD	
Cc1ncc(CS[C@H](C)c2ccc3ccccc3c2)s1	520992798	PNEROQYYYJHZLB-GFCCVEGCSA-N	299.464	5.599	0	20	CKAD	
Cc1ccc([C@@H](N[C@@H](C)c2sccc2C)C2CC2)cc1	532453747	LVABYNUBJRFAEF-WMLDXEAASA-N	285.456	5.167	0	20	CKAD	
Cc1cccc([C@@H](N[C@H](C)c2cnccc2C)C(C)(C)C)c1	536774303	WGZIHUBRQSSDEI-VQIMIIECSA-N	296.458	5.136	0	20	CKAD	
Cc1nc(C(C)C)sc1[C@H](C)Nc1ccc(F)c(F)c1	540746105	LKIPZBBVGAQIGT-VIFPVBQESA-N	296.386	5.026	0	20	CKAD	
C[C@@H](Nc1ccc(Cl)cc1)c1ccc2ccccc2n1	540750552	KABXRZVDRGXZJP-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1cccc(F)c1	219867571	PPOXPUOVIDEQPT-GJZGRUSLSA-N	293.385	5.391	0	20	CKAD	
CCc1ccc(CN[C@H](C)c2oc3ccccc3c2C)s1	224739233	KXEWWQMZHULPEU-CYBMUJFWSA-N	299.439	5.216	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2csc(C)c2)cc1	381327809	ANDDTTBIOBWGNG-QWHCGFSZSA-N	291.485	5.190	0	20	CKAD	
CC(C)C[C@@H](NCc1ccsc1)c1ccc(Cl)cc1	462720122	VLGPZGQAFSXWNC-MRXNPFEDSA-N	293.863	5.279	0	20	CKAD	
COc1ccc([C@@H](C)Nc2cccc(C)c2C)cc1Cl	507461582	UWYQCXAIKHCHKM-CYBMUJFWSA-N	289.806	5.139	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1ccc(F)cc1F)c1cccs1	531713738	SQPLSIZDPVNXRT-HUUCEWRRSA-N	295.398	5.218	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@H](c2ccccc2C)C(C)(C)C)c1	556868874	XDMJCYYYWMYNBK-QFBILLFUSA-N	296.458	5.136	0	20	CKAD	
FC(F)(F)c1cccc(CSc2cccs2)c1	599113379	IMZOQMGMIURHSK-UHFFFAOYSA-N	274.332	5.059	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1ccccc1-c1ccccc1	920217869	YAOIUXIRICYKGF-CCEZHUSRSA-N	279.383	5.039	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2Cl)o1	36960027	BBENEFLGSIZEBD-GHMZBOCLSA-N	298.213	5.307	0	20	CKAD	
Clc1ccc(CS[C@H]2CCCc3ccccc32)cn1	64331889	HOZRIWWOJWRWPO-HNNXBMFYSA-N	289.831	5.046	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2csc(Cl)c2)c(C)s1	230407673	YTBNPIJSSLPJBP-VHSXEESVSA-N	299.892	5.492	0	20	CKAD	
CC[C@@H](Nc1cccc2ccccc12)c1ccsc1	382109408	KOTHBKFWJPOMQP-MRXNPFEDSA-N	267.397	5.465	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1ccccc1F	386459949	SAZYOCBOKILTQD-LLVKDONJSA-N	271.360	5.214	0	20	CKAD	
Cc1cccc([C@@H](C)NCc2cccc(C(F)F)c2)c1C	470766707	RBRPTLAMCVXBAY-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
CCSc1ccccc1[C@H](C)NCc1ccc(C)s1	480702584	IKVWFPXRXZLCBZ-ZDUSSCGKSA-N	291.485	5.019	0	20	CKAD	
Cc1cc(NCc2ccc(C(F)F)cc2)c2ncccc2c1	525991088	JROROWIAUZTWJN-UHFFFAOYSA-N	298.336	5.093	0	20	CKAD	
CC[C@@H](S[C@H](C)c1ncc(C)o1)c1ccc(F)cc1F	538849819	VDWUFSXILAPFPA-QMTHXVAHSA-N	297.370	5.207	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc(C(F)F)c2Cl)o1	542665962	SLCQDPFXPLBRCS-VIFPVBQESA-N	285.721	5.352	0	20	CKAD	
C[C@H](Nc1cccc2cc[nH]c12)c1ccc(F)c(Cl)c1	547484323	CKLJBXIUHMPEGV-JTQLQIEISA-N	288.753	5.134	0	20	CKAD	
Cc1noc([C@H](C)S[C@H](C)c2ccc(C(C)C)cc2)n1	612018719	WPENFQMBJZGQPP-NEPJUHHUSA-N	290.432	5.057	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2cc(C)oc2C)cc1	36994483	ZWJUGCOYCVAXHI-STQMWFEESA-N	289.444	5.030	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CC2)s1	41204370	QIIHQUNTKGRFQI-FZKQIMNGSA-N	285.456	5.112	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cccc3ccccc23)cs1	381718010	JJSLUDNFJWQXLN-HUUCEWRRSA-N	295.451	5.622	0	20	CKAD	
CC[C@H](Nc1ccc(F)c(Cl)c1)c1ccsc1	382128261	OCZNMARIVIYZHR-ZDUSSCGKSA-N	269.772	5.104	0	20	CKAD	
CC[C@@H](C)C[C@@H](C)NC(=O)Nc1c(C)cccc1C(C)C	466165927	IPBOWENRZMELPL-UKRRQHHQSA-N	290.451	5.065	0	20	CKAD	
C[C@H](NCc1ccc2occc2c1)c1cc2ccccc2o1	510245638	VIBILNPDQSERDY-ZDUSSCGKSA-N	291.350	5.030	0	20	CKAD	
CC[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ccccc1	608376216	OLXYFXPIFDPFAQ-UXHICEINSA-N	279.427	5.269	0	20	CKAD	
CCCc1ccc([C@@H](C)N[C@H](CCC)c2ccccn2)cc1	675817115	RXCDYDRYOMPPIF-OXQOHEQNSA-N	296.458	5.226	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccc(Oc2ccccc2)cc1C	731465041	BNZFBHDWLDLCFJ-RIYZIHGNSA-N	295.382	5.082	0	20	CKAD	
CCC/C=C\C(=O)Nc1ccc(Oc2ccccc2)cc1C	731476083	TYGTZRKGBWEJFE-WDZFZDKYSA-N	295.382	5.082	0	20	CKAD	
CCOc1ccc(S[C@@H](C)c2nc3ccccc3o2)cc1	777913074	HZXHDEJYMVFRHJ-LBPRGKRZSA-N	299.395	5.080	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)c(C)s1	37070839	QGMKNZYXVZCYCA-OLZOCXBDSA-N	299.439	5.523	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1cccc(F)c1)c1ccccc1	37128455	VLKDRERXLRGKLE-GOSISDBHSA-N	285.406	5.093	0	20	CKAD	
Cc1cc(N[C@H](C)c2ccc(C)s2)c2ccccc2n1	48738782	OEQSWDCYOQFINE-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
Cc1cc(C)c(N(c2ccccc2)c2ccccc2)c(C)c1	90376277	TZJRFZZCRASCAW-UHFFFAOYSA-N	287.406	6.082	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2cccc(Cl)c2Cl)cc1	165149544	MYSXUCHVAMIRNA-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@@H](C)c2ccc(F)cn2)cc1	448022326	NJOWWJKXQOOQRW-ZDUSSCGKSA-N	286.394	5.081	0	20	CKAD	
Cc1cccc(C)c1CNc1ccccc1CC(F)(F)F	462170755	MKIFLBBQBCVICZ-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CC[C@@H](CC(=O)Nc1ccccc1C(C)C)c1ccccc1	504474421	VCOLBIIHBYNWCB-INIZCTEOSA-N	295.426	5.332	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H]1CCc2sc(Cl)cc21	517205329	STEPFKJMQUSRCA-ONGXEEELSA-N	297.876	5.110	0	20	CKAD	
CCC(CC)CC(=O)Nc1cc(C(F)F)ccc1Cl	520884265	QGBJBAUAGNTGMD-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2cccc(F)c2F)s1	539047189	TYRGAMZNKONCPI-WDEREUQCSA-N	295.398	5.001	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C3CC3)c2)s1	551008558	XICVQXJSVFUYCZ-UONOGXRCSA-N	285.456	5.346	0	20	CKAD	
C[C@H](S[C@@H](C)c1ccc(Cl)cc1)c1ccncc1	609484129	SVOLXUDRBSSKIN-RYUDHWBXSA-N	277.820	5.290	0	20	CKAD	
CC(C)c1nc(CSc2ccccc2Cl)cs1	642358202	BJIAODRZVDGFIE-UHFFFAOYSA-N	283.849	5.212	0	20	CKAD	
CC(C)(C)OCc1ccc(N[C@@H]2CCCc3occc32)cc1	683691825	AXZGPBOLRULPNL-QGZVFWFLSA-N	299.414	5.084	0	20	CKAD	
CC(C)c1ccc([C@@H](C)N[C@@H](c2ccccn2)C(C)C)cc1	766083563	XZJSSKQNLOGOOF-OXQOHEQNSA-N	296.458	5.253	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2cccc(CN(C)C)c2)cc1	863988543	UPRAHMOBPNRIHB-MRXNPFEDSA-N	296.458	5.045	0	20	CKAD	
CCCCCCc1ccc(Br)cc1Cl	1889470776	ZUHUGYVZUYUOPD-UHFFFAOYSA-N	275.617	5.225	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc3ccncc23)c(C)s1	131465125	ULTKSKLZENVSEP-GFCCVEGCSA-N	282.412	5.086	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)nc1)c1cccc(Cl)c1	303310001	RVNABYDKBJFLQT-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccsc1	382115830	LRJKATCQGRYUEN-NHYWBVRUSA-N	279.474	5.228	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ccncc1	467866513	ULOLXCSZZKMLIM-BEFAXECRSA-N	296.458	5.181	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1cncs1)c1cccs1	536859352	TZVPZSVNGJIBLD-NHYWBVRUSA-N	294.489	5.033	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2cccc(C)c2C)c1	540833001	NUVLCCGBDFVECV-CVEARBPZSA-N	283.415	5.184	0	20	CKAD	
Cc1ccc(-c2ccc(CN[C@H](C)c3ccsc3)o2)cc1	669830910	BMLRNXIXXHENLJ-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
CC(C)C[C@H](N[C@H](C)c1cccs1)c1ccccc1	21516377	NEFMAHAOWCEUSH-ZBFHGGJFSA-N	273.445	5.186	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccc(C)cc1)c1cccs1	37048048	VODRVINPHOYNCL-CVEARBPZSA-N	273.445	5.249	0	20	CKAD	
CCc1ccc(CN[C@@H](CC)c2ccc(Cl)cc2)s1	51717681	KCJOKZYPURBNSN-INIZCTEOSA-N	293.863	5.205	0	20	CKAD	
c1ccc([C@H](NCc2ccsc2)C2CCCCC2)cc1	57993283	BRMDAJYNTULIDJ-SFHVURJKSA-N	285.456	5.159	0	20	CKAD	
Cc1csc(CN[C@H](C)c2ccc3ccccc3c2)c1	379147591	UUMPCZHFIGUPOT-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CC[C@@H](N[C@H](c1cccs1)C1CC1)c1cccc(C)c1	514082796	IRZZJCKAWXXGHA-AEFFLSMTSA-N	285.456	5.249	0	20	CKAD	
CCCCCN(C(=O)c1cc2sccc2s1)C(C)C	518262804	GNKGDKTVVSCITF-UHFFFAOYSA-N	295.473	5.004	0	20	CKAD	
O=C(Nc1ccccc1-c1ccccc1)C1CCCCCC1	523551398	QJQQRIWVXUDASR-UHFFFAOYSA-N	293.410	5.263	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1	525761872	NDYMWVZGZYQZJY-ZDUSSCGKSA-N	289.806	5.050	0	20	CKAD	
C/C=C(/CC)C(=O)Nc1c(C(C)C)cccc1C(C)C	588571137	NYKICKFZBIETMH-AUWJEWJLSA-N	273.420	5.228	0	20	CKAD	
CC/C(C)=C(\C)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1	779865740	OXEKXALLQBCDFG-SZGUKTLCSA-N	299.414	5.089	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H]2CCc3cc(Cl)ccc32)o1	795381130	GFWLBQSPPGUJBH-IINYFYTJSA-N	293.819	5.118	0	20	CKAD	
CN(C(=O)Nc1ccc2ccccc2c1)C1CCCCCC1	915303293	OFDNKTOYSKQVFK-UHFFFAOYSA-N	296.414	5.026	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccccc1	19878195	NRWPJJFNHXBWDM-HOTGVXAUSA-N	275.395	5.252	0	20	CKAD	
Cc1cc(C)cc(NCc2cc3ccccc3nc2Cl)c1	45873933	OVQKOGBBMMEKFV-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
Cc1c(Cl)cccc1NC(=O)c1sccc1C(C)C	48876971	OZSZGYIIDDETDC-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(C(C)(F)F)cc2)cs1	453243115	RDJJPGGHWMNUGW-LBPRGKRZSA-N	295.398	5.019	0	20	CKAD	
C[C@@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccoc1	532543014	BYDBDGJFNQKLJM-FZKQIMNGSA-N	287.378	5.001	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2cccc(C)c2C)cc1	539653382	DFHFIQCLDJZAEF-INIZCTEOSA-N	283.415	5.013	0	20	CKAD	
CC(C)C[C@@H](N[C@@H](C)c1ccsc1)c1cccs1	540187808	FWVPWGCBKQTWPQ-GXTWGEPZSA-N	279.474	5.248	0	20	CKAD	
C[C@H](N[C@H]1CC[C@@H](C)c2ccsc21)c1ccsc1	651343741	RDNAPGUQQNTQPO-SUNKGSAMSA-N	277.458	5.099	0	20	CKAD	
CCc1nc2c(s1)[C@H](Nc1ccc(C3CC3)cc1)CCC2	679090490	UFFNTCBFLTVUBK-OAHLLOKOSA-N	298.455	5.072	0	20	CKAD	
FC(F)c1ccc(CNc2ccc(C3CC3)cc2)cc1	680850759	QFNGVJMNWBHUIE-UHFFFAOYSA-N	273.326	5.114	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccc1Cl)c1cccs1	20545567	JKNYVQCCEDUBGL-BXUZGUMPSA-N	279.836	5.203	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(Cl)s1	37075169	NOMPXUXFPPXTSH-ZBEGNZNMSA-N	291.847	5.203	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2cccs2)C2CC2)c(C)c1	42331327	RIKWPVHJIISIID-KBXCAEBGSA-N	285.456	5.167	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2ccccc2s1)c1cccc(F)c1	121983265	PXARYABZGOVWPF-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
Cc1cc([C@H](C)NCc2cccc(F)c2Cl)c(C)s1	166344703	ONYZZKOWNMNSRX-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
CC(C)C[C@@H](NCc1cccc2cc[nH]c12)c1cccs1	236623761	QFYJHCXLPDHZAO-MRXNPFEDSA-N	298.455	5.106	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)cc1	314170147	VBWYOSUTYFIPRV-SJORKVTESA-N	289.422	5.560	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)c(C)o1)c1ccc(Cl)s1	502721238	FSPFAYMZPCOTBO-JQWIXIFHSA-N	297.851	5.413	0	20	CKAD	
CSCc1ccc(N[C@@H](C)c2cccc(F)c2F)cc1	540835363	KKFKLLCGWFTGHC-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
CC(C)C[C@H](NCc1cc2ccccc2[nH]1)c1cccs1	675789854	LMBLVUJZWICYRJ-KRWDZBQOSA-N	298.455	5.106	0	20	CKAD	
CC[C@@H](C)CCCCC(=O)N1CCC[C@H]1c1cccs1	680019197	YPSPEUSIGIPSTM-CABCVRRESA-N	293.476	5.018	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H](C)c2ccsc2)oc2ccccc12	61361445	KHOQYEYGDCNGEN-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
CC[C@@H](NCc1cc2ccccc2s1)c1cccs1	237024904	VZEDGILSZSNTCL-CQSZACIVSA-N	287.453	5.204	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@H](CC)c2ccccc2)cc1	495432541	JECNRCOTHCCNDK-HNAYVOBHSA-N	299.483	5.601	0	20	CKAD	
CCCCCSCc1nc(-c2ccsc2)oc1C	522755268	CSYXXDANJNLHGS-UHFFFAOYSA-N	281.446	5.135	0	20	CKAD	
CC[C@H](NCc1cc(C)ccc1F)c1ccc(Cl)s1	523935937	PWNLWYPBDRFAMT-ZDUSSCGKSA-N	297.826	5.090	0	20	CKAD	
Cc1oc(-c2cccs2)nc1CSCCCCCF	571509070	UDTXAKSRRZFCLB-UHFFFAOYSA-N	299.436	5.085	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1sccc1Cl	798499697	GKRFBTJARQNFFU-UHFFFAOYSA-N	294.851	5.224	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccccc2)C2CC2)c(C)s1	37075049	IRKMGFGVYYFPSV-FZKQIMNGSA-N	285.456	5.167	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc(C)sc2C)c(C)s1	37122806	ADGPBICKDNFXSL-VXGBXAGGSA-N	293.501	5.455	0	20	CKAD	
CCC[C@H](NCc1ccc(C(F)F)cc1)c1ccsc1	187921475	APWAWFBNSFXYLO-HNNXBMFYSA-N	295.398	5.317	0	20	CKAD	
CC/C(=C/C(=O)Nc1c(C)cccc1C)c1ccc(C)cc1	303932513	VRLSUSVLKBPUNU-LGMDPLHJSA-N	293.410	5.044	0	20	CKAD	
Cc1ccccc1S[C@@H](C)c1ncc(C(C)(C)C)o1	476507809	LXSYCNBUVMNQNJ-LBPRGKRZSA-N	275.417	5.134	0	20	CKAD	
C[C@H](N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccco1	482549404	AXLCFYDLUBJOHZ-SJCJKPOMSA-N	289.806	5.125	0	20	CKAD	
C[C@@H](Sc1cccs1)c1ncc(-c2ccccc2)o1	525431586	QKJTZMFMKSOERC-LLVKDONJSA-N	287.409	5.256	0	20	CKAD	
C[C@H](S[C@H](C)c1cnccn1)c1cccc2ccccc12	545942428	KNCJGSLVVUMIRO-UONOGXRCSA-N	294.423	5.185	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](C)c2sc(CC)nc2C)cc1	562058581	WEQFVLSHDLIQGV-HWPRWLFBSA-N	286.444	5.220	0	20	CKAD	
O=C(Nc1cccc2ccccc12)c1ccc(C(F)F)cc1	588014371	QFBCUCVXFHZFDT-UHFFFAOYSA-N	297.304	5.030	0	20	CKAD	
Cc1cc(N[C@H](C)c2cccc(F)c2)ccc1OC(C)C	743480670	VELJQPCMFJNJMU-CQSZACIVSA-N	287.378	5.094	0	20	CKAD	
CCCCc1oc2ccccc2c1CNCc1cccs1	35112845	IHROUXJZTLOZRT-UHFFFAOYSA-N	299.439	5.127	0	20	CKAD	
CC/C=C(/C)C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1	64833506	OHTKDEMNLYDRBN-ODZYNRFZSA-N	299.458	5.004	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)c1ccncc1	120250972	UUFBUWDCOKUIKU-JXFKEZNVSA-N	294.442	5.054	0	20	CKAD	
Fc1ccc([C@@H](Sc2ccncc2)c2ccccc2)cc1	448111765	OVMRGLUFAWPOKF-SFHVURJKSA-N	295.382	5.102	0	20	CKAD	
CC[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1cccs1	479252658	KVVCUAUTBXEJNM-CABCVRRESA-N	291.847	5.130	0	20	CKAD	
CC[C@H](NCc1cc(C)cc(C)c1)c1ccc(Cl)s1	512244924	UJMNAJVCIGTPEV-AWEZNQCLSA-N	293.863	5.259	0	20	CKAD	
CC(C)C[C@@H](C)CC(=O)Nc1ccccc1-c1ccccc1	589854714	YTYZWJJUMZMOGL-MRXNPFEDSA-N	295.426	5.364	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1ccc(Cl)cc1)C1CC1	678996924	GQKRKJDBHUSKIS-AUUYWEPGSA-N	299.845	5.450	0	20	CKAD	
C[C@@H](OC(=O)CCC(C)(F)F)c1ccc(C(C)(C)C)cc1	750431022	WOFPVRXSGVXCQD-GFCCVEGCSA-N	298.373	5.024	0	20	CKAD	
C[C@H](NCc1ccc(CF)cc1)c1cc2ccccc2s1	754752062	HXOGNKPCWOWVAS-ZDUSSCGKSA-N	299.414	5.222	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)s1	49160435	DDCIRQVSRYWEJG-KGLIPLIRSA-N	299.439	5.523	0	20	CKAD	
Cc1ccc(C[C@@H](C)N[C@H](C)c2cc3ccccc3o2)s1	80242327	YSFUVFPVVCZGOV-TZMCWYRMSA-N	299.439	5.085	0	20	CKAD	
CC(C)(C)c1csc(CNc2ccc3ccccc3c2)n1	94963606	DZYRNJNMBYHHPE-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
Cc1cc(-c2ccc(Cl)c(C)c2)ccc1Cl	141654956	FCGYJGNGFZOXKM-UHFFFAOYSA-N	251.156	5.277	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(C)C	472683594	NCXXGBZBGAPDCZ-HNNXBMFYSA-N	289.463	5.383	0	20	CKAD	
C[C@@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1cccs1	484289904	CIOUOBGHLHEASE-WBMJQRKESA-N	291.435	5.325	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccsc1)c1ccc(Cl)s1	511019547	UDKJCHZYXPCKLK-ONGXEEELSA-N	285.865	5.265	0	20	CKAD	
CC[C@@H](NCc1ccc(C)c(F)c1)c1ccc(Cl)s1	512213297	NGCVYZJATYFMES-CYBMUJFWSA-N	297.826	5.090	0	20	CKAD	
C(=C/c1ccc2ccccc2n1)\c1coc(-c2ccccc2)n1	517622212	CDPLHZVIYUJVLG-OUKQBFOZSA-N	298.345	5.060	0	20	CKAD	
C[C@@H](SCCCCCF)c1ncc(-c2ccccc2)o1	580224518	PZOCXTWGERZNAD-CYBMUJFWSA-N	293.407	5.276	0	20	CKAD	
CC(C)(C)C[C@H](NCc1cccc(F)c1)c1ccccc1	37128454	VLKDRERXLRGKLE-SFHVURJKSA-N	285.406	5.093	0	20	CKAD	
CCC(CC)N(C(=O)c1ccoc1C)c1ccc(C)c(C)c1	63442294	DXRSIKNAFNGKDG-UHFFFAOYSA-N	299.414	5.040	0	20	CKAD	
CCc1ccc(NCc2cc3ccccc3nc2Cl)cc1	252012891	UAJGOHUZZKIFFP-UHFFFAOYSA-N	296.801	5.063	0	20	CKAD	
C[C@@H](Nc1cccc(CCC(F)(F)F)c1)c1ccccc1	531486450	VPIUNZOTCUBQNS-CYBMUJFWSA-N	293.332	5.355	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H](C)c2ccc3ccccc3c2)o1	537747635	DDOUIFPVVDJVFM-KGLIPLIRSA-N	297.423	5.692	0	20	CKAD	
CCOCc1ccc(N[C@@H](c2ccc(C)o2)C2CCC2)cc1	541767538	CYVHWFZYZRTEMS-LJQANCHMSA-N	299.414	5.078	0	20	CKAD	
Cc1ccnc([C@H](C)Nc2cccc(-c3cccs3)c2)c1	552070931	JHMILWLGKMEQRB-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C1CC1	678996927	GQKRKJDBHUSKIS-LIRRHRJNSA-N	299.845	5.450	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(C3CCC3)cc2)c(C)n1	683821875	LSYMEGJRFNILPK-HNNXBMFYSA-N	280.415	5.139	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1cscn1)c1ccccc1	697866224	PQCGHSZQYLMJLK-HOCLYGCPSA-N	288.460	5.115	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccc(Oc2ccccc2)cc1C	731465043	BNZFBHDWLDLCFJ-ZSOIEALJSA-N	295.382	5.082	0	20	CKAD	
Cc1nc2c(s1)[C@@H](Nc1ccc3ccccc3c1)CCC2	776782389	KFZICBZKQYKCQW-KRWDZBQOSA-N	294.423	5.094	0	20	CKAD	
CCCC[C@H](CC)COc1cccc(Br)c1	34498794	MQFWLOHSUXANDI-LBPRGKRZSA-N	285.225	5.044	0	20	CKAD	
Clc1sc(-c2ccccc2)nc1-c1ccccc1	98178959	GVCVYXFKYBNGRU-UHFFFAOYSA-N	271.772	5.131	0	20	CKAD	
FC(F)c1cccc(CNc2cccc3ccsc23)c1	386222509	KERJATUUCQVXKW-UHFFFAOYSA-N	289.350	5.451	0	20	CKAD	
CC[C@H](N[C@H](c1cccs1)C1CC1)c1cccc(F)c1	446748309	NKYYOIARBBQOHZ-RDJZCZTQSA-N	289.419	5.079	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2ccc(SC(C)C)cc2)cc1	504039206	ZQSMHJRMOXVJOS-INIZCTEOSA-N	299.483	5.346	0	20	CKAD	
Cc1ccc2oc(C(=O)Nc3ccccc3C(C)C)cc2c1	517169864	FUZJTDSSJWCFGD-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
C[C@@H](SCC1CCOCC1)c1cccc2ccccc12	522972275	YVWQRTATPQHZDU-CQSZACIVSA-N	286.440	5.061	0	20	CKAD	
CC[C@@H](NC1(c2cccc(Cl)c2)CC1)c1cccs1	540752058	PKRWDTWNKNXAEW-CQSZACIVSA-N	291.847	5.132	0	20	CKAD	
C[C@@H](N[C@@H]1CSc2ccccc21)c1cccc(C2CC2)c1	556094375	SQUZHXXCFKTXKD-FZKQIMNGSA-N	295.451	5.062	0	20	CKAD	
C[C@@H](Sc1nc2ccccc2s1)c1cccs1	737421842	ACZZLRAOQPJQPM-SECBINFHSA-N	277.439	5.211	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)Nc1c(F)cccc1Cl	753473412	WKEFGDWKHSBRAN-LLVKDONJSA-N	285.790	5.024	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)c1cccc2ccccc12	5756065	FPYRZYYGNYZAIY-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
CC[C@@H](N[C@H]1CCCc2occc21)c1cccc(Cl)c1	20009513	IWWAGVJIXPTMJZ-CVEARBPZSA-N	289.806	5.051	0	20	CKAD	
CCCCN(CC)C(=O)Nc1ccccc1-c1ccccc1	195579836	IBZCIQXNMPLCEU-UHFFFAOYSA-N	296.414	5.008	0	20	CKAD	
C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1	313708611	UBUIHCFFMGHDQY-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
Cc1ccc2cccc(N[C@H](C)c3csc(C)c3)c2n1	381476936	MUQPSAJFMWVZAZ-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
CC[C@H](N[C@@H]1CCSc2ccccc21)c1ccsc1	382097553	IMRAGIQCACHRTB-LSDHHAIUSA-N	289.469	5.026	0	20	CKAD	
CC(=O)c1cccc(N[C@@H](C)c2cccc3ccccc23)c1	516836878	CLMZIFVRQZYFJW-AWEZNQCLSA-N	289.378	5.216	0	20	CKAD	
CCc1ccc([C@@H](CC)N[C@@H](C)c2ccncc2CC)cc1	537013088	QJIYRNJGLNETLV-MGPUTAFESA-N	296.458	5.008	0	20	CKAD	
CCC[C@@H](Nc1csc2ccccc12)c1cccnc1	543599516	YBKNVMMXXPNGPD-OAHLLOKOSA-N	282.412	5.250	0	20	CKAD	
CC(C)c1cnc(CS[C@H](C)c2c(F)cccc2F)o1	733208126	RJHOVSGFXAZQGV-SNVBAGLBSA-N	297.370	5.071	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1nccs1	80263209	KKCFQGPKCZXTQQ-SUMWQHHRSA-N	296.439	5.098	0	20	CKAD	
CSc1ccc(N[C@@H](C)c2csc(Cl)c2)cc1	230411493	PMNATNZFCXLYKA-VIFPVBQESA-N	283.849	5.297	0	20	CKAD	
CCOc1ccc([C@@H](C)NCc2ccc(C(C)C)cc2)cc1	315580806	QPRJATVDGRRAEA-MRXNPFEDSA-N	297.442	5.060	0	20	CKAD	
Cc1c([C@@H](N[C@H](C)c2ccco2)C(C)C)oc2ccccc12	482875850	SUYASPYZYDVIMC-KDOFPFPSSA-N	297.398	5.382	0	20	CKAD	
Cc1cccc(CN[C@H](C)c2oc3ccccc3c2C)c1C	513098132	BNKIPOLXFBBZKD-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccc(F)cc1)c1cccs1	521827455	JRJVRMRPYXXJKA-QGZVFWFLSA-N	291.435	5.154	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@@H](CC(C)(C)C)c1ccccc1	538986931	JALOYZHRSBVYKF-LPHOPBHVSA-N	296.458	5.218	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1ccnc(Cl)c1	777706885	FPILGDPGZLIFBI-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CCCCN(CCCC)C(=O)Nc1cccc(C(F)F)c1	513912790	ICCHQOXGCWWKAE-UHFFFAOYSA-N	298.377	5.058	0	20	CKAD	
COc1c(Cl)cccc1N[C@H](C)c1ccccc1Cl	516837868	ASZGDHDKDRHZCM-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
CCC[C@@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2)cc1	642392142	SYIOPJPPNSYHBT-OAHLLOKOSA-N	296.414	5.006	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@H](C)c1csc2ccccc12	772452855	AIBSKYSOHCDTBU-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Clc1ccc2c(n1)CC[C@H]2Nc1cccc(C2CCC2)c1	812739673	XNVUIGAUIBQZJP-MRXNPFEDSA-N	298.817	5.102	0	20	CKAD	
Cc1nc([C@H](C)Nc2cccc(C(C)C)c2)c(C)s1	20562865	WFQFSBQGTAYVHI-NSHDSACASA-N	274.433	5.056	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cc(C)c(C)cc2C)c(C)s1	35252934	BUXUBOURIBPVJT-OAHLLOKOSA-N	287.472	5.141	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)c1	96497080	VYXNAVMWPLTXDX-GJZGRUSLSA-N	287.834	5.369	0	20	CKAD	
CC1(C)CCC(C)(C)c2cc3c(cc21)Cc1ccccc1-3	196768498	ZWUALWBJXYMBEQ-UHFFFAOYSA-N	276.423	5.607	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1ccc(F)cc1	314412769	WHYGJOMGSKSKBW-LSDHHAIUSA-N	293.385	5.391	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)s1)c1ccc(Cl)s1	532500038	YMKKZTZEJPSTFK-GHMZBOCLSA-N	299.892	5.573	0	20	CKAD	
C[C@@H](Nc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1	538510599	XJDZRXPSZIOACY-CQSZACIVSA-N	292.357	5.061	0	20	CKAD	
CC(C)C[C@H](NCCCCC(F)(F)F)c1cccs1	543487941	XDUFLKSJVQPXRB-LBPRGKRZSA-N	293.398	5.158	0	20	CKAD	
Cc1ccc(C)c(N(C(=O)c2occc2C(C)C)C(C)C)c1	556356811	UFDBQIWQJBSNAD-UHFFFAOYSA-N	299.414	5.075	0	20	CKAD	
C/C=C\c1ccc(N[C@H](C)c2sc(CC)nc2C)cc1	562058583	WEQFVLSHDLIQGV-SMYYYNMVSA-N	286.444	5.220	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(F)cc1	606467804	HZXZZTMBAZULIR-HNAYVOBHSA-N	285.406	5.244	0	20	CKAD	
CCC(CC)(CC)NC(=O)Nc1c(C)cc(C)cc1Cl	608264419	IEPHIWVTSBIAHY-UHFFFAOYSA-N	296.842	5.047	0	20	CKAD	
CCCCN(C(=O)Nc1ccccc1)[C@H](C)c1ccccc1	613387415	FTSORJNUPWAVLQ-MRXNPFEDSA-N	296.414	5.082	0	20	CKAD	
CCCC(=CC(=O)Nc1c(C)cccc1Cl)CCC	770742027	QZAGXBGLDGYFKP-UHFFFAOYSA-N	279.811	5.114	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2cccc(N3CCCCC3)c2)o1	776869966	NMGGMPSTLATPKL-OAHLLOKOSA-N	298.430	5.005	0	20	CKAD	
CC(C)C[C@@H](N[C@@H](C)c1cccs1)c1ccccc1	21516374	NEFMAHAOWCEUSH-GOEBONIOSA-N	273.445	5.186	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(Cl)c(Cl)c2)cc1	37770164	ISCFHTDZJJSKMC-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
C[C@H](Nc1ccc2[nH]ccc2c1)c1cccc2ccccc12	386922231	LITGKMCCSLYVCH-AWEZNQCLSA-N	286.378	5.494	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)oc1C	502371507	HXFGBDKHCWWGGI-ZIAGYGMSSA-N	297.398	5.363	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1CCC[C@H](C)C1	504351095	WHUIULPBENAKKY-GOEBONIOSA-N	287.447	5.273	0	20	CKAD	
CCc1cccnc1[C@H](C)N[C@@H](CC(C)C)c1ccccc1	507491362	BLBJHAXFPCLDIY-LPHOPBHVSA-N	296.458	5.082	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2ccccc2Cl)cc1	525249016	OJUPOXNWTIDNKJ-CYBMUJFWSA-N	289.806	5.050	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCN2C(=O)CC2CCCC2)cc1	536291495	OYJOAXCOHPKNSZ-LJQANCHMSA-N	299.458	5.054	0	20	CKAD	
C[C@H](NCCC(F)(F)F)c1ccc(-c2ccccc2)s1	544577612	LUGQYIOQZWYECW-NSHDSACASA-N	299.361	5.018	0	20	CKAD	
C/C=C\c1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1	558256661	OGQPDJSHQMKDHX-OMVNSRBRSA-N	295.430	5.204	0	20	CKAD	
CCC(CC)N(C(=O)Nc1cccc2ccccc12)C1CC1	591087219	WEQZZGGZZFNXMI-UHFFFAOYSA-N	296.414	5.025	0	20	CKAD	
CCC(CC)(NCc1cccs1)c1ccc(Cl)cc1	605437176	KDMQKOKMINGDES-UHFFFAOYSA-N	293.863	5.207	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CC(C)(C)C	614495897	ULPSTSHRNSZINS-CQSZACIVSA-N	289.463	5.519	0	20	CKAD	
Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)[nH]1	642177750	SAVWULQSEHORGE-UHFFFAOYSA-N	298.430	5.131	0	20	CKAD	
CC[C@@H](C)CCCCC(=O)N1CCC[C@H]1c1ccsc1	680024441	INGYTKJGFMJYAA-ZBFHGGJFSA-N	293.476	5.018	0	20	CKAD	
CCc1ccc(CNc2ccccc2NC(C)(C)C)s1	798500129	QJQLNXTXFSZWJR-UHFFFAOYSA-N	288.460	5.133	0	20	CKAD	
CC(C)C[C@H](N[C@@H](C)c1cccs1)c1ccccc1	21516375	NEFMAHAOWCEUSH-HOCLYGCPSA-N	273.445	5.186	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)/C=C\c1ccco1	33860223	AZHVHOCIAWCTPY-KHPPLWFESA-N	297.398	5.178	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)s2)cc1	36958464	AUJUYOHDKMHKBO-KGLIPLIRSA-N	273.445	5.031	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2ccccc2s1)c1ccccc1	126636873	KDWIHOXOZIYHHU-KBPBESRZSA-N	281.424	5.313	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccncc1	177368920	ODDHDAWWAMJSHG-MGPUTAFESA-N	290.410	5.037	0	20	CKAD	
CC(C)C[C@H](NCc1cccc2[nH]ccc12)c1ccccc1	236649936	COTZOXRZAZVHGT-FQEVSTJZSA-N	292.426	5.045	0	20	CKAD	
Cc1nc([C@@H](C)Nc2cccc3ccsc23)c(C)s1	386313212	BMLFRUYFLSGWFV-SECBINFHSA-N	288.441	5.148	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(C)cc1)c1ccsc1	443085317	AZZLGZZBDLHOMT-YOEHRIQHSA-N	273.445	5.249	0	20	CKAD	
CCc1cccnc1[C@@H](C)Nc1cccc(C2CCC2)c1	462939108	DZTZYSGRIAJWNW-CQSZACIVSA-N	280.415	5.085	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@@H](CC(C)(C)C)c2ccccc2)c1	467751165	FKYWPFUCAPPRLY-APWZRJJASA-N	296.458	5.218	0	20	CKAD	
CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1ccc(F)cc1	537529979	JCXZVEPCIOXLDS-ACJLOTCBSA-N	287.378	5.096	0	20	CKAD	
CCc1nc(C)c([C@@H](C)Nc2ccc(C3CC3)cc2)s1	679091091	XVBUGEAMBRLYAQ-LLVKDONJSA-N	286.444	5.064	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1)c1csc2ccccc12	732918541	MMYVNVVZQQVBPZ-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
Cc1ccc(N[C@H](C)c2cnc3ccsc3c2)c(C)c1	68690306	DQQWLTYTTOGOIX-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)CC(F)F	413209083	UGPACKINBVYZQA-GFCCVEGCSA-N	297.389	5.163	0	20	CKAD	
C[C@H]1C[C@H]1c1ccc(CNc2cccc(C(C)(F)F)c2)o1	436413710	UNYHDTLHOYGZGV-XHDPSFHLSA-N	291.341	5.127	0	20	CKAD	
CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1cccc(F)c1	446748308	NKYYOIARBBQOHZ-NVXWUHKLSA-N	289.419	5.079	0	20	CKAD	
C[C@@H](Nc1cnn(C(C)(C)C)c1)c1cc2ccccc2s1	446889880	CUFQQMLOUWAZSQ-GFCCVEGCSA-N	299.443	5.026	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@@H](C)c2cncc(F)c2)cc1	448022776	PTGBHHRAMSULBN-ZDUSSCGKSA-N	286.394	5.081	0	20	CKAD	
CC[C@@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C	479656931	HEPDEFJBGDKHQV-CQSZACIVSA-N	275.436	5.308	0	20	CKAD	
CCc1cccc(NC(=O)c2sccc2C2CC2)c1CC	489625157	POFWIGUXHIXLLB-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
CC[C@H](SCc1csc(C)n1)c1ccc(F)cc1F	523391789	JXMXATBGLHMMKB-AWEZNQCLSA-N	299.411	5.114	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc3ccncc3s2)cc1	657846831	SWDCJPALQJPKGW-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc2ccccc2[nH]1)c1ccc(C)cc1	775626111	HWXJVFCZHPISOK-CRAIPNDOSA-N	292.426	5.278	0	20	CKAD	
CC[C@@H](C)Oc1ccc(N[C@H](C)c2ccc(C)nc2C)cc1	776867939	FOKMCCUCQUDRET-GDBMZVCRSA-N	298.430	5.049	0	20	CKAD	
FC(F)c1cccc(-c2nc(C3CCCCCC3)no2)c1	904680247	RMUPEBAJXOYELE-UHFFFAOYSA-N	292.329	5.112	0	20	CKAD	
Fc1cccc(/C=C(\Cl)c2nc3ccccc3s2)c1	7907716	ZWDIIDZIBAXHBR-XFXZXTDPSA-N	289.762	5.172	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCc2occc21)c1cccc(Cl)c1	20009507	IWWAGVJIXPTMJZ-HZPDHXFCSA-N	289.806	5.051	0	20	CKAD	
c1ccc([C@H](NCc2cccs2)C2CCCCC2)cc1	21815660	HCDOLRUCXFQFOG-SFHVURJKSA-N	285.456	5.159	0	20	CKAD	
CC[C@@H](Nc1cccc(COCC2CC2)c1)c1ccccc1	303527196	QNQGSMVPBNNJLW-HXUWFJFHSA-N	295.426	5.176	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2cccc(F)c2)C(C)(C)C)o1	484307375	YBJAWBOXWJSFJS-SUMWQHHRSA-N	289.394	5.165	0	20	CKAD	
Cc1ccc(Cl)cc1C(=O)Nc1ccccc1C(C)C	509699090	PRGDFYGBWOYNDO-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
Cc1cccc(C(=O)Nc2cccc3ccccc23)c1Cl	533645729	FAZZYWIUCWLKSG-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(C3CC3)c2)s1	551008555	XICVQXJSVFUYCZ-KGLIPLIRSA-N	285.456	5.346	0	20	CKAD	
C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccsc1	551573660	YAIJMIPELBQVJG-LBPRGKRZSA-N	291.847	5.132	0	20	CKAD	
Cc1ccc(-c2ccc(CN[C@@H](C)c3ccccc3)o2)cc1	409615425	JZVUWARURMPNPQ-INIZCTEOSA-N	291.394	5.106	0	20	CKAD	
CC(C)[C@@H](C)C(=O)N(c1ccccc1)[C@H](C)c1ccccc1	497829985	ASDWRBNVYLZRLB-IAGOWNOFSA-N	295.426	5.073	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3s2)oc1C	502433853	JFFFSIHUXXWZHN-OLZOCXBDSA-N	299.439	5.523	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(Cl)c2ccccc12)c1ccoc1	545200854	SPKJNZKPGBLKPY-STQMWFEESA-N	299.801	5.498	0	20	CKAD	
CCSc1cccc(N[C@H]2CCCNc3ccccc32)c1	554857795	XVSMWCIDZLULGY-SFHVURJKSA-N	298.455	5.158	0	20	CKAD	
Cc1cc(/C=C(\Cl)c2nc3ccccc3o2)ccc1F	729150297	MPDKNZGYJXSTLN-XFXZXTDPSA-N	287.721	5.012	0	20	CKAD	
C[C@@H]1C[C@@H]1c1ccc(CNc2ccccc2NC(C)(C)C)o1	798500406	NSEBFHCVLWDQGR-HIFRSBDPSA-N	298.430	5.226	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1ccc(C)cc1C	46416114	HQGZNXYVAHUFGA-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
CCCc1ccccc1NC(=O)c1sccc1C(C)C	119562176	CNTTULWQMABIQR-UHFFFAOYSA-N	287.428	5.076	0	20	CKAD	
CC(C)Oc1ccccc1NCc1ccc(C(F)F)cc1	131348902	SREBLXDVRHOTCP-UHFFFAOYSA-N	291.341	5.024	0	20	CKAD	
CCCOc1cccc(N[C@H](C)c2csc(C)c2)c1	381615555	QDDMFNNIFVDGLF-CYBMUJFWSA-N	275.417	5.018	0	20	CKAD	
Cc1ccc(C)c(NCc2csc(C3CCCC3)n2)c1	444423008	OTACZSAUGJRHMZ-UHFFFAOYSA-N	286.444	5.030	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C1CCCC1)c1ccncc1	453094071	WVFHZURJQHHNAX-VQTJNVASSA-N	294.442	5.054	0	20	CKAD	
C[C@@H](SCc1ccccn1)c1ccc(Cl)c(Cl)c1	463201308	LFGDREBXEXZWLR-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CCc1ccccc1N[C@H](C)c1csc(C(C)C)n1	469788686	VRGHKJBONAKCQI-GFCCVEGCSA-N	274.433	5.002	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1ccc2c(c1)CCC2	480276451	HPKZFVJGYVMCOK-YJYMSZOUSA-N	297.467	5.039	0	20	CKAD	
Cc1cccc(SCc2ncc(-c3ccccc3C)o2)c1	534527996	ZXOHPMYFCMUQOL-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2cccc(-c3ccncc3)c2)c1	540708753	CASBEOSCAQAPLV-INIZCTEOSA-N	288.394	5.230	0	20	CKAD	
C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(C2CC2)c1	551013493	CJYNSGBHQCNPPQ-XCLFUZPHSA-N	295.401	5.041	0	20	CKAD	
c1cncc(Oc2ccccc2CSc2cccs2)c1	599113298	ASVBVUFQHCWQOS-UHFFFAOYSA-N	299.420	5.228	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1cccc(Cl)c1	19232505	OMJRKZIXPFIUTM-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](c2cccs2)C2CC2)cc1	42329899	MNNNYYAGDUNZHZ-UGSOOPFHSA-N	285.456	5.112	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1ccoc1)c1ccccc1	94868596	UXJSPPHPLKJXRW-KSSFIOAISA-N	271.404	5.108	0	20	CKAD	
CCC(CC)(CC)[S@@](=O)[C@@H]1CCc2c(Cl)cccc21	431210023	QZACPZIBJHOYRS-BEFAXECRSA-N	298.879	5.045	0	20	CKAD	
c1cc(N[C@@H](c2cccnc2)C2CCC2)cc(C2CCC2)c1	462963364	LDYDZKTWHPPRGR-HXUWFJFHSA-N	292.426	5.302	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2ccc3ncsc3c2)c1	485806894	RGDJCBUEDXBLSH-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccco1)c1ccc(Cl)cc1F	543799879	WYSUYYLAWZBSRB-BDJLRTHQSA-N	295.785	5.120	0	20	CKAD	
Cc1sccc1CN[C@@H](C)c1ccc(F)c2ccccc12	559303940	MFFMZAMPLOXCDV-LBPRGKRZSA-N	299.414	5.200	0	20	CKAD	
CCCC[C@@H](C)N(C)C(=O)Nc1ccccc1C(C)(C)C	579294652	VFNWEJBCXJRXCS-CQSZACIVSA-N	290.451	5.027	0	20	CKAD	
C[C@H](SCCc1ccccn1)c1ccc2ccccc2c1	604070932	WKLINWQWQSMYFB-HNNXBMFYSA-N	293.435	5.272	0	20	CKAD	
CC(C)CCc1ccc(NCc2nc3ccccc3o2)cc1	621052453	XRBGCOSDFJKBJU-UHFFFAOYSA-N	294.398	5.029	0	20	CKAD	
CCC[C@@H](NCc1cc2ccccc2o1)c1ccccc1	35013154	JOHICQHXSNHVGH-GOSISDBHSA-N	279.383	5.064	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)s1	36971855	JEMWMMKTAZENLD-LLVKDONJSA-N	298.411	5.248	0	20	CKAD	
C[C@H](Nc1cccc(-c2nccs2)c1)c1ccccc1F	37778307	IRYIRRKDOPJJRF-LBPRGKRZSA-N	298.386	5.122	0	20	CKAD	
CC(C)(NCc1cccc(Cl)c1Cl)c1ccccc1	65275111	ILDMGDMAIQEKCT-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
CCc1ccc([C@H](C)NCc2ccc(C(F)F)cc2)s1	185356372	NAAWOPHEHOASNN-NSHDSACASA-N	295.398	5.099	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2csc(Cl)c2)c1	191448473	QQMXEYOFDCCUDW-NSHDSACASA-N	295.835	5.111	0	20	CKAD	
CCc1nc2cc(N[C@H](CC)c3ccc(F)cc3)ccc2o1	195656881	KIMLFTLGZIJGSG-OAHLLOKOSA-N	298.361	5.093	0	20	CKAD	
CC[C@H](CC(F)(F)F)N[C@@H](C)c1cc2ccc(C)cc2o1	426041429	FFXWMRLBOFZLHA-WCQYABFASA-N	299.336	5.123	0	20	CKAD	
CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccsc1	453074199	OJCVWYVARGBSIJ-UKRRQHHQSA-N	277.458	5.002	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1csc(C)c1	453203245	AAAYXVYUVNHKJZ-QWHCGFSZSA-N	291.485	5.190	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1cncc(C)c1)c1ccccc1	467751012	DIFHRCXIESNPJC-OXQOHEQNSA-N	296.458	5.218	0	20	CKAD	
CCc1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1C	502385726	DWQSDDUFSXFRQC-OAHLLOKOSA-N	297.446	5.042	0	20	CKAD	
Cc1nnc([C@@H](C)S[C@H](C)c2cccc3ccccc23)o1	532346316	CWJQHVKEOXNIJL-VXGBXAGGSA-N	298.411	5.087	0	20	CKAD	
Cc1cc(N2CCCC[C@H]2C)ccc1N[C@H](C)c1ccoc1	540835742	WEXDVZHBYDSGBW-HZPDHXFCSA-N	298.430	5.140	0	20	CKAD	
CC(C)c1cnc(CS[C@H](C)c2ccc(F)c(F)c2)o1	754249405	JSXUJJOIECMSQI-SNVBAGLBSA-N	297.370	5.071	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1cc2[nH]ccc2cc1C	781548028	WXPINWNDVQTJTR-CYBMUJFWSA-N	286.419	5.021	0	20	CKAD	
CC[C@@H](Nc1ccc(OC)c(SC)c1)c1ccsc1	840773034	BUIIUHQJDXSLIW-CYBMUJFWSA-N	293.457	5.042	0	20	CKAD	
C[C@@H](Nc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1	21012030	SADLVNOEVBXBKF-SNVBAGLBSA-N	297.732	5.115	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1ccsc1	50337479	QISFOWBNSOVKIT-GFCCVEGCSA-N	253.370	5.074	0	20	CKAD	
CC[C@@H](Sc1nccs1)c1ccc(Cl)cc1	64368485	POSCDCRVUZMNTB-LLVKDONJSA-N	269.822	5.040	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CC1CCC1	79684811	NBGSESIEHYEEQY-UHFFFAOYSA-N	273.420	5.062	0	20	CKAD	
FC(F)c1cccc(CNc2cccc(C(F)F)c2)c1	386354542	VCCJCVJDHNXGMX-UHFFFAOYSA-N	283.268	5.174	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccsc1)c1ccc(F)cc1F	484498417	KFKYUDVTNDUOGR-ZBEGNZNMSA-N	295.398	5.074	0	20	CKAD	
CC(C)(C)c1cnc(CSCc2ccc(Cl)cc2)o1	500260019	DBUSPMMASUEWDN-UHFFFAOYSA-N	295.835	5.059	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2C)C2CC2)s1	532511199	VAUQOAPHMASHCH-RDTXWAMCSA-N	285.456	5.167	0	20	CKAD	
CC[C@H](CC(F)(F)F)N[C@H](C)c1oc2ccccc2c1C	546870823	SFRWFMSHUKNLKP-VXGBXAGGSA-N	299.336	5.123	0	20	CKAD	
CC(C)c1ccccc1NC(=O)/C=C\Sc1ccccc1	727868161	NBCHUDJCPCMVFI-SEYXRHQNSA-N	297.423	5.055	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1cccc(Nc2ccccc2)c1	733958008	SPALHISHROEIIL-FYWRMAATSA-N	294.398	5.115	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)o1)c1cccc(Cl)c1	36921487	ZQNHFXNPZDGCNF-DOMZBBRYSA-N	277.795	5.043	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)c1	37219261	ZBHWXSHWXXSNCT-ZIAGYGMSSA-N	273.807	5.060	0	20	CKAD	
Cc1nc(-c2cccc(N[C@H](C)c3ccsc3)c2)oc1C	183017889	JLKRDSZOSFGMPC-GFCCVEGCSA-N	298.411	5.193	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)c2ccc(F)cc2F)s1	437279714	DTVABQQGVSHXCF-SECBINFHSA-N	299.411	5.033	0	20	CKAD	
Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(Cl)o1	489067945	MYIWMPYZLUOBQT-MRXNPFEDSA-N	291.822	5.118	0	20	CKAD	
CC(C)Sc1ccc(CN[C@H](C)c2ccccc2)cc1	511167463	SZQLYSSHZAUPKE-OAHLLOKOSA-N	285.456	5.038	0	20	CKAD	
CSc1ccccc1NCc1ccc2ccccc2c1	35040663	IXQHXSVZLCSLNQ-UHFFFAOYSA-N	279.408	5.174	0	20	CKAD	
CCc1ccc([C@@H](C)NCc2ccc(C(F)F)cc2)s1	185356354	NAAWOPHEHOASNN-LLVKDONJSA-N	295.398	5.099	0	20	CKAD	
CSc1ccc(N[C@@H](C)c2csc(C(C)C)n2)cc1	186448171	ZAXYWRKZAAGNOD-NSHDSACASA-N	292.473	5.162	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccccc1	302928116	CVSJZJAOQQJWGH-KKSFZXQISA-N	289.422	5.642	0	20	CKAD	
Cc1cccc([C@H]2CCCCCN2C(=O)CC2CCCC2)c1	303726394	XRJZQKRHGBFLRC-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(F)c(Cl)c2)cs1	381705479	HRTMUSSFNALWEN-SECBINFHSA-N	269.772	5.022	0	20	CKAD	
Cc1ccccc1SCc1csc(-c2ccoc2)n1	517449484	UHRWYNZUISPORD-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C[C@@H](S[C@H](C)c1cccnc1)c1ccc(Cl)cc1	524402080	WGUHOLDATXLRGT-VXGBXAGGSA-N	277.820	5.290	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](c2ccc(F)cc2)C2CC2)c1	540835357	KBHLBGAHXKNNEP-DJJJIMSYSA-N	299.389	5.096	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc(C(F)F)nc2)cc1Cl	657940210	IGYXUWWPHSLZCW-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
Cc1cc(C)cc(CNC2c3ccccc3-c3ccccc32)c1	679465330	BFTSCEOGYPIOJT-UHFFFAOYSA-N	299.417	5.163	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cncs1)c1cc(C)sc1C	903305029	GFZYMFOSUXRVHY-BXUZGUMPSA-N	294.489	5.013	0	20	CKAD	
CC(C)c1ccc(NC(=O)/C=C/c2ccco2)c(C(C)C)c1	915163675	IHAIELOBMHWPAS-CSKARUKUSA-N	297.398	5.178	0	20	CKAD	
CSc1cccc(NCc2ccc3ccccc3c2)c1	20547933	KWIMHRBJIMMGJV-UHFFFAOYSA-N	279.408	5.174	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)c(C)o1	36968327	AVDGBOQXILYFIB-ACJLOTCBSA-N	289.394	5.083	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccccc1)c1ccc(F)cc1	61117355	NANWPWGAMMRXCW-SFHVURJKSA-N	285.406	5.093	0	20	CKAD	
CC(C)c1ccsc1C(=O)Nc1cccc2ccccc12	64670886	WQCFUQSWNSMNGY-UHFFFAOYSA-N	295.407	5.277	0	20	CKAD	
CC[C@@H](N[C@H](C)c1csc(C(C)C)n1)c1ccccc1	90048738	JCLFMDRJGJBEOU-UKRRQHHQSA-N	288.460	5.068	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2ccccc2s1)c1cccs1	121974198	ZKUFWGVHJYIFIB-VXGBXAGGSA-N	287.453	5.375	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@H]2CCSc3ccccc32)c1	130325807	RRIIJFMSGXRBPC-QAPCUYQASA-N	297.467	5.191	0	20	CKAD	
Cc1cc(C)cc(NC(=O)Nc2ccccc2C(C)C)c1	243442188	NCKVIFRAJYEJLT-UHFFFAOYSA-N	282.387	5.071	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccccc2)C(C)(C)C)cs1	381694333	FYKNZQLBMKOWMI-WMLDXEAASA-N	287.472	5.495	0	20	CKAD	
C[C@H](Nc1ccc(-c2ccccc2)cc1)c1cccc(C#N)c1	390207673	CRFFRAOSIRLUKX-INIZCTEOSA-N	298.389	5.398	0	20	CKAD	
FC(F)(F)c1ccc(CNc2ccc3ccoc3c2)s1	428525783	PQFWKCPNMJHGGV-UHFFFAOYSA-N	297.301	5.125	0	20	CKAD	
Cc1nc(C(C)C)oc1CSc1ccccc1Cl	436477696	YZPSGUTWCDMNSL-UHFFFAOYSA-N	281.808	5.052	0	20	CKAD	
CC(C)c1nc(CS[C@H](C)c2ccccc2)cs1	604049217	SASZHJGXKFGNSS-GFCCVEGCSA-N	277.458	5.261	0	20	CKAD	
Clc1cccc(Cl)c1-c1noc(C2=CCCCC2)n1	904310541	YVZQBJHDGQRIIN-UHFFFAOYSA-N	295.169	5.001	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1ccc(Cl)s1	42330141	WFTNEUVHYLNKBT-XPTSAGLGSA-N	297.876	5.265	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccccc1Sc1ccccc1	59348549	DOFBSWBHSCJGIW-ZROIWOOFSA-N	297.423	5.133	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2cnc3ccsc3c2)c(C)c1	68690305	DQQWLTYTTOGOIX-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
CCC[C@@H](C)CC(=O)Nc1ccccc1Cc1ccccc1	109703137	MDDKTNHNLHGTPQ-MRXNPFEDSA-N	295.426	5.042	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H](C)c2ccccc2F)oc2ccccc12	195656503	WRIJJGSLBCATMS-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
CC[C@@H](Nc1ccc(F)c(Cl)c1)c1ccsc1	382128250	OCZNMARIVIYZHR-CYBMUJFWSA-N	269.772	5.104	0	20	CKAD	
CC[C@@H](Nc1cccc2ccc(C)nc12)c1ccsc1	382133985	PFSUSRJYRLJMRL-OAHLLOKOSA-N	282.412	5.168	0	20	CKAD	
CC[C@H](N[C@@H](CC(F)F)c1ccccc1)c1ccsc1	421882336	RYPCXBDXRWYNAZ-GJZGRUSLSA-N	295.398	5.185	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2ccc(CC(F)(F)F)cc2)c1	439590258	AOWVMIZNEVYXAD-CYBMUJFWSA-N	293.332	5.273	0	20	CKAD	
C[C@H](S[C@H](C)c1ccncc1)c1ccc(Cl)cc1	609484128	SVOLXUDRBSSKIN-NWDGAFQWSA-N	277.820	5.290	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc2ccncc2s1)c1ccccc1	657860687	CFNBIVNJHJXKCE-XJKSGUPXSA-N	296.439	5.098	0	20	CKAD	
CC/C=C(/C)C(=O)N(CCCC)[C@H](CC)c1ccccc1	734106111	ODUKYZVSHNUIHD-XSVZSIDJSA-N	287.447	5.123	0	20	CKAD	
CC[C@H](C)[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1	7609976	VVESPXIWZCYHJN-LIRRHRJNSA-N	295.426	5.072	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1	21791913	RCITXKBRJURNHN-SNVBAGLBSA-N	283.268	5.018	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1ccc(Cl)cc1	42328793	PLCBVRJXRLWSSV-ZBEGNZNMSA-N	291.847	5.203	0	20	CKAD	
C[C@H](SCc1csc(C2CC2)n1)c1cccs1	126291608	IRRRPDHFRAIIOG-VIFPVBQESA-N	281.471	5.076	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CC1)c1cc2ccccc2o1	195614318	HPRMVMRSLBQHNC-JLTOFOAXSA-N	291.394	5.235	0	20	CKAD	
CCC(C)(C)CC(=O)N(c1ccc(F)cc1Cl)C(C)C	466541552	RSIDUPYOBRKATD-UHFFFAOYSA-N	299.817	5.047	0	20	CKAD	
CCCCCN(C(=O)Nc1ccc(Cl)cc1C)C(C)C	508105766	UXECNOSIZUOFKB-UHFFFAOYSA-N	296.842	5.081	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](CC(C)C)c2cccs2)o1	537991741	PIEOUMVFFSHTKO-UONOGXRCSA-N	277.433	5.088	0	20	CKAD	
CCc1ccc(CNc2ccc(CC(F)(F)F)cc2)s1	608058346	KIRLJGQXVSHTOR-UHFFFAOYSA-N	299.361	5.027	0	20	CKAD	
CC[C@H](C)Oc1cccc(N[C@@H](C)c2ccc(C)nc2C)c1	679011259	SKNAUMZAEHLYJM-HOCLYGCPSA-N	298.430	5.049	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1cccc(Cl)c1SC(C)C	741573168	XJLCLSWUEYNBON-YRNVUSSQSA-N	297.851	5.135	0	20	CKAD	
Cc1c([C@H](C)N[C@@H](C)c2ccccc2)oc2ccccc12	37185716	WECHKIGRPHZCPR-GJZGRUSLSA-N	279.383	5.153	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2cccc(Cl)c2Cl)cc1	37770182	YVEYHALAEOBLHR-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
C[C@H](SCc1cccc2cccnc12)c1ccc(F)cc1	71856375	VZQHPMYIWAHIKX-ZDUSSCGKSA-N	297.398	5.368	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1	94826588	XDLIYZQPFCCQTA-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
CCC[C@@H](C)CC(=O)Nc1ccccc1-c1ccccc1	109705213	SQHDFBMSIBWFOF-OAHLLOKOSA-N	281.399	5.118	0	20	CKAD	
C[C@@H](Nc1ccccn1)c1ccc(Oc2ccccc2)cc1	303109364	KAJAAXNKMOBRST-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@H](C)c1csc(Cl)c1	426021303	ZBCYPIVDTBSJJS-DTWKUNHWSA-N	299.789	5.173	0	20	CKAD	
Cc1occc1SCc1nc(-c2ccccc2)cs1	436209756	XYPOYMVKYZKNJK-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CCC[C@H](NCc1cccc(Cl)c1)c1ccsc1	443086207	NLTOVXOTOZUDTR-HNNXBMFYSA-N	279.836	5.033	0	20	CKAD	
Cc1ccc(CN[C@@H](CC(C)C)c2ccc(Cl)cc2)o1	462727343	NJFPGEKSQAEQOK-KRWDZBQOSA-N	291.822	5.118	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2cccc(F)c2o1)c1ccsc1	474108108	VFUQVBYLEBANEJ-WDEREUQCSA-N	289.375	5.045	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C1CCC1)c1cccs1	482440783	RPGLGNZIKSZQKR-WMZOPIPTSA-N	285.456	5.330	0	20	CKAD	
Cc1cccc(CN[C@@H](CC(C)C)c2cccs2)c1C	518760647	IUGFIMSRBNKRMU-KRWDZBQOSA-N	287.472	5.242	0	20	CKAD	
C[C@@H](NC1(c2ccccc2)CCC1)c1cc2ccccc2o1	539665966	CHBIZLWOONZFAM-OAHLLOKOSA-N	291.394	5.163	0	20	CKAD	
C[C@@H](Nc1ccc(-c2ccccn2)cc1)c1cccc(F)c1	579047957	KFBQPJJYTAFLCC-CQSZACIVSA-N	292.357	5.061	0	20	CKAD	
C(=C/c1nc2ccccc2s1)\c1ccc2cnccc2c1	683732862	IHZKVCFKRFMNBE-SOFGYWHQSA-N	288.375	5.015	0	20	CKAD	
CCCCN(C(=O)/C=C(\C)CCC)[C@@H](C)c1ccc(C)o1	920219393	LOHGTNFGSDMKJY-VUSFMPOISA-N	291.435	5.024	0	20	CKAD	
Cc1ccccc1[C@@H](C)NCc1ccc(Cl)c(Cl)c1	21055920	SMVDVQVDUZAUDG-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
CCc1ccc([C@H](CC)N[C@@H](C)c2ccsc2)cc1	61361142	CVNDRYMXBMSBAP-GUYCJALGSA-N	273.445	5.112	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccccc1SC1CCCC1	213773297	YHXSCQFBTNJFGR-MDWZMJQESA-N	289.444	5.016	0	20	CKAD	
Cc1ccc(C)c(CNc2ccc(CC(F)(F)F)cc2)c1	462242188	DZOWZCZRUNFJLI-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CC[C@H](Nc1ccc(COC(C)C)cc1)c1cccs1	540727237	HEEKLHGXPYVFBF-INIZCTEOSA-N	289.444	5.236	0	20	CKAD	
C[C@H](N[C@H]1CCCC(F)(F)C1)c1cc2ccccc2s1	583911266	WAFZUSIWRYQTFY-AAEUAGOBSA-N	295.398	5.130	0	20	CKAD	
Clc1ncccc1/C=C\c1nc(-c2ccccc2)cs1	728696044	LFVLOQXOUVEIDT-HJWRWDBZSA-N	298.798	5.029	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2ccco2)cc1	122132246	BCMRZGCYCQFICC-UZLBHIALSA-N	291.394	5.028	0	20	CKAD	
C[C@H](N[C@H](C)CCCC(F)(F)F)c1ccccc1Cl	163218274	WFBWTIQUOJIOKQ-MNOVXSKESA-N	293.760	5.112	0	20	CKAD	
C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1cccc(O)c1	385996072	LFYGGEZHMMSQOU-KXBFYZLASA-N	297.442	5.220	0	20	CKAD	
C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(C(C)(F)F)c2)o1	436413707	UNYHDTLHOYGZGV-ABAIWWIYSA-N	291.341	5.127	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H]2CCCCc3ccccc32)o1	552649426	ZUPAWDOBSMTPKU-CJNGLKHVSA-N	287.428	5.245	0	20	CKAD	
Cc1cc(NCCC(F)(F)F)ccc1-c1ccccc1	558604289	IXQRCDIVUREPHY-UHFFFAOYSA-N	279.305	5.026	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(CC(F)(F)F)cc2)c(C)o1	683693256	SRQIIPLMIJUTHM-LLVKDONJSA-N	297.320	5.174	0	20	CKAD	
C[C@H](SCc1cccnc1Cl)c1ccccc1Cl	727055168	QLNGPXPLGRCPFL-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CCCCCC(C)(C)C(=O)Nc1cc2[nH]ccc2cc1C	781539155	LHJJIGDPZRZRSH-UHFFFAOYSA-N	286.419	5.021	0	20	CKAD	
COc1ccc2cc(N[C@H](C)c3cccs3)ccc2c1	797021772	MMKPMSPAAQTHMG-GFCCVEGCSA-N	283.396	5.083	0	20	CKAD	
Cc1cc(C)cc(/C=C(\Cl)c2nc3ccccc3o2)c1	921265269	CWUQIMUCLVGNKX-UVTDQMKNSA-N	283.758	5.182	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)cc1	37075107	YMRRXIULWHLXJP-SCLBCKFNSA-N	285.818	5.142	0	20	CKAD	
CCCCC[C@@H](NCc1cccs1)c1ccccc1	37231980	YCURESMEFSASTN-QGZVFWFLSA-N	273.445	5.159	0	20	CKAD	
CCC[C@H](N[C@H](c1cccs1)C1CC1)c1ccccc1	42330507	XXROMUWFENPYNI-WMZOPIPTSA-N	285.456	5.330	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CC1)c1cc2ccccc2o1	195614317	HPRMVMRSLBQHNC-XOBRGWDASA-N	291.394	5.235	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1Cl)c1cccc(F)c1F	231635044	JIGUCULWTDHXBA-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
CC(=O)c1c(C)cc(C)c(CNc2ccc(C)c(C)c2)c1C	248134183	CBNFCLLLYYZIMK-UHFFFAOYSA-N	295.426	5.043	0	20	CKAD	
CC[C@@H](N[C@H](CC(F)F)c1ccccc1)c1cccs1	421873188	HLXUEZOIIUQEII-ZIAGYGMSSA-N	295.398	5.185	0	20	CKAD	
CC1=C(C(=O)Nc2c(C(C)C)cccc2C(C)C)CCC1	437937880	WGYGQMRIGCBHQA-UHFFFAOYSA-N	285.431	5.372	0	20	CKAD	
CCSCc1cccc(N[C@H](C)c2ccccc2F)c1	439600175	XYXVBMQNSQXDFF-CYBMUJFWSA-N	289.419	5.252	0	20	CKAD	
Cc1ccoc1CN[C@@H](c1oc2ccccc2c1C)C(C)C	462748486	IITSNXJQTLYIFY-GOSISDBHSA-N	297.398	5.130	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccccc1	467751011	DIFHRCXIESNPJC-OXJNMPFZSA-N	296.458	5.218	0	20	CKAD	
FC(F)(F)CCCCNc1csc2ccccc12	486151691	VFYGMQJBJCUIDP-UHFFFAOYSA-N	273.323	5.046	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1	503878936	ZVLSHYZGFCDNOF-OLZOCXBDSA-N	289.444	5.030	0	20	CKAD	
CC[C@H](NCc1ccc(F)cc1C)c1ccc(Cl)s1	548486188	ZOJXIUZZXHEDNP-ZDUSSCGKSA-N	297.826	5.090	0	20	CKAD	
CC[C@H](NCc1ccc(SC)s1)c1ccc(C)cc1	581577232	UCRICSADFLGSDW-HNNXBMFYSA-N	291.485	5.019	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccccc1	19878404	NGSBENZSHFLIAH-QWHCGFSZSA-N	293.332	5.117	0	20	CKAD	
COc1ccccc1N[C@H](C)c1ccc2ccccc2c1	21061261	YEBULWSLPRHPRO-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2ccc(C)s2)cc1	36958465	AUJUYOHDKMHKBO-KBPBESRZSA-N	273.445	5.031	0	20	CKAD	
Clc1ccc(SCc2ccc3ccccc3n2)cc1	215919877	HVUQMMAAEYQEAF-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
Cc1cccc([C@H](C)SCc2sc(C)nc2C)c1	437451977	WJOWPYDYPUFGBL-LBPRGKRZSA-N	277.458	5.063	0	20	CKAD	
Cc1c([C@@H](C)Nc2nccc3occc23)oc2ccccc12	462779572	NVFQECACYSVHLD-GFCCVEGCSA-N	292.338	5.056	0	20	CKAD	
CCC(=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1	468875646	HPMZVACZGURGRW-UHFFFAOYSA-N	294.181	5.009	0	20	CKAD	
C[C@H](CC1CCCCC1)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	527021324	CSZILZVXXJUENU-CCKFTAQKSA-N	297.442	5.011	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCCC1)c1ccsc1	532218218	LVQXGOJQHVYITM-KBXCAEBGSA-N	285.456	5.330	0	20	CKAD	
C=Cc1ccc(C(=O)Nc2c(CC)cc(C)cc2CC)cc1	560121112	KVFWTNWQBRZRDQ-UHFFFAOYSA-N	293.410	5.015	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccns1)c1cc(C)sc1C	858576650	LGOGULXHRPGUQY-RISCZKNCSA-N	294.489	5.013	0	20	CKAD	
CC[C@@H](Sc1nccn1C1CC1)c1ccc(Cl)cc1	921012917	KOKDDFMAODZXBY-CQSZACIVSA-N	292.835	5.115	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H](C)C1	472668502	GSPWRFJLMPPQCQ-GDBMZVCRSA-N	287.447	5.137	0	20	CKAD	
O=C1CCCC[C@H]1SC(c1ccccc1)c1ccccc1	502535588	KBVPHESYAPPQSW-GOSISDBHSA-N	296.435	5.021	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1cc(C)c(C)o1	530411973	CCSKJNYTWZMMGD-UHFFFAOYSA-N	299.414	5.225	0	20	CKAD	
C[C@H](N[C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccoc1	531682322	HGVCKZRDMXYTRO-GUYCJALGSA-N	289.394	5.247	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2ccnc(Cl)c2)c1	777689976	UEXBQTMHOYDNAX-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
FC(F)c1cccc(CSCc2ccnc(Cl)c2)c1	794898720	QUFDQJMGKZADBO-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
Cc1ccsc1/C=C(\Cl)c1nc2ccccc2s1	11332215	XZWYHBKOCPOSAK-NTMALXAHSA-N	291.828	5.403	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1ccc(C(F)(F)F)cc1	20148539	ARRCJTKMLZLDJG-WDEREUQCSA-N	299.361	5.179	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)sc1C)c1ccccc1	37123038	RAYQUSRBBFVXGD-CXAGYDPISA-N	273.445	5.167	0	20	CKAD	
CC(C)c1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1	61027680	ODHXWUVRBPVRKZ-HNNXBMFYSA-N	293.410	5.407	0	20	CKAD	
CC[C@@H](c1ccccc1)S(=O)[C@@H](CC)c1ccccc1	114569564	FAVMOPVFMUHGTI-ROUUACIJSA-N	286.440	5.038	0	20	CKAD	
CSc1cccc(N[C@H](C)c2csc(C(C)C)n2)c1	186446453	DTCMUWUFZLOBAK-LLVKDONJSA-N	292.473	5.162	0	20	CKAD	
CCC[C@H](N[C@H](C)c1csc(C)c1)c1ccccc1	381858278	ZWKOGKOXZUTWEV-PBHICJAKSA-N	273.445	5.249	0	20	CKAD	
C[C@H](Nc1ccc2scnc2c1)c1ccc(Cl)cc1	495726686	SRJVAPASOANUSM-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
Cc1oc(C(C)C)cc1C(=O)Nc1ccccc1C(C)C	505097970	HOHSEWPWVNNLRE-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)NCC(C)(C)C	517706448	LHAPFEYMTHEOSO-UHFFFAOYSA-N	290.451	5.101	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2ccccc2Cl)c1	602584111	MNBKKDNJGWAZRO-ZDUSSCGKSA-N	289.806	5.050	0	20	CKAD	
c1cc(NCc2ccc3cnccc3c2)cc(C2CCC2)c1	643345987	WREWALFBAZIDNB-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc3ccncc3s2)cc1	657846828	SWDCJPALQJPKGW-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CCCC[C@@H](CC)COc1cccc(Br)c1	34498792	MQFWLOHSUXANDI-GFCCVEGCSA-N	285.225	5.044	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)c(C)s1	36953038	VXRNRECRTADROI-MNOVXSKESA-N	295.398	5.055	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](c2cccs2)C2CC2)cc1	42329892	MNNNYYAGDUNZHZ-SCLBCKFNSA-N	285.456	5.112	0	20	CKAD	
Cc1ccccc1SCc1coc(-c2cccs2)n1	72013976	SAIKLXQXCMQHBB-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CC(C)c1nc2cc(N[C@@H]3CCCc4occc43)ccc2o1	316463765	JBTYDJSFTGTYMV-CQSZACIVSA-N	296.370	5.034	0	20	CKAD	
Cc1ccccc1[C@H](CC(C)C)NCc1ccc(Cl)o1	489067944	MYIWMPYZLUOBQT-INIZCTEOSA-N	291.822	5.118	0	20	CKAD	
CCCc1ccc(C(=O)Nc2ccccc2C(C)C)cc1	497516861	KNAWOCWSIBYYHS-UHFFFAOYSA-N	281.399	5.015	0	20	CKAD	
COCc1cccc(N[C@H](CC(C)C)c2cccs2)c1	540697588	FFNHUFCIHYVVQO-MRXNPFEDSA-N	289.444	5.094	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2cc3cnccc3o2)c1	657941462	DRWBVAYCBKVAHV-ZDUSSCGKSA-N	280.371	5.124	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](CC2CC2)c2ccccc2)oc1C	669702535	ONNIWDIXKPNLLX-KBXCAEBGSA-N	283.415	5.088	0	20	CKAD	
CCCCC[C@@H](NCc1ccc(Cl)o1)c1ccccc1	698130611	GVBKUUBUOFFLCK-MRXNPFEDSA-N	291.822	5.344	0	20	CKAD	
CCc1noc(C)c1[C@@H](C)Nc1ccc(C(C)(C)C)cc1	776784022	GAJWCUGKBROYGD-GFCCVEGCSA-N	286.419	5.016	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cccc(Cl)c2)c1	37219262	ZBHWXSHWXXSNCT-UONOGXRCSA-N	273.807	5.060	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2ccc(C)s2)s1	49162078	NSKQBTNCUUOTMO-VXGBXAGGSA-N	279.474	5.092	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)o1)c1ccc(Cl)s1	158180727	KPVUPODVDAJRJI-MNOVXSKESA-N	283.824	5.105	0	20	CKAD	
Cc1ccccc1CN[C@@H](c1ccccc1)C1CCCC1	195719309	VVGNICAINDGTTD-FQEVSTJZSA-N	279.427	5.016	0	20	CKAD	
c1ccc2c(-c3nc(-c4cscn4)cs3)cccc2c1	487486610	PAAHCZWVCKZYQX-UHFFFAOYSA-N	294.404	5.087	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1ccc(F)cc1F)c1ccccc1	606467385	HGZKWUFAUHZLRZ-ROUUACIJSA-N	289.369	5.157	0	20	CKAD	
CC(C)c1cccc(CN[C@H](c2cccs2)C2CC2)c1	681398763	JRGURMNPRFKYCC-SFHVURJKSA-N	285.456	5.112	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)cc2Cl)s1	49160970	ZJARQSUUXPSEMQ-MNOVXSKESA-N	297.826	5.261	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sccc21)c1cccc(Cl)c1	61325014	LWBYZRTWTDEJRC-XHDPSFHLSA-N	291.847	5.130	0	20	CKAD	
Cc1ccc(C[C@@H](C)N[C@@H](C)c2cc(C)sc2C)s1	80241140	MZZITGKSMFCDNH-MFKMUULPSA-N	293.501	5.017	0	20	CKAD	
C[C@H](N[C@H](C)c1c(F)cccc1F)c1cccc(Cl)c1	96698299	MVBQEBXMLPRIOY-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC(C)(C)[C@H](N[C@H]1CCCc2occc21)c1ccccc1	122130865	CBIWPSSDIRSVDR-FUHWJXTLSA-N	283.415	5.034	0	20	CKAD	
CC[C@H](NCc1ccc(C2CC2)cc1F)c1cccs1	425923173	NPVFTMJBJJXSHM-INIZCTEOSA-N	289.419	5.006	0	20	CKAD	
CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(Cl)s1	437110789	NQNQJFIVCYKESO-DTWKUNHWSA-N	299.789	5.029	0	20	CKAD	
Cc1nc2c(s1)[C@@H](Nc1cccc(C3CCC3)c1)CCC2	462954119	YOCVOZHRIFQUHC-KRWDZBQOSA-N	298.455	5.209	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H](C)C1	472668514	GSPWRFJLMPPQCQ-GOEBONIOSA-N	287.447	5.137	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2ccc(-c3ccccc3)o2)s1	480741599	UHJNRAXJCKXHAB-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
c1ccc(-c2cc(-c3nccs3)nc3ccccc23)cc1	482171384	VGEODBJZYLCEAM-UHFFFAOYSA-N	288.375	5.025	0	20	CKAD	
CC[C@H](N[C@H]1CCc2ccccc21)c1ccc(Cl)s1	531711581	OUUOJBJGPOQMGL-KBPBESRZSA-N	291.847	5.130	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2ccc(F)c3ccccc23)s1	550622649	OMDUSHVQACZMQO-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
CCCCCCC(=O)N1CCCCC[C@@H]1c1ccccc1	917714656	RHDYFXQUVMSXMP-GOSISDBHSA-N	287.447	5.101	0	20	CKAD	
COc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)cc1	21819527	SBFIKEMRXAJCOB-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
CC[C@@H](Nc1ncc(Cl)s1)c1ccc(Cl)s1	309488265	WDQBORUKAVWDOR-ZCFIWIBFSA-N	293.244	5.075	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1cccs1)CC2	427864473	FDGNFODHJIVQHJ-CXAGYDPISA-N	285.456	5.210	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc3nc(C4CC4)oc3c2)c(C)o1	447603898	ZGLHGKMJZQTKGI-LLVKDONJSA-N	296.370	5.088	0	20	CKAD	
CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1ccsc1	453184042	IZZCNCYPZBBTOQ-WBMJQRKESA-N	275.417	5.019	0	20	CKAD	
Cc1cccnc1[C@@H](N[C@H](C)c1cccc(C)c1C)C(C)C	483154705	LABATTGHFFVUQG-MJGOQNOKSA-N	296.458	5.055	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C)s1	503903544	QSKHGWPOZHGMSL-CHWSQXEVSA-N	291.485	5.190	0	20	CKAD	
C[C@@H](Nc1ccc(F)c(C2CC2)c1)c1nc2ccccc2o1	507486593	OZMQAPBLVQSVGX-LLVKDONJSA-N	296.345	5.017	0	20	CKAD	
CC[C@H](NCc1ccc2[nH]c(C)cc2c1)c1ccc(C)cc1	560573728	IRKWSKJAVDCQLD-IBGZPJMESA-N	292.426	5.026	0	20	CKAD	
CC(C)c1cnc(SCc2ccc(F)cc2)n1C(C)C	606758495	WMPLHIHYTHNTTR-UHFFFAOYSA-N	292.423	5.019	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccn1	675816586	PGWZLXOLDANKFT-YOEHRIQHSA-N	294.398	5.020	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2ccc(C)s2)cc1	36958467	AUJUYOHDKMHKBO-UONOGXRCSA-N	273.445	5.031	0	20	CKAD	
c1ccc(SCc2csc(-c3ccsc3)n2)cc1	61397901	NNEQUCLMFCXLCG-UHFFFAOYSA-N	289.450	5.164	0	20	CKAD	
C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc(F)c1	195613801	GDHGZAFEKRQEBK-NSHDSACASA-N	296.345	5.017	0	20	CKAD	
CC(C)Sc1ccccc1N[C@@H](C)c1ccccc1F	630056952	OELUAOHFSDTWDZ-ZDUSSCGKSA-N	289.419	5.499	0	20	CKAD	
CCCc1ccccc1NC(=O)c1cccc2ccccc12	642161839	XGOFGXNKHPJFIN-UHFFFAOYSA-N	289.378	5.045	0	20	CKAD	
Cc1cccc(NC(=S)Nc2cccc3ccsc23)c1	752787254	VGEAECWCDLYWAT-UHFFFAOYSA-N	298.436	5.019	0	20	CKAD	
CCOc1ccc(S[C@H](C)c2nc3ccccc3o2)cc1	777913073	HZXHDEJYMVFRHJ-GFCCVEGCSA-N	299.395	5.080	0	20	CKAD	
CCC[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccccn1	358231326	SICVDLBPMUPBBB-ZTNFWEORSA-N	294.442	5.151	0	20	CKAD	
Cc1ccoc1CN[C@@H](c1ccc(C(C)C)cc1)C(C)C	462656699	AFJJOJZFOXRECE-LJQANCHMSA-N	285.431	5.198	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cc3cccc(F)c3o2)c1	474105936	LSMNSXIMQIVXIF-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
Cc1ncsc1CS[C@H](C)c1cccc(Cl)c1	578705352	UCEQKFLLPXVWIF-SNVBAGLBSA-N	283.849	5.099	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccc(C(F)F)nc2)cc1	657940272	JRZKYDXWLIHPAH-LBPRGKRZSA-N	290.357	5.316	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(C3CC3)cc2)s1	679089031	FQVFNELKVBVSAL-LBPRGKRZSA-N	257.402	5.107	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc2c(cnn2C(C)C)c1	679147607	JYYOSNBSJFZHNA-ZDUSSCGKSA-N	299.443	5.160	0	20	CKAD	
CC[C@@H](Nc1cccc(COC)c1)c1cccc(Cl)c1	36918218	GLKVZLWAKCMTIX-QGZVFWFLSA-N	289.806	5.050	0	20	CKAD	
C[C@@H](N[C@@H](CC1CCCC1)c1ccccc1)c1ccncc1	90765519	YFCPAOIMHFPVLS-UZLBHIALSA-N	294.442	5.054	0	20	CKAD	
Cc1cc(CNc2cccc(C(C)(F)F)c2)c(C)s1	435886766	BDTOVZAXRRVLMC-UHFFFAOYSA-N	281.371	5.089	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)NCc2cc3cc(F)ccc3o2)c1	462749911	VUWJNFOYOCPINO-CQSZACIVSA-N	297.373	5.040	0	20	CKAD	
C/C=C/c1ccc(NC(=O)Nc2ccsc2Cl)cc1	482334794	MUPJULKHAMUSTI-NSCUHMNNSA-N	292.791	5.079	0	20	CKAD	
CCc1ccc([C@@H](N[C@H](C)c2cc(C)ccn2)C(C)C)cc1	514104588	KYIIBFOOUHBVLP-UZLBHIALSA-N	296.458	5.000	0	20	CKAD	
COc1c(Cl)cccc1N[C@H](C)c1ccc(Cl)cc1	518013304	HEISDQPXGKGVSD-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
c1ccc(CNc2cccc(-c3cccs3)c2)cc1	518952503	UJLDBUVKDQWXGF-UHFFFAOYSA-N	265.381	5.027	0	20	CKAD	
Cc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1ccco1	532510881	GDRMLJYTQITLKF-NVXWUHKLSA-N	271.404	5.026	0	20	CKAD	
Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@@H](C)c1ccco1	538641059	XCHPDVRHPSJKCK-HOTGVXAUSA-N	298.430	5.140	0	20	CKAD	
CC(C)C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cccs1	540156403	OUHPXCCYYBOODS-OLZOCXBDSA-N	287.419	5.003	0	20	CKAD	
Cc1ccc(C)c(N[C@@H](C)c2ccc3ccccc3n2)c1	540819490	FSCBIMFLGRLWSC-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
Cl/C(=C/c1ccc(Cl)s1)c1nc2ccccc2o1	834793921	JVFSNBIEZJICML-VQHVLOKHSA-N	296.178	5.280	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@H](C)c2ccns2)cc1	858578032	XAEBTQCDADXREG-MELADBBJSA-N	288.460	5.068	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1Cl)c1cc(F)ccc1F	21796041	JGYSBLOKJNBODN-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccccc1Cl	35055321	YGGFCFWUVOPCHH-ACJLOTCBSA-N	285.818	5.142	0	20	CKAD	
COCc1ccccc1N[C@@H](C)c1ccc2ccccc2c1	315675057	QROVZZPYKUELFW-HNNXBMFYSA-N	291.394	5.159	0	20	CKAD	
C[C@H](c1ccccc1Cl)N(C)CCCCC(F)(F)F	443625274	UDTLZAUEAYLLSB-LLVKDONJSA-N	293.760	5.065	0	20	CKAD	
CCSc1ccc([C@@H](C)Nc2ccc(Cl)cn2)cc1	463053685	JNBOHWWKFWMQDO-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
CCCC[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1	500029195	ZVNWGKQVONYQKS-OAHLLOKOSA-N	281.399	5.118	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(C)c1C)c1cccs1	531966903	AFPAEVRGYRLOAN-GOEBONIOSA-N	273.445	5.167	0	20	CKAD	
CC(C)=CCC[C@@H](C)N[C@H](C)c1csc(C(C)C)n1	563291884	HXWQXWVYIGOHHC-ZIAGYGMSSA-N	280.481	5.052	0	20	CKAD	
c1cc(NCc2cccc3cnccc23)cc(C2CCC2)c1	643346514	YPLJJNZCLXBLJB-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
CC[C@H](C)CCCCC(=O)N1[C@H]2CC[C@H]1c1ccccc12	680033947	MOWMHQJGIQBDSQ-WBAXXEDZSA-N	285.431	5.011	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@@H](c2cccs2)C2CC2)c1	42330770	ZCOWACQZUZGFKT-KBXCAEBGSA-N	285.456	5.167	0	20	CKAD	
C[C@H](SCc1ncccc1C(F)(F)F)c1ccccc1	432246999	PDIKTQZXRSCEEC-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
Cc1cccc(NC(=O)c2cccc3ccccc23)c1Cl	524793701	MUICRWQUUSTEFH-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](c2ccc(C)cc2)C2CC2)c1	538634375	SCDDTGZBLJHWJQ-MGPUTAFESA-N	295.426	5.266	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2ccnc(Cl)c2)c1	777689977	UEXBQTMHOYDNAX-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
CC(C)(C)[C@@H](NCc1ccc(Cl)s1)c1ccccc1	35255432	WZBJCNGPNAIOJE-HNNXBMFYSA-N	293.863	5.279	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2)cc1	37292209	GGPLDFBXJCDHKS-HUUCEWRRSA-N	285.456	5.129	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cc(Cl)ccc2F)c(C)s1	125156901	OWJPYDYUAGRBGQ-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](C)c1cccc(C)c1C	531711714	RAZZCAQGWQHMCL-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
Cc1ccc(CNC(C)(C)c2ccc(C(C)C)cc2)s1	591724982	DHNCTGYGKPPRQS-UHFFFAOYSA-N	287.472	5.205	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CC1(C)CCCCC1	622410855	SXJWWOBFDZWWAE-UHFFFAOYSA-N	287.447	5.417	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2ccc(Cl)nc2)c1	776803297	HTLBDXBZYWQLTC-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
O=Cc1sc2ccc(Cl)cc2c1-c1ccccc1	98179584	ZBCVHNHSJWGTOS-UHFFFAOYSA-N	272.756	5.034	0	20	CKAD	
CCC[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1	131794980	BAXVFZDOIDPYOV-QGZVFWFLSA-N	289.369	5.255	0	20	CKAD	
CC(C)C[C@@H](NCc1cccc2[nH]ccc12)c1cccs1	236623638	IBSORYNGEJBIDV-QGZVFWFLSA-N	298.455	5.106	0	20	CKAD	
CC[C@@H](N[C@H](C)c1nccc2ccccc12)c1ccccc1	289533480	BIAPGBUFWMANSH-DNVCBOLYSA-N	290.410	5.037	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(N3CCCCC3)cc2)c(C)o1	315648360	ZYDMGQAEAYFNJW-OAHLLOKOSA-N	298.430	5.060	0	20	CKAD	
CC[C@]1(C)C[C@H]1C(=O)Nc1c(C(C)C)cccc1C(C)C	466413114	CBBHAZFXILCJTP-QFBILLFUSA-N	287.447	5.308	0	20	CKAD	
CCC[C@H](CC)SCC(=O)Nc1ccccc1C(C)C	477077466	OATVNYOTFMHASY-AWEZNQCLSA-N	293.476	5.060	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@@H]1CC[C@H](c2ccccc2)C1	480212089	ZLVCZTCRTZHQQX-VNQPRFMTSA-N	299.380	5.033	0	20	CKAD	
C[C@@H](NC1(c2ccccc2)CC1)c1ccc2ccccc2c1	538523476	APCMZTWBIWCQSE-MRXNPFEDSA-N	287.406	5.180	0	20	CKAD	
CCC[C@H](NCc1ccc(C(C)C)nc1C)c1ccccc1	555420618	JAFIRWGNJHSYNJ-FQEVSTJZSA-N	296.458	5.144	0	20	CKAD	
C[C@H](Sc1ccnc2ccccc12)c1ccc(F)cc1	111217376	ANHBKIXIWOIDGU-LBPRGKRZSA-N	283.371	5.227	0	20	CKAD	
Cc1csc(CNCc2ccc(-c3ccccc3)s2)c1	380920861	RUZBCTHUULKGSW-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
CC(C)c1ccc(N[C@H](c2ccc(F)cn2)C(C)C)cc1	498747034	IJDYDDWIDMDXHR-SFHVURJKSA-N	286.394	5.153	0	20	CKAD	
Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](c1cccs1)C1CC1	504917132	AVYVWXYWKIUULA-NRXGSXMXSA-N	297.467	5.346	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1cc(C)ccn1)c1ccccc1	552037701	DYUPIQLWQUISMK-JXFKEZNVSA-N	296.458	5.218	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H]2C[C@@H](C)c3ccccc32)c1	584255866	ZOIDPBQEBSCKDW-LPMFXHHGSA-N	281.399	5.054	0	20	CKAD	
c1ccc([C@@H](N[C@H]2CCCc3ccccc32)C2CCC2)cc1	591377499	PUTMPCZRHCWDBW-LEWJYISDSA-N	291.438	5.195	0	20	CKAD	
CCCC(C)(C)C(=O)Nc1cc(C(F)F)ccc1Cl	649847688	QKSBEMZEPMRYQC-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
C[C@H](Nc1ccc(C2CC2)cc1)c1cnc2ccsc2c1	679091068	XQJLRXSJKBAKMS-LBPRGKRZSA-N	294.423	5.347	0	20	CKAD	
Cc1nc2ccc(CNc3ccc(C4CC4)cc3)cc2s1	683147244	LHSKPKLTANJOSR-UHFFFAOYSA-N	294.423	5.094	0	20	CKAD	
FC(F)(F)C1CCC(Nc2ccc(C3CC3)cc2)CC1	690087600	HXFUAUICBSAKHY-UHFFFAOYSA-N	283.337	5.097	0	20	CKAD	
CC[C@@H](C)[C@@H](C)Nc1cccc(C2SCCS2)c1	777233620	BORJAQCJNBRUSF-VXGBXAGGSA-N	281.490	5.012	0	20	CKAD	
C[C@H](Nc1ccc(SC(F)F)cc1)c1ccccc1F	36919553	XNRFYUWGIQNUEZ-JTQLQIEISA-N	297.345	5.314	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)o1)c1cccc(Cl)c1	36921485	ZQNHFXNPZDGCNF-WFASDCNBSA-N	277.795	5.043	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2c(F)cccc2F)s1	41631788	IQJACLFYCNVNNY-QWRGUYRKSA-N	295.398	5.001	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccsc1)c1cccc(Cl)c1	50340656	CPWDOZLDSATIDH-ABAIWWIYSA-N	279.836	5.203	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2c(s1)CCCC2)c1ccsc1	129471268	ZYDQDHABPJDJTE-NWDGAFQWSA-N	291.485	5.100	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc(C(C)C)c2)cs1	381649504	YJTIVRZNWPKUJG-CYBMUJFWSA-N	259.418	5.353	0	20	CKAD	
Cc1nc(C(C)C)ccc1CNc1ccccc1C(F)F	424570835	QBOOROOXUOZUJB-UHFFFAOYSA-N	290.357	5.063	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)c(C)o1)c1ccc(Cl)s1	502721237	FSPFAYMZPCOTBO-CMPLNLGQSA-N	297.851	5.413	0	20	CKAD	
Cc1ccsc1CNc1cccc(C(F)F)c1Cl	541760412	LRCNXOZNMXYQRR-UHFFFAOYSA-N	287.762	5.260	0	20	CKAD	
C[C@@H](Nc1ccc(SC(C)(C)C)cc1)c1ccco1	777673595	MUZHEBUXVJYSLN-GFCCVEGCSA-N	275.417	5.343	0	20	CKAD	
CC/C=C(/C)C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1	918643748	OHTKDEMNLYDRBN-CQYSBYMNSA-N	299.458	5.004	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1ccccc1Cl	20552943	RNHLRXSMHRSPTF-KBPBESRZSA-N	273.807	5.060	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccc(F)cc1	35019580	GMNOLOKYDUKTBP-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1cccs1	37118544	AQYVHNLSZSEFES-JSGCOSHPSA-N	289.444	5.014	0	20	CKAD	
C[C@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccccc1	37185943	MAKICKBUTUMWMI-BBRMVZONSA-N	293.332	5.031	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3s2)o1	121990058	DGAGUEMXKITEQV-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
CC[C@@H](C)CN(CC)C(=O)Nc1c(C)cccc1C(C)C	175079709	LZYVZAOLUIFDBB-CQSZACIVSA-N	290.451	5.018	0	20	CKAD	
CC[C@H](Nc1cc(F)cc(Cl)c1)c1ccsc1	382148521	RWJDTBKVCOXXNN-ZDUSSCGKSA-N	269.772	5.104	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](c1ccccc1)C1CC1	442642143	DPFYDJJIKGFDCA-IFXJQAMLSA-N	297.467	5.210	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCCCC2	477755849	OCXDOWGZSPPJKE-MRXNPFEDSA-N	285.431	5.027	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)c1ccc(C2CCC2)cc1	479872809	KVOWMJXTADJNBZ-UHFFFAOYSA-N	299.801	5.168	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCc2occc21)c1ccc(Cl)s1	480766228	CERHNRZDDVYMMB-VXGBXAGGSA-N	295.835	5.113	0	20	CKAD	
Cc1cccc2cc(C(=O)Nc3ccccc3C(C)C)oc12	497533691	OKEOFJUHJDBHGP-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
CCC[C@H](NCc1ccc(SC)s1)c1ccccc1	516516150	KIIVSORRVGMPBO-HNNXBMFYSA-N	291.485	5.101	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(C)c1C)c1cccs1	531966904	AFPAEVRGYRLOAN-HOCLYGCPSA-N	273.445	5.167	0	20	CKAD	
Cc1ccccc1-c1cnc(CSc2cccc(F)c2)o1	535264766	RIBSRDSJULTHCZ-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C1\CC[C@H](C)C1	788486996	APBOCAOJZVLKGG-XERWBJCMSA-N	299.458	5.447	0	20	CKAD	
CCCCCCC(=O)N1CCCCC[C@H]1c1ccccc1	917714657	RHDYFXQUVMSXMP-SFHVURJKSA-N	287.447	5.101	0	20	CKAD	
Clc1ccc(-c2ccc3c(c2)oc2ccccc23)cc1	166914871	AMFCLAQSSMMYGU-UHFFFAOYSA-N	278.738	5.906	0	20	CKAD	
CC(C)Sc1ccc([C@@H](C)N[C@@H](C)c2ccoc2)cc1	178621228	QJWDOKHWAODYHQ-KGLIPLIRSA-N	289.444	5.192	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(OC(C)C)c1)c1ccccc1	302987659	WSRYOSUBCDUACH-OXQOHEQNSA-N	297.442	5.276	0	20	CKAD	
CC[C@H](N[C@H](C)c1csc(C)c1)c1cccc(Cl)c1	381327313	AIGZEMQYDXCPQU-WBMJQRKESA-N	293.863	5.512	0	20	CKAD	
CCC(CC)(CC)[S@](=O)[C@H](C)c1cccc(Cl)c1	431173216	PAYFMXOJHNXYBA-KZULUSFZSA-N	286.868	5.119	0	20	CKAD	
Cc1ccccc1-c1cnc(CSCc2ccccc2)o1	535261448	MJNRAQWHPPBURQ-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2cc3ccccc3o2)c1	538635607	CNAUOWPRXZIETR-ZIAGYGMSSA-N	295.382	5.313	0	20	CKAD	
Cc1ccsc1CN[C@@H](C)c1ccc(F)c2ccccc12	559738463	FFXBSYNLLRJICX-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
C[C@H](SCc1ccc2ccccc2n1)c1cccs1	737403541	DTYAFBQUFMSJBD-LBPRGKRZSA-N	285.437	5.291	0	20	CKAD	
Cc1ccc(N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)cc1	776776081	FLSDYIRDJGVYBG-SNVBAGLBSA-N	295.213	5.057	0	20	CKAD	
CCCCN(C(=O)/C=C(\C)CCC)[C@H](C)c1ccccc1	920217772	BSAAIMNXHUNEQW-INFVRCAFSA-N	287.447	5.123	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1cc2ccccc2o1	163305950	NEDMAJINAAHLJO-RYUDHWBXSA-N	299.336	5.205	0	20	CKAD	
Cc1ccc(NCc2ccc(Cl)c3cccnc23)c(C)c1	166383120	CWDLSHDKMSCKQJ-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)c(C)o1	386768610	HEPVJUFLSYCEJA-UONOGXRCSA-N	297.398	5.363	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)c1C	480282219	YCZDPVZHMYTUHM-RDTXWAMCSA-N	285.456	5.167	0	20	CKAD	
Cc1cc(CSc2cccc3cccnc23)c(C)s1	516834177	DIWNUMPDZIZNBJ-UHFFFAOYSA-N	285.437	5.205	0	20	CKAD	
CCC(CC)S[C@@H](C)c1nnc(-c2ccc(C)cc2)o1	519964043	OMPVFXVKSFFLRA-LBPRGKRZSA-N	290.432	5.028	0	20	CKAD	
CC[C@H](C)N(C(=O)c1cc2sccc2s1)[C@@H](C)CC	547348473	RXKHTYXJVHCLAC-QWRGUYRKSA-N	295.473	5.002	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](CC(C)C)c1cccs1	557247635	QHVSSADPBQEHCU-ZIAGYGMSSA-N	293.501	5.556	0	20	CKAD	
FC1(F)CC[C@@H](CSC2=Nc3ccccc3CS2)C1	752934715	WGAJKVIEKKBBCG-SNVBAGLBSA-N	299.411	5.090	0	20	CKAD	
Cc1cnc(CNc2ccc(-c3ccccc3)cc2C)s1	771676320	YFBJZLHVJRBKPN-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1cc(C)c(C(=O)Nc2ccc3ccccc3c2)c(C)c1	875738981	OUEPFDIUNXOMHJ-UHFFFAOYSA-N	289.378	5.017	0	20	CKAD	
c1ccc([C@H](CCN2CCCCC2)C2CCCCC2)cc1	33638011	XRIWYSDXWFTHGN-FQEVSTJZSA-N	285.475	5.227	0	20	CKAD	
Cc1ccc(CNCc2ccc(-c3ccccc3)cc2)s1	48068775	ICJDFOOYPMTNBM-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1cccs1	130436647	NODLRZPDOVJJQB-HOCLYGCPSA-N	273.445	5.167	0	20	CKAD	
Cc1cccc(C(=O)Nc2ccccc2C(C)C)c1Cl	168648589	OZBZHUNHUXGVOC-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
CC(C)C[C@H](NCc1cccs1)c1ccc(Cl)cc1	462725285	BNTZNIIVAXEZOQ-INIZCTEOSA-N	293.863	5.279	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1F)C1CCCC1)c1ccco1	484622477	SGTRNWLMXUXMNG-UGSOOPFHSA-N	287.378	5.001	0	20	CKAD	
Cc1ccccc1-c1cnc(CSc2cccs2)o1	536017782	LCFNZIVQXNRATA-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C[C@H](Nc1ccc(Cl)cc1)c1ccc2ccccc2n1	540750553	KABXRZVDRGXZJP-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@@H](C)c2ccco2)c(C(C)C)c1	607465408	QIQDSDQACWUPCU-AWEZNQCLSA-N	299.414	5.269	0	20	CKAD	
CC(C)CCSc1nnc(-c2ccc3ccccc3c2)o1	643101562	DDLDEUAVBOMYOY-UHFFFAOYSA-N	298.411	5.028	0	20	CKAD	
CCC[C@H](N[C@H](CCC)c1ccccc1)c1ccccn1	675815723	DPJXMEWRZVGVQN-MJGOQNOKSA-N	282.431	5.054	0	20	CKAD	
C/C(=C\C(=O)N[C@@H](C)c1cccc2ccccc12)C(C)(C)C	742483113	LJBIWPRNSCZJSN-BUYIWHAFSA-N	295.426	5.009	0	20	CKAD	
Cl/C(=C\c1sccc1Cl)c1nc2ccccc2o1	782313489	OCXHGPSVPHNJCT-CLFYSBASSA-N	296.178	5.280	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1ccsc1C(F)F	929782826	VDIWHVNIHDKUDS-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
CC[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1cccs1	129614379	XZPXSIITRFIGNT-MNOVXSKESA-N	297.876	5.191	0	20	CKAD	
Cc1ccc(C)c([C@H](C)NCc2ccc(C(F)F)cc2)c1	131345972	JABGVZYQXJEIBM-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)c1ccc(Cl)s1	311708971	NFYFAAHNOOLVON-SUNKGSAMSA-N	291.847	5.301	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(-c3cccs3)cc2)o1	444684229	IVTVBFZYXQDYIX-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1c(C(C)C)cccc1C(C)C	466413112	CBBHAZFXILCJTP-APWZRJJASA-N	287.447	5.308	0	20	CKAD	
F[C@@H](CC1CCCCC1)c1nc([C@@H]2CCCCS2)no1	561905290	GFTXCMSAZDDGLB-STQMWFEESA-N	298.427	5.009	0	20	CKAD	
Cc1ccc(-c2csc(COc3ccccc3)n2)c(C)c1	602291253	IASMXHRAQCFXEH-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Cc1ccccc1NC(=S)Nc1cccc(C2CCC2)c1	812258366	AZNDJEKEMIXROO-UHFFFAOYSA-N	296.439	5.071	0	20	CKAD	
CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccc(C)cc1	42330364	LHZJRQUAOGHNSM-SJLPKXTDSA-N	285.456	5.249	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sccc21)c1ccccc1Cl	61325009	CESFGTUKJDAQKY-NHYWBVRUSA-N	291.847	5.130	0	20	CKAD	
Cc1c([C@@H](C)N[C@H](C)c2ccccc2F)oc2ccccc12	195656513	WRIJJGSLBCATMS-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
CC[C@@H](Nc1ccc(CCSC)cc1)c1ccccc1	495670391	RBHPTYNBNACWOE-GOSISDBHSA-N	285.456	5.155	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H]2C[C@H](C)c3ccccc32)cc1	571480119	YWOHGYDZINUVHI-IQUTYRLHSA-N	297.467	5.308	0	20	CKAD	
CC(C)(C)OCCCSCc1cccc(C(F)F)c1	619469502	LNFPLDCQPYFLLH-UHFFFAOYSA-N	288.403	5.063	0	20	CKAD	
C[C@H](SCc1ccc2ncccc2c1)c1cccs1	769848723	VUSVPQDCHGVUHL-LBPRGKRZSA-N	285.437	5.291	0	20	CKAD	
C[C@@H](Sc1nccn1C1CC1)c1ccc2ccccc2c1	918157712	OZYFLLAPGOJFLL-CYBMUJFWSA-N	294.423	5.225	0	20	CKAD	
C[C@@H](Sc1nc(-c2ccccc2)cs1)c1ccncc1	920242184	ZHSJBQVSGQXNFV-GFCCVEGCSA-N	298.436	5.058	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1	19987421	RTYNCRUNKHSHJL-RYUDHWBXSA-N	294.225	5.405	0	20	CKAD	
CC[C@H](NCc1ccc(Cl)cc1)c1ccc(Cl)cc1	21820021	HOYGHBLKTDJCRQ-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1ccncc1)c1ccccc1	37217836	BDBOMNIQNMPZKG-VQIMIIECSA-N	282.431	5.054	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cs1	381698050	GNIHVRBNRXRSOX-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
CCOc1ccc(N[C@H](CC)c2ccsc2)cc1Cl	382112698	LEFBOLCGLNOTPJ-CQSZACIVSA-N	295.835	5.363	0	20	CKAD	
CC[C@H](Nc1ccc2ccccc2c1)c1ccsc1	382172324	WLQDEOWJZYCXMA-KRWDZBQOSA-N	267.397	5.465	0	20	CKAD	
CC[C@H](Nc1cccc(C(C)C)c1)c1ccsc1	382196400	ZWQQLIUXGRNIIT-INIZCTEOSA-N	259.418	5.435	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccc(Cl)s1	531712612	OZTMSWRYOAPUAF-GWCFXTLKSA-N	297.826	5.343	0	20	CKAD	
CSCc1ccc(N[C@@H](C)c2ccc(C)s2)cc1	537530575	MVLVFRHKNGZDOI-LBPRGKRZSA-N	277.458	5.093	0	20	CKAD	
CCC[C@H](N[C@@H](CCC)c1ccccn1)c1ccsc1	682376262	IBWMSLFBLJDHDS-RDJZCZTQSA-N	288.460	5.115	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccc(Cl)cc1	20000656	GDADFBKJGBIWTL-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
C[C@H](Nc1ccc(F)cc1)c1ccccc1C(F)(F)F	21015698	GWMBQWITUFZUNR-JTQLQIEISA-N	283.268	5.018	0	20	CKAD	
Cl/C(=C\c1cccc(Cl)c1)c1nc2ccccc2o1	26764210	BGDWZKCZBWVNFZ-XFXZXTDPSA-N	290.149	5.218	0	20	CKAD	
O=C(/C=C\c1ccccc1)Nc1ccccc1-c1ccccc1	33907090	CGWLUXDVJMAHRL-NXVVXOECSA-N	299.373	5.006	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)C2CC2)o1	37280671	QEYBGBZQHVZXMY-YVEFUNNKSA-N	289.806	5.043	0	20	CKAD	
Fc1ccc(-c2cnc(CSC3CCCCC3)o2)cc1	61281391	NXFCAGMAGJUMMK-UHFFFAOYSA-N	291.391	5.047	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(Cl)c1)c1cc(F)cc(F)c1	94826186	UCEGITMCWLYXDB-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(C(C)(C)C)cc1	315363115	BYOKEOSLRLQOOD-HUUCEWRRSA-N	297.442	5.102	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccc1OC(C)C)c1ccccc1	315677796	RDVHBOAOOXRQIQ-LPHOPBHVSA-N	297.442	5.276	0	20	CKAD	
CC[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccsc1	453255414	PZCJOGNVGQCGOP-VXGBXAGGSA-N	297.876	5.191	0	20	CKAD	
C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1cccs1	482444747	AGZJYEOSRNONEQ-SJCJKPOMSA-N	289.419	5.079	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1cccs1)c1ccc(F)cc1F	484524687	XUPHHQTZARMVEN-BDJLRTHQSA-N	295.398	5.074	0	20	CKAD	
Cc1cccc(C)c1NC(=O)Nc1csc2ccccc12	491366924	KPEKKKBDIWUVEN-UHFFFAOYSA-N	296.395	5.162	0	20	CKAD	
CC(=O)[C@@H](Sc1ccc(C(C)C)cc1)c1ccccc1	498109165	WXKYNFWIAPHPDF-GOSISDBHSA-N	284.424	5.232	0	20	CKAD	
CSCc1cccc(N[C@@H](C)c2sccc2C)c1	538633991	PCZFHDPIRKSNJU-LBPRGKRZSA-N	277.458	5.093	0	20	CKAD	
Cc1cnc([C@@H](C)Sc2ccc(Cl)c(Cl)c2)o1	539995541	FSIMDTJHSKHDIA-MRVPVSSYSA-N	288.199	5.143	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)C(C)(C)CC)c(C)c1	588371002	CCXTWDRIVWNENM-ZDUSSCGKSA-N	293.476	5.260	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1csc2ccccc12	765833565	MRKFFUWUHFMPIQ-NEPJUHHUSA-N	287.453	5.375	0	20	CKAD	
COc1ccsc1[C@@H](C)Nc1ccc2ccccc2c1	769970334	OLEPIOMMALYAHW-GFCCVEGCSA-N	283.396	5.083	0	20	CKAD	
CCC(CC)(CC)S[C@H]1CCO[C@@H](c2cccnc2)C1	863326849	SZHYJUOLVMUNFH-JKSUJKDBSA-N	293.476	5.004	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1sccc1C)c1ccccc1	70090990	WYCYEHBWLYJKAV-HOCLYGCPSA-N	273.445	5.249	0	20	CKAD	
CCCOc1cccc(N[C@H](CC)c2ccsc2)c1	382116765	LXOKVJSAXXSGEG-MRXNPFEDSA-N	275.417	5.100	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc2ccccc12)c1ccsc1	394252467	DNJOSJWWCFWTNW-IFXJQAMLSA-N	295.451	5.703	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2ccncc2Cl)c1	421845766	XTCJCRUADFILRN-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2ccncc2Cl)c1	421845768	XTCJCRUADFILRN-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
CCC[C@H](Nc1cccc(C2CCC2)c1)c1ccccn1	462940665	CGTKVAUCVNNEDO-IBGZPJMESA-N	280.415	5.302	0	20	CKAD	
O=C(CCC1CCCC1)N1CCCCC[C@H]1c1ccccc1	519115484	QAVMEVILJMXGKE-IBGZPJMESA-N	299.458	5.101	0	20	CKAD	
Cc1oc2ccccc2c1CN[C@@H](c1cccs1)C1CC1	539415350	HQRFDYKZAOZCFR-GOSISDBHSA-N	297.423	5.044	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)o1	539627574	ZAROTNAEGFFBDE-LLVKDONJSA-N	296.370	5.034	0	20	CKAD	
CC(C)(C)CCC(=O)Nc1cc(C(F)F)ccc1Cl	564196192	XQEQAHDLOCYRAE-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
Fc1ccccc1-c1nc(CSC2CCCC2)cs1	609101962	JZUCRFILJJXUNA-UHFFFAOYSA-N	293.432	5.125	0	20	CKAD	
Clc1ccc2c(n1)[C@@H](Nc1ccc(C3CCC3)cc1)CC2	788797944	ZLGADEVLOGBTSN-INIZCTEOSA-N	298.817	5.102	0	20	CKAD	
C[C@@H](NC1CC(F)(F)C1)c1ccccc1SC(C)(C)C	815620026	FWTFOEPUFLJGIP-LLVKDONJSA-N	299.430	5.026	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2ccc(C(F)F)nc2)c1Cl	850458464	SZQGGWJKPCQUJB-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
FC(F)(F)c1ccc(CNc2ccc3occc3c2)cc1	864018220	UMYGABBMKWKICJ-UHFFFAOYSA-N	291.272	5.064	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1ccccc1C(F)(F)F	20148279	BFNUDWXPQWCMOB-WDEREUQCSA-N	299.361	5.179	0	20	CKAD	
c1ccc([C@@H](NCc2ccsc2)C2CCCCC2)cc1	57993287	BRMDAJYNTULIDJ-GOSISDBHSA-N	285.456	5.159	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1nccs1	80257826	NJWUZACUDNKTNJ-CJNGLKHVSA-N	288.460	5.068	0	20	CKAD	
CCCOc1ccccc1NCc1cccc(C(F)F)c1	131780905	APONDUOXINHLQY-UHFFFAOYSA-N	291.341	5.025	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1C	439556134	JSNMDKGSDKRQJX-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccco1)c1ccc(Cl)cc1	462722971	CVJJEACERUFKBS-MRXNPFEDSA-N	291.822	5.200	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc(-c3nccs3)c2)oc1C	502464278	SHHOKDANYVBDLQ-GFCCVEGCSA-N	298.411	5.193	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccc1)c1ccc(Cl)s1	532222571	SSKUYDFZLUZRMR-DGCLKSJQSA-N	279.836	5.203	0	20	CKAD	
C[C@@H](NC1CCC(F)(F)CC1)c1cccc2ccccc12	536836536	BAALOMNLFRROEH-CYBMUJFWSA-N	289.369	5.068	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21	572201833	VDENAPDRYWCLFB-GLJUWKHASA-N	297.467	5.308	0	20	CKAD	
Cc1cccc([C@H](C)Nc2ccc(CC(F)(F)F)cc2)c1	439590261	AOWVMIZNEVYXAD-ZDUSSCGKSA-N	293.332	5.273	0	20	CKAD	
CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1csc(Cl)c1	468788957	BUCICKIIIVOMTQ-PSASIEDQSA-N	299.789	5.029	0	20	CKAD	
Cc1cccc(NC(=O)c2ccc(SC(C)C)cc2)c1C	511766383	DRONWRYKUDFSAI-UHFFFAOYSA-N	299.439	5.056	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)C)nc1C)c1ccc(C)cc1	573390115	AMZWBVXLHDCNAE-IBGZPJMESA-N	296.458	5.063	0	20	CKAD	
CC(C)(NCc1cccc(Cl)c1)c1cccc(Cl)c1	606471048	OTHDLOJYPHZTNE-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
C[C@@H]1CC/C(=C/C(=O)Nc2ccccc2-c2cccs2)C1	753576753	GYMZVLJOUIQFSK-NXXVSJRMSA-N	297.423	5.100	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc2ccccc2[nH]1)c1ccc(C)cc1	775626121	HWXJVFCZHPISOK-YJBOKZPZSA-N	292.426	5.278	0	20	CKAD	
CC/C(C)=C(\C)C(=O)Nc1ccccc1-c1ccccc1	779715271	KCJJTHGLWZOSJR-CCEZHUSRSA-N	279.383	5.039	0	20	CKAD	
CCc1cccc(NC(=S)Nc2ccccc2C(C)C)c1	7351170	HGNCKAHNOMEVPG-UHFFFAOYSA-N	298.455	5.181	0	20	CKAD	
Cc1c([C@@H](C)N[C@H](C)c2ccccc2)oc2ccccc12	37185717	WECHKIGRPHZCPR-HUUCEWRRSA-N	279.383	5.153	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)C)cc1)c1ccccc1OC	315627322	XEWDSGXSRLHESY-IBGZPJMESA-N	297.442	5.060	0	20	CKAD	
CCCC[C@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl	409981297	RZTDLYVIZXBCTB-VIFPVBQESA-N	289.753	5.042	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)o1	477852771	MBUSSIUIBKDZRO-ZIAGYGMSSA-N	297.398	5.308	0	20	CKAD	
Cc1coc(-c2cc(NC3CCC4(CC3)CC4)ccc2C)n1	488374678	ZPJAOEYLAQUTGX-UHFFFAOYSA-N	296.414	5.093	0	20	CKAD	
CCc1cccc(C)c1NC(=O)C[C@@H](C)C1CCCCC1	508897249	JIDXLERUKMPYCO-OAHLLOKOSA-N	287.447	5.102	0	20	CKAD	
C[C@H](Nc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1	538510598	XJDZRXPSZIOACY-AWEZNQCLSA-N	292.357	5.061	0	20	CKAD	
CCC[C@@H](C)CC(=O)Nc1cc(C(F)F)ccc1Cl	580627399	FHGREMRIJZXJSF-SECBINFHSA-N	289.753	5.042	0	20	CKAD	
CCC(CC)(CC)SCC(=O)C1CCC(F)(F)CC1	762970938	LSIABLIRMGOOPB-UHFFFAOYSA-N	292.435	5.083	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1)c1cc2ccccc2s1	121982803	PXARYABZGOVWPF-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
Cc1ccc(C)c(NCc2cc3ccccc3nc2Cl)c1	139535555	JUSIZXAHTVNZBQ-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
Nc1ccc(SCc2ccc(C(F)F)cc2)c(Cl)c1	461402089	BLZDJRDHXIDDCQ-UHFFFAOYSA-N	299.773	5.152	0	20	CKAD	
Cc1nc(S[C@@H](C)c2ccc3ccccc3c2)oc1C	515852529	CWMTWMGHHFQCEC-ZDUSSCGKSA-N	283.396	5.298	0	20	CKAD	
CSCc1ccc(N[C@H](C)c2sccc2C)cc1	539734230	OOIJRMYYFDXNEW-GFCCVEGCSA-N	277.458	5.093	0	20	CKAD	
CCOCc1ccc(N[C@H](c2ccc(C)o2)C2CCC2)cc1	541767537	CYVHWFZYZRTEMS-IBGZPJMESA-N	299.414	5.078	0	20	CKAD	
Cc1c(Cl)cccc1NC(=O)CC/C=C/c1ccccc1	606156847	GFXAXQPQNMCFGY-BJMVGYQFSA-N	299.801	5.081	0	20	CKAD	
C[C@H](c1ccc(Cl)cc1)N1[C@H]2CC[C@H]1c1ccccc12	606933934	ZTHGFODCWSDQJC-UUWFMWQGSA-N	283.802	5.293	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2ccnc(Cl)c2)c1	776803063	BOXIHZJFIHQBCK-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccccc2Cl)s1	21515856	BZELGDVACOUOQU-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1ccccc1Cl	51100026	MZSYPLUQAJVCNS-ZBEGNZNMSA-N	291.847	5.203	0	20	CKAD	
CCc1ccc([C@@H](C)NCc2cccc(C(F)F)c2)cc1	131782704	RUCRDHHPLOIINY-CYBMUJFWSA-N	289.369	5.037	0	20	CKAD	
CCCOc1ccc(N[C@H](CC)c2ccsc2)cc1	382114285	LLKLOYSWPQTMIY-MRXNPFEDSA-N	275.417	5.100	0	20	CKAD	
CCCCCS[C@H](C)C(=O)Nc1ccccc1C(C)C	522756330	RLUSRASJKVVXCW-CQSZACIVSA-N	293.476	5.060	0	20	CKAD	
CC(C)(NCc1ccc(-c2ccccc2)o1)c1cccs1	523940172	YSVOPMTUQYZABS-UHFFFAOYSA-N	297.423	5.033	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@H](c1ccccc1C)C(C)(C)C	536774475	ANKMXZODSOBXID-QFBILLFUSA-N	296.458	5.136	0	20	CKAD	
CC[C@@H]1CCCCCN1C(=O)Nc1cccc2ccccc12	606916392	NDHGWYYVWFCXMA-MRXNPFEDSA-N	296.414	5.026	0	20	CKAD	
CC(C)c1ccc(NCc2cc(-c3ccccc3)no2)cc1	622179106	QQZVJQDVGHVGLS-UHFFFAOYSA-N	292.382	5.077	0	20	CKAD	
CC[C@H](C)CCCCC(=O)N1CCC[C@@H]1c1ccsc1	680024437	INGYTKJGFMJYAA-GOEBONIOSA-N	293.476	5.018	0	20	CKAD	
CC/C=C(\C)C(=O)N(CCCC)[C@@H](CC)c1ccccc1	734106109	ODUKYZVSHNUIHD-QIPRVMPFSA-N	287.447	5.123	0	20	CKAD	
CCCN(C(=O)C(C)=C(C)C)[C@@H](C)c1cc2ccccc2o1	751363752	LAWULRKDGJOLKW-HNNXBMFYSA-N	299.414	5.089	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(-c2ccccc2)cc1	773121607	RZYPROVLHUWQPK-JKSUJKDBSA-N	290.410	5.094	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc2ccccc12)c1ccncc1	177368865	LMXXZWMHHGJXJY-QRWLVFNGSA-N	290.410	5.037	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cccc(F)c2F)c(C)s1	222716599	JDNUYMWSKKSYTM-MNOVXSKESA-N	295.398	5.055	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccc1SC)c1cccs1	442787323	YEEMLTKFYKWRRB-JSGCOSHPSA-N	291.485	5.272	0	20	CKAD	
Cc1ccccc1CN[C@@H](C)c1ccc(SC(C)C)cc1	504037146	VKQVIJFKQQXSJA-INIZCTEOSA-N	299.483	5.346	0	20	CKAD	
Cc1cc(CS[C@H](C)c2ccc3ccccc3c2)no1	507881759	UTHUGNYSVNGVIY-CYBMUJFWSA-N	283.396	5.131	0	20	CKAD	
CCc1cccc(C)c1NC(=O)c1cccc(C2CCC2)c1	537300951	UVCOOPGSSXRMCH-UHFFFAOYSA-N	293.410	5.077	0	20	CKAD	
CCOCc1cccc(N[C@@H](c2ccc(C)o2)C2CCC2)c1	542698558	WITCETGDEVACQW-LJQANCHMSA-N	299.414	5.078	0	20	CKAD	
Cc1ccc(SCc2csc(-c3ccoc3)n2)cc1	594406815	NGLYNJDMJVBXIA-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CC(C)(NCc1ccccc1Cl)c1cccc(Cl)c1	606470967	IVCBEFHAFMJAJR-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
C[C@H](Nc1cccc(SC(F)F)c1)c1ccccc1	690200291	ISHBANQKKCSQTR-NSHDSACASA-N	279.355	5.174	0	20	CKAD	
c1ccc([C@@H](CC2CCCCC2)NCc2ccoc2)cc1	733331749	GRCXGDFWAPOKCZ-LJQANCHMSA-N	283.415	5.081	0	20	CKAD	
CC(C)[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)cn1	779419428	XZSOSMUVECKLON-LJQANCHMSA-N	294.373	5.183	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(-c3ccccc3)s2)o1	35013495	LVEQNLXQHMKEOX-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)c(C)s1	36953036	VXRNRECRTADROI-QWRGUYRKSA-N	295.398	5.055	0	20	CKAD	
CCOc1cc(C)ccc1N[C@H](CC)c1ccsc1	382168192	VSYLUWUTHMXKCK-CQSZACIVSA-N	275.417	5.018	0	20	CKAD	
CC1(C)CC(CC(=O)Nc2ccccc2-c2cccs2)C1	431756540	UDINBNWQHCPYEV-UHFFFAOYSA-N	299.439	5.180	0	20	CKAD	
CCc1cccnc1[C@@H](C)Nc1cccc2ccsc12	507448661	LFRBQJALFNUMOI-GFCCVEGCSA-N	282.412	5.032	0	20	CKAD	
CC(C)CCSc1nnc(-c2cccc3ccccc23)o1	525003194	RLGJLWPPRNUNLE-UHFFFAOYSA-N	298.411	5.028	0	20	CKAD	
Cc1cccc(CN[C@@H](CCCC(C)C)c2ccccc2)n1	532448009	ZZTAQTIKQMCFJW-FQEVSTJZSA-N	296.458	5.047	0	20	CKAD	
CSc1ccc(N[C@@H](C)c2nccc3ccccc23)cc1	562096752	JARGNRUAKKJHHO-ZDUSSCGKSA-N	294.423	5.130	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C(C1CCC1)C1CCC1	581032310	JOHIJBCJSIKQOX-UHFFFAOYSA-N	299.458	5.273	0	20	CKAD	
CCCCCCC(=O)N[C@H](C)c1csc2ccccc12	729958523	GXHWTAXFDMUAQT-CYBMUJFWSA-N	289.444	5.049	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2ccnc(Cl)c2)c1	776803062	BOXIHZJFIHQBCK-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
C[C@@H](Nc1csc2ccccc12)c1ccc(Cl)nc1	779185204	ODFAPQZNSGWDMS-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CCc1cccc(N[C@@H](C)c2ccc(OC(F)F)cc2)c1	20548931	QJPXVNWHFSCATP-LBPRGKRZSA-N	291.341	5.024	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)c(F)c1	21020867	APCZNGCRZIFUMQ-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)c(C)s1	36992009	DPLLTLPIVIIVAJ-NXEZZACHSA-N	299.892	5.492	0	20	CKAD	
CC(C)(C)[C@@H](NCc1cc2ccccc2o1)c1ccccc1	106123867	RBFLXKOOEXEDQA-IBGZPJMESA-N	293.410	5.310	0	20	CKAD	
Cc1nc(CS[C@H](C)c2ccccc2Cl)cs1	109087274	HYNCEPWZBYCJDP-SECBINFHSA-N	283.849	5.099	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](c1ccccc1)c1ccco1	120367244	SLGDLEJPCHLCRD-OXJNMPFZSA-N	291.394	5.028	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1ccc(F)cc1	121983835	MBSPOSOYIVYQNS-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccccc2)C(C)(C)C)cs1	381694334	FYKNZQLBMKOWMI-YOEHRIQHSA-N	287.472	5.495	0	20	CKAD	
CCC[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccsc1	443092540	JSBNLTDPJJAKMF-IAGOWNOFSA-N	289.419	5.006	0	20	CKAD	
CC[C@H](c1ccccc1)[S@@](=O)c1ccc(C(C)C)cc1	463680154	DDBDWZYXSFRKCX-QUCCMNQESA-N	286.440	5.069	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2ccc3sccc3c2)c(C)c1	471079739	CWCMENDNOBOKFS-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
FC1(F)CCC[C@@H](N[C@H](c2cccs2)C2CCCC2)C1	536843471	CQCZLIYFAOENFZ-HIFRSBDPSA-N	299.430	5.147	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cc2ccccc2o1	539044417	LRCUMMJYWVNDMQ-KDOFPFPSSA-N	291.394	5.079	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2cc(C)sc2C)c1	539734306	JENFMGXPCQSYEQ-QWHCGFSZSA-N	289.444	5.245	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cscn1)c1cc(C)sc1C	624011843	JVCUQXCPAKISNV-SMDDNHRTSA-N	294.489	5.013	0	20	CKAD	
CC(C)c1ccc(CN[C@H](C)c2cccnc2)c(C(C)C)c1	679934790	FXESCKSJWKVQBK-MRXNPFEDSA-N	296.458	5.179	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)c(F)c1	36951952	GESJBCAEHDSODX-GFCCVEGCSA-N	283.321	5.291	0	20	CKAD	
C/C=C/C=C/C(=O)Nc1c(C(C)C)cccc1C(C)C	42064460	BQFVCXPXLFRTHA-ZYUHXDNHSA-N	271.404	5.004	0	20	CKAD	
CCCCCC[C@H](CCCC)COc1ccsc1	216462134	VLEMHWWRUMHLOL-HNNXBMFYSA-N	268.466	5.904	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)c1ccc(C(C)C)cc1	471244153	CHJDIIFTZMLSDJ-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CC1=CCCCC1	472685522	JNTLBOYXFRAIJI-UHFFFAOYSA-N	299.458	5.592	0	20	CKAD	
CC[C@H](CC(=O)Nc1c(C)cccc1C(C)C)C(C)C	591666862	ZRXZPTVETQGMDQ-OAHLLOKOSA-N	275.436	5.129	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C1CCC(C)(C)CC1	622410521	JLOSUZHPUJPKGP-UHFFFAOYSA-N	287.447	5.273	0	20	CKAD	
CCCCN(C(=O)/C=C(\C)C1CC1)[C@H](CC)c1ccccc1	734102652	ILQNXVSZWZDKIN-CLHDZIPGSA-N	299.458	5.123	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccnc1)c1cccc2ccccc12	886790458	DBFUJYJAZZTPLR-YWZLYKJASA-N	290.410	5.037	0	20	CKAD	
Cc1cc(C)c(-c2nc(-c3ccccn3)sc2C)cc1C	23386474	ZUFCSDRQXGBWCF-UHFFFAOYSA-N	294.423	5.106	0	20	CKAD	
CCc1ccccc1NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC	57325136	AWZHLQUMHPETOE-HNAYVOBHSA-N	295.426	5.017	0	20	CKAD	
Cc1ccccc1CSCc1coc(-c2ccccc2)n1	104513001	NPOYAHSQNDEVQZ-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CC[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cn1	161777836	IMPJSXIWYANRPF-INIZCTEOSA-N	286.394	5.081	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CCC1CCC1	191558742	ZOSRNGBUPNVCJK-UHFFFAOYSA-N	287.447	5.281	0	20	CKAD	
CCCCCN(C(=O)Nc1ccccc1C(C)C)C(C)C	523377913	FLRDDEKJSFPDBC-UHFFFAOYSA-N	290.451	5.243	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@@H](C)c2nccs2)cc1	527908320	KYHRTRXYTJBEAD-MJBXVCDLSA-N	288.460	5.068	0	20	CKAD	
CCC[C@@H](Nc1cccc2ccsc12)c1cccnc1	541766502	CESNMVRDIOOMKP-OAHLLOKOSA-N	282.412	5.250	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccsc1)c1ccsc1	669850950	PWHLUPSHIWFAKA-BXUZGUMPSA-N	265.447	5.002	0	20	CKAD	
CCC(=CC(=O)N(CC)[C@H](C)c1cc2ccccc2o1)CC	759162652	CQJCEBAHCOCFLV-CQSZACIVSA-N	299.414	5.089	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc(N3CCCCC3)c2)c(C)o1	774282320	DUDHFYNSOQWCRN-OAHLLOKOSA-N	298.430	5.060	0	20	CKAD	
CC[C@H](N[C@H]1CSCc2ccccc21)c1ccc(C)cc1	37296057	PVVVWMMDONEVAM-OALUTQOASA-N	297.467	5.024	0	20	CKAD	
CCCc1ccc([C@@H](C)N[C@H](C)c2ccsc2)cc1	61360723	KGFHKJOBUVKBBD-ZIAGYGMSSA-N	273.445	5.112	0	20	CKAD	
C[C@H](NCCCCC(F)(F)F)c1ccc2ccccc2c1	127224802	OKJFQHJPVLIODO-ZDUSSCGKSA-N	295.348	5.223	0	20	CKAD	
Cc1cccc([C@@H]2CCCCCN2C(=O)CC2CCCC2)c1	303726393	XRJZQKRHGBFLRC-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H]1CCc2cc(C)ccc21	442773007	BMQMIJVHTFATHC-KDOFPFPSSA-N	297.467	5.055	0	20	CKAD	
CCC(C)(C)CCSc1nnc(-c2sccc2C)o1	463268286	UCNWKWDRLDBUNV-UHFFFAOYSA-N	296.461	5.025	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1csc(Cl)c1	468897674	JFXYAVOXBFKPJN-XPTSAGLGSA-N	297.876	5.265	0	20	CKAD	
CC(C)(C)c1cnc(SCc2cccc(C(F)F)c2)o1	475883699	MQYFGYSQQIKAQR-UHFFFAOYSA-N	297.370	5.202	0	20	CKAD	
CC(C)=CCNC(=O)Nc1c(C(C)C)cccc1C(C)C	479970050	YCJZSMKAANUZJQ-UHFFFAOYSA-N	288.435	5.021	0	20	CKAD	
Cc1cc(Cl)ccc1C(=O)Nc1ccccc1C(C)C	480418081	PFZGJZQMYJNVFC-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
C[C@H](S[C@H](C)c1cccc(Cl)c1)c1cccnc1	520279892	CCVNYFKIMUJBRX-NEPJUHHUSA-N	277.820	5.290	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](c2ccc(F)cc2)C2CC2)c1	540835356	KBHLBGAHXKNNEP-BFUOFWGJSA-N	299.389	5.096	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc3ccccc23)c(C)n1	679132857	CVCSYAHJEYEXOB-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
CC1=CC[C@H](Nc2cccc(C3SCCS3)c2)CC1	788706979	WSIJHOVACJRZDF-AWEZNQCLSA-N	291.485	5.076	0	20	CKAD	
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1	7610128	PBBPAYUUZQHDGX-DNVCBOLYSA-N	295.426	5.072	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)s2)c(C)c1	37772118	AYNWDQQTIZIMBC-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(Cl)s1)CC2	149488418	IKEMWJSDIPOPML-RISCZKNCSA-N	291.847	5.048	0	20	CKAD	
CCO[C@H](C)c1nc(-c2cc(C)c(C)cc2C)c(C)s1	437654444	LODKXGKRHFOBIJ-CYBMUJFWSA-N	289.444	5.141	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)c2ccccc2)c(C)c1	499805224	VYFVIADOWULILS-AWEZNQCLSA-N	299.439	5.138	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC=CC[C@H]1C	551461736	UNFMJJGHTCMKON-CRAIPNDOSA-N	299.458	5.474	0	20	CKAD	
c1ccc2c(CNc3cccc4ccsc34)nccc2c1	676907493	GSCQCXJJDVQLHV-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CC1(C)CC1	757908443	IYKGMSMGAZULLX-UHFFFAOYSA-N	291.460	5.014	0	20	CKAD	
CCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1c1ccsc1	775658853	DDJKVYPIYAWXIS-GDBMZVCRSA-N	293.476	5.018	0	20	CKAD	
CCC(CC)[C@H](NCc1cccs1)c1ccccc1	37107706	CMRYRTQFMXNSQJ-KRWDZBQOSA-N	273.445	5.015	0	20	CKAD	
Cc1ccsc1CN[C@@H](CC(C)(C)C)c1ccccc1	37128503	KWHRWWQPGMVACV-INIZCTEOSA-N	287.472	5.324	0	20	CKAD	
CC[C@@H](Nc1cccc(COC(C)C)c1)c1ccccc1	303480377	JBGLCBAOHCIWKV-LJQANCHMSA-N	283.415	5.175	0	20	CKAD	
CCOc1ccc(N[C@@H](CC)c2ccsc2)cc1Cl	382112697	LEFBOLCGLNOTPJ-AWEZNQCLSA-N	295.835	5.363	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)c2cc(F)ccc2F)s1	437270308	DDNNCJNKHAAHRU-VIFPVBQESA-N	299.411	5.033	0	20	CKAD	
Cc1ccoc1CN[C@@H](C)c1ccc(Cl)c2ccccc12	462523830	IRQSQVSCLONODH-ZDUSSCGKSA-N	299.801	5.245	0	20	CKAD	
CSc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1	517548394	PDEJLOATPHZBDN-IBGZPJMESA-N	297.467	5.040	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)c2ccccc2Cl)s1	525212168	AGRCMCQHTGCIHL-SNVBAGLBSA-N	297.876	5.408	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1ccoc1)C(C)(C)C	532521955	CCDLOEJVUGODQU-PBHICJAKSA-N	271.404	5.026	0	20	CKAD	
CC(C)c1ccc([C@H](C)CC(=O)Nc2ccccc2F)cc1	606156803	AHUKIXIUVZNYFT-CQSZACIVSA-N	299.389	5.081	0	20	CKAD	
CC(C)(C)CCC(=O)Nc1ccccc1-c1cccs1	606168558	UNIDLVOQCRBUFT-UHFFFAOYSA-N	287.428	5.180	0	20	CKAD	
Cc1ccc2nc(/C=C/c3nccc4ccccc34)ccc2c1	607059157	FGJCDSGZYZFJGJ-PKNBQFBNSA-N	296.373	5.262	0	20	CKAD	
Cc1ccc(-c2nc(CSc3ccc(F)cc3)co2)cc1	641852666	LICZRSWVZVXQEA-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
Cc1nc([C@H](C)Nc2cccc(C3CCC3)c2)c(C)s1	643322033	QFJXKPHLJJZDHE-NSHDSACASA-N	286.444	5.201	0	20	CKAD	
CSc1cc(N[C@H](c2cccnc2)C2CCC2)ccc1C	652332074	BMXJIWQOQAKSCU-SFHVURJKSA-N	298.455	5.065	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1c(C)cccc1CC	741882928	POMUIRMSNSTIMI-OAHLLOKOSA-N	275.436	5.102	0	20	CKAD	
CCc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1	7914493	FJZUZBATCULTNT-KAMYIIQDSA-N	283.758	5.127	0	20	CKAD	
CC(=O)c1c(C)cc(C)c(CNc2c(C)cccc2C)c1C	22895091	MPWCXDIRHQLKME-UHFFFAOYSA-N	295.426	5.043	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2)o1	36960329	RLOBZJIUFSDIGM-RYUDHWBXSA-N	297.320	5.019	0	20	CKAD	
CC[C@H](C)N(C)C(=O)Nc1c(C(C)C)cccc1C(C)C	47325664	FFSDBKJEABPKKE-AWEZNQCLSA-N	290.451	5.196	0	20	CKAD	
FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)c2)c1	95093294	COVAIPUHJRFGFP-UHFFFAOYSA-N	290.206	5.391	0	20	CKAD	
Cc1ccc(N[C@H](C)c2sccc2C)cc1-c1ncco1	180008295	CBUFBRIOPJYIBU-CYBMUJFWSA-N	298.411	5.193	0	20	CKAD	
CC(C)c1nc(-c2cc(Cl)sc2Cl)cs1	308907838	FIJKMBNCVLAMTL-UHFFFAOYSA-N	278.229	5.302	0	20	CKAD	
Cc1c([C@@H](C)N[C@H]2CCCc3occc32)oc2ccccc12	315712304	XJEKPLKTMDSLOV-CJNGLKHVSA-N	295.382	5.062	0	20	CKAD	
CCC[C@@H](NCc1ccc(SC)cc1)c1ccsc1	443078256	LICMRBHIRSPELY-MRXNPFEDSA-N	291.485	5.101	0	20	CKAD	
Cc1c([C@H](NCc2ccccc2)C(C)C)oc2ccccc12	482160053	RIKBDMHSOJIOHN-LJQANCHMSA-N	293.410	5.228	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(C)o1)c1ccc(F)cc1F	484510874	ZQONZKWFDPNXET-BLLLJJGKSA-N	293.357	5.058	0	20	CKAD	
CC[C@@H](N[C@H]1CCCc2occc21)c1ccc(Cl)cc1	21787774	XGMFSWWCIYOCEK-CVEARBPZSA-N	289.806	5.051	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cccs1)c1ccc(C)cc1	37048047	VODRVINPHOYNCL-HOTGVXAUSA-N	273.445	5.249	0	20	CKAD	
Cc1cc([C@H](C)NCc2cc(F)ccc2Cl)c(C)s1	98060105	DUFHRXRFRMTTOV-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
CCC(CC)n1ccc(CNc2ccc3ccccc3c2)n1	315450582	SGEQJFOGQNTARB-UHFFFAOYSA-N	293.414	5.010	0	20	CKAD	
CCSCc1cccc(N[C@@H](C)c2ccccc2F)c1	439600177	XYXVBMQNSQXDFF-ZDUSSCGKSA-N	289.419	5.252	0	20	CKAD	
CC[C@H](Nc1ccc(CSC)cc1)c1ccccc1	495728121	WHRWDWPWZLJJCI-KRWDZBQOSA-N	271.429	5.113	0	20	CKAD	
Clc1cccc(-c2nc(CSC3CCCC3)co2)c1	501520380	FLNUMXLICODPMI-UHFFFAOYSA-N	293.819	5.171	0	20	CKAD	
Cc1cc([C@@H](C)NC2(c3ccccc3)CCC2)c(C)s1	540767223	PSWSNKJSRMLZRB-CQSZACIVSA-N	285.456	5.095	0	20	CKAD	
CCCC(CCC)S[C@@H]1CCO[C@@H](c2ccncc2)C1	600520656	LQMIQXSXACGKMY-IAGOWNOFSA-N	293.476	5.004	0	20	CKAD	
CCCCSCc1ncc(-c2cccc(Cl)c2)o1	603815880	KXUMFYVKBZNCLS-UHFFFAOYSA-N	281.808	5.028	0	20	CKAD	
CC(C)c1nc(CS[C@@H](C)c2cccc(F)c2)cs1	604060957	WHTXOHCIKSVHIF-NSHDSACASA-N	295.448	5.400	0	20	CKAD	
CCc1ccc(Cl)c(CC)c1NC(=O)CCC(C)(C)C	606158991	FQFQGNXUFFTRKB-UHFFFAOYSA-N	295.854	5.230	0	20	CKAD	
CCc1c([C@H](C)N[C@@H](C)c2ccc[nH]2)oc2ccc(C)cc12	776171778	PYEHAAZAWAFCSJ-KBPBESRZSA-N	296.414	5.044	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccccc2C(F)(F)F)cc1	21513813	UTKMYAFSDCSIKO-GFCCVEGCSA-N	279.305	5.187	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cc(C)oc1C)c1ccccc1	37062563	VMSWZSBUZINWNJ-KDOFPFPSSA-N	271.404	5.088	0	20	CKAD	
Cc1ccc([C@H](C)NCc2csc3ccccc23)s1	49592707	DLSDHNBYUTUYSY-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
CCc1ccccc1NC(=O)[C@H](c1ccccc1)[C@@H](C)CC	57325139	AWZHLQUMHPETOE-KXBFYZLASA-N	295.426	5.017	0	20	CKAD	
CCC/C=C/C(=O)Nc1ccccc1SC1CCCC1	63769336	ZCZCDPLXGLXBLY-YIXHJXPBSA-N	289.444	5.016	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](C)c1ccccc1Cl	70089894	KGYZSSPFSHBAFC-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](c1ccccc1)c1ccco1	70091045	IHIGFIHEDADALN-YOEHRIQHSA-N	297.423	5.090	0	20	CKAD	
Cc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1F	110975618	XYARMNVNXCGEQS-SFHVURJKSA-N	285.406	5.011	0	20	CKAD	
CC[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccsc1	382124930	NLCILKIDJPYTQT-AWEZNQCLSA-N	294.851	5.031	0	20	CKAD	
FC(F)(F)CCCCSc1cccc2cccnc12	443525429	YLQHHMMTJINJMN-UHFFFAOYSA-N	285.334	5.060	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)o1	467377702	RDKSLDVKNPZSLE-OLZOCXBDSA-N	283.371	5.000	0	20	CKAD	
Cc1csc(C(=O)Nc2ccccc2C(C)C)c1Cl	478576472	PMJZSQJZFOOPOE-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ncccc2C)C(C)C)c(C)c1	483128377	POQJBKVAUOIHKK-PKOBYXMFSA-N	296.458	5.055	0	20	CKAD	
COc1cc(CSc2ccc(C)cc2)ccc1SC	520996132	HDVPUWUYUHWNKJ-UHFFFAOYSA-N	290.453	5.018	0	20	CKAD	
C[C@H]1CCC[C@H](SC2=Nc3ccccc3CS2)C1	735414265	MXXXISGEQBQORO-AAEUAGOBSA-N	277.458	5.233	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1ccc(F)cc1Cl	741877280	BGZQGENAEYZJHQ-NSHDSACASA-N	285.790	5.024	0	20	CKAD	
C[C@@H]1CSC(S[C@H](C)c2ccc3ccccc3c2)=N1	766296161	ZZPLEFQRTGAQSM-VXGBXAGGSA-N	287.453	5.125	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc(N3CCCCC3)c2)oc1C	800485137	DZQODUMPZSJRPU-OAHLLOKOSA-N	298.430	5.060	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2ccc(C)s2)cc1	36994379	LMIYPBJVCFQEBG-STQMWFEESA-N	291.485	5.190	0	20	CKAD	
CC(C)c1nc2cc(N[C@@H](C)c3cccs3)ccc2o1	37136842	HNGXPPJXHMCNQQ-NSHDSACASA-N	286.400	5.186	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(C(F)F)cc2)cc1C	461377803	NPMKZVMZKIVYPO-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
CC[C@H](N[C@@H](c1cccs1)C1CC1)c1ccccc1F	491261946	WLWWKWCLXLJGKQ-DOTOQJQBSA-N	289.419	5.079	0	20	CKAD	
CSc1ccc([C@H](C)NCc2ccc3occc3c2)cc1	512350339	MFECVKBWPFGBKP-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
C[C@@H](S[C@H](C)c1cccc(Cl)c1)c1cccnc1	520279895	CCVNYFKIMUJBRX-VXGBXAGGSA-N	277.820	5.290	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1ncc(C)o1)c1ccc(Cl)cc1	537747951	GCGVUERVVCQOFV-SMDDNHRTSA-N	295.835	5.582	0	20	CKAD	
Cc1ncc(CSCc2ccc(C(C)C)cc2)s1	570995057	AHBLAUSQKBBOCP-UHFFFAOYSA-N	277.458	5.008	0	20	CKAD	
c1ccc([C@H](N[C@H]2CCCc3ccccc32)C2CCC2)cc1	591377502	PUTMPCZRHCWDBW-SFTDATJTSA-N	291.438	5.195	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)N(C)CCC(C)(C)C	646169198	OONVEKROINPKMM-UHFFFAOYSA-N	290.451	5.018	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccoc1)c1ccc(Cl)cc1	742374596	ZADXETPEFJHAEX-INIZCTEOSA-N	291.822	5.200	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)/C=C/C2CCCCC2)c1C	765183668	ULYYSKYQRCVREL-PKNBQFBNSA-N	291.822	5.032	0	20	CKAD	
C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)c1ccco1	37128589	NTDFJDDFURFPLA-GOEBONIOSA-N	271.404	5.108	0	20	CKAD	
CC(C)c1ccc([C@@H](C)N[C@H](C)c2ccsc2)cc1	50341865	CVKGYMJJDYVNOT-ZIAGYGMSSA-N	273.445	5.283	0	20	CKAD	
Fc1ccc(/C=C(/Cl)c2nc3ccccc3s2)cc1	213508788	YQHASBAQMHGSLD-FMIVXFBMSA-N	289.762	5.172	0	20	CKAD	
Cc1ccc2cccc(NCc3ccc(C(F)F)cc3)c2n1	388181274	MWCYSNFNRLSOIW-UHFFFAOYSA-N	298.336	5.093	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2oc3ccccc3c2C)c(C)c1	513098559	ILQHUCPTGGRZDN-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccc1)c1ccc(Cl)s1	532222570	SSKUYDFZLUZRMR-AAEUAGOBSA-N	279.836	5.203	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H](C)c2cccc(Cl)c2)o1	538849430	CJSKVPRADUWECC-MNOVXSKESA-N	281.808	5.192	0	20	CKAD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1ccsc1	765833567	MRKFFUWUHFMPIQ-RYUDHWBXSA-N	287.453	5.375	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2occc21)c1csc2ccccc12	774171737	MWWZFIHRUSINGV-BLLLJJGKSA-N	297.423	5.223	0	20	CKAD	
CCCCCC[C@H](C)NC(=O)c1occc1-c1ccccc1	881467765	YFFUDOBLYSMUAU-HNNXBMFYSA-N	299.414	5.035	0	20	CKAD	
COc1ccc2cc(-c3cccc(Cl)c3)ccc2c1	15443418	KOSJRNXKSWBQAQ-UHFFFAOYSA-N	268.743	5.169	0	20	CKAD	
Cc1ccccc1CN[C@H](c1ccc(F)cc1)C(C)(C)C	37119017	HRQXECQSBWPGIS-GOSISDBHSA-N	285.406	5.011	0	20	CKAD	
CC[C@@H](N[C@H](c1ccc(F)cc1)C(C)C)c1ccsc1	382083574	FXBFDHKZRDSIEG-SJORKVTESA-N	291.435	5.325	0	20	CKAD	
C[C@H](N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccco1	531708010	WUMGAMOQILCWLM-UGSOOPFHSA-N	287.378	5.001	0	20	CKAD	
CC[C@H](N[C@H](CC)CC(F)(F)F)c1ccc(Cl)s1	544830220	UXCJQNWCUOYAEY-BDAKNGLRSA-N	299.789	5.173	0	20	CKAD	
Cc1cccc([C@H](C)C(=O)Nc2ccccc2C(C)(C)C)c1	565682701	IAORRNSCFUVFSP-HNNXBMFYSA-N	295.426	5.035	0	20	CKAD	
Cl/C(=C/c1cccc(Cl)c1)c1nc2ccccc2o1	747159939	BGDWZKCZBWVNFZ-FMIVXFBMSA-N	290.149	5.218	0	20	CKAD	
Cc1ccccc1NC(=S)Nc1csc2ccccc12	778528799	PZBRNHODOZPUOS-UHFFFAOYSA-N	298.436	5.019	0	20	CKAD	
CC/C=C(/C)C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1	921164092	JGQKXFOLXHABDX-KQGZCTBQSA-N	299.414	5.089	0	20	CKAD	
Cl/C(=C\c1ccc(Cl)s1)c1nc2ccccc2o1	14179989	JVFSNBIEZJICML-CLFYSBASSA-N	296.178	5.280	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1	21505270	OPRAOAOPYXXDAH-GFCCVEGCSA-N	295.304	5.067	0	20	CKAD	
CC(C)[C@H](NCc1ccc(Cl)o1)c1ccc(Cl)cc1	37489538	MCKXYKYPASJABU-HNNXBMFYSA-N	298.213	5.073	0	20	CKAD	
c1cnc2ccc(CNc3ccc(C4CCC4)cc3)cc2c1	487166180	XQBKEPMHOSDWTF-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
FC1(F)CCC(N[C@H](c2cccs2)C2CCCC2)CC1	540148317	ZHTAYHYMNWRBQQ-HNNXBMFYSA-N	299.430	5.147	0	20	CKAD	
O=[S@](Cc1ccccc1)c1ccc(C2CCCCC2)cc1	557518408	HEEISTYJCJJBRJ-OAQYLSRUSA-N	298.451	5.042	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)c1	776777673	VQURPCZIVRPCRW-JTQLQIEISA-N	295.213	5.057	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2cc3ccccc3[nH]2)c1	926084863	LFIJUYUHOVLCMB-UONOGXRCSA-N	294.398	5.048	0	20	CKAD	
Cl/C(=C\c1ccccc1)c1nc2ccccc2s1	7907673	VNYMFAGXXPIITK-BENRWUELSA-N	271.772	5.033	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H](C)c2cccs2)oc2ccccc12	37235074	DFDKEUGSPRUGKR-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)c1	37301610	OGYIUHALRXYBKC-GJZGRUSLSA-N	279.383	5.153	0	20	CKAD	
C[C@H](Nc1cccc(-c2nccs2)c1)c1ccc(F)cc1	37778310	ONEWYOZOOQZSJL-LBPRGKRZSA-N	298.386	5.122	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1cccc(C)c1C	46416116	AJMJPCAQTSRRTR-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
Cc1ccc(O)cc1Cc1ccc(-c2ccc(F)cc2)s1	204526877	MRZRMEXCWYPOOE-UHFFFAOYSA-N	298.382	5.159	0	20	CKAD	in-vitro
Cc1ccc(SCc2ncc(-c3ccc(F)cc3)o2)cc1	302736046	HZBMUWXPYJXNIB-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](CC(C)C)c2ccccc2)cs1	381745518	MRYJMRXQGWLXKW-YJBOKZPZSA-N	287.472	5.495	0	20	CKAD	
CC(C)c1ccc(NC(=O)C2(CCF)CC2)c(C(C)C)c1	463392732	MRWIYRVPQKATCB-UHFFFAOYSA-N	291.410	5.012	0	20	CKAD	
Cc1ccccc1SCc1ncc(-c2cccs2)o1	518789163	CSRUYQHROGZYPX-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C[C@H](Sc1cccs1)c1ncc(-c2ccccc2)o1	525431587	QKJTZMFMKSOERC-NSHDSACASA-N	287.409	5.256	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](CC(C)C)c2cccs2)o1	537991743	PIEOUMVFFSHTKO-ZIAGYGMSSA-N	277.433	5.088	0	20	CKAD	
c1csc(SCCCSc2cccs2)c1	554733631	FVYPEIZCPJZDSU-UHFFFAOYSA-N	272.485	5.084	0	20	CKAD	
CCOc1ccccc1-c1nc(-c2ccccc2F)cs1	616020891	DUVWMWJVFOWKIG-UHFFFAOYSA-N	299.370	5.015	0	20	CKAD	
FC(F)(F)Cc1ccccc1CNc1ccccc1Cl	630062947	JUHYHNKMEPBPRK-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
CC(C)c1ccc(CN[C@H](c2ccccc2)C2CC2)cc1	35053059	IXQLSCZQJTUTNS-HXUWFJFHSA-N	279.427	5.051	0	20	CKAD	
CCCCC[C@@H](NCc1ccsc1)c1ccccc1	62815788	WUKVUBGPNOCGQT-QGZVFWFLSA-N	273.445	5.159	0	20	CKAD	
C[C@H](N[C@H](C)CCCC(F)(F)F)c1ccc(Cl)s1	163286007	AVPGURZRSRQCCU-BDAKNGLRSA-N	299.789	5.173	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1	314171266	ZMIJHSHMZDXXDA-SJORKVTESA-N	297.442	5.194	0	20	CKAD	
Cc1csc(CN[C@@H](C)c2ccc(C(C)C)cc2)c1	379295523	XDQRCVKTYUAJIY-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
Cc1ccc(N[C@H](C)c2csc(C(C)C)n2)c(C)c1	469785424	BUZXANGCHGXVTA-CYBMUJFWSA-N	274.433	5.056	0	20	CKAD	
Clc1ccc(-c2ccccc2)cc1NCc1cccnc1	475355093	OLWRSIFJWOSFFH-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)CC2CC2)c1	484682027	STIGFEBDUAGSLB-UHFFFAOYSA-N	299.801	5.054	0	20	CKAD	
Cc1ccc2oc(CN[C@H](C)c3ccc(Cl)cc3)cc2c1	577802360	UUFTYYSUVSPZBO-CYBMUJFWSA-N	299.801	5.245	0	20	CKAD	
Clc1ncccc1CNc1ccc(-c2ccccc2)cc1	751264569	GXQHIRNCHOZMFG-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
Cc1cc(CNc2cccc(C(F)F)c2Cl)c(C)o1	757937829	RTRBEBMQLXJKMD-UHFFFAOYSA-N	285.721	5.100	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1ccc(Cl)nc1	777706925	FVRXTVFZKMFVEP-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CC[C@H](N[C@H](C)c1nccs1)c1cccc2ccccc12	886790998	UEBMASVBXXQMBX-DYVFJYSZSA-N	296.439	5.098	0	20	CKAD	
c1ccc2c(c1)-c1ccccc1C21[C@H]2CC3CC(C2)C[C@@H]1C3	2332237513	LGYQERJJBDQQHH-GWEOLNPGSA-N	286.418	5.409	0	20	CKAD	
Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)c(C)s1	25869454	ALGFSFKXGOBALK-UHFFFAOYSA-N	287.428	5.049	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2Cl)o1	36960026	BBENEFLGSIZEBD-QWRGUYRKSA-N	298.213	5.307	0	20	CKAD	
CC(C)Oc1ccccc1N[C@@H](C)CCCC(F)(F)F	163329247	HLSHYUNTRQHEDN-LBPRGKRZSA-N	289.341	5.007	0	20	CKAD	
CCCCN(C(=O)[C@@H]1CC=CCC1)[C@@H](CC)c1ccccc1	303624020	XLAYCMOIXHGNHN-MOPGFXCFSA-N	299.458	5.123	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12	451293996	IOWKOPHNXURIFX-BQFCYCMXSA-N	299.458	5.137	0	20	CKAD	
CCSc1ccccc1[C@@H](C)N[C@@H]1CCCC(F)(F)C1	540158880	QUNXARPTLKMITH-CHWSQXEVSA-N	299.430	5.027	0	20	CKAD	
Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@@H](C)c1ccoc1	540835741	WEXDVZHBYDSGBW-HOTGVXAUSA-N	298.430	5.140	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2c(C)cccc2C)s1	545519475	MEFTVOCPEGKLQI-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](C)c2csc(C(C)C)n2)cc1	566027885	MJYWCSSWYJLOMW-SZZPACECSA-N	286.444	5.473	0	20	CKAD	
CCc1ccc(N[C@@H](C)c2ccc(C(F)F)nc2)cc1C	657951796	BOVLHCVORVAYML-LBPRGKRZSA-N	290.357	5.063	0	20	CKAD	
Cc1ccsc1CN[C@H](C)c1cccc2ccccc12	21500255	PVLCKLHUCVSOFF-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CC[C@H](NCc1ccc(C)c(F)c1)c1ccc(Cl)cc1	110975523	DTXZQRRWAISNIS-KRWDZBQOSA-N	291.797	5.028	0	20	CKAD	
C[C@H]1C[C@H](N[C@@H](C)c2ccccc2)c2ccsc2S1	130183293	DKNJMUJBCOWHPC-HUBLWGQQSA-N	289.469	5.024	0	20	CKAD	
CCCOc1cccc(N[C@@H](CC)c2ccsc2)c1	382116764	LXOKVJSAXXSGEG-INIZCTEOSA-N	275.417	5.100	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1ccc(F)c(Cl)c1	386359284	VYHGEWHZFSPSGU-VIFPVBQESA-N	299.723	5.590	0	20	CKAD	
CC[C@@H](C)[C@H](NCc1cccs1)c1ccc(Cl)cc1	462769789	ZJPAQRGULLEVKZ-WBMJQRKESA-N	293.863	5.279	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2ccsc2)c1	538628848	RKTJTPSBZIDYFP-LLVKDONJSA-N	263.431	5.033	0	20	CKAD	
COCc1cccc(N[C@@H](c2ccc(C)o2)C2CCCC2)c1	541770347	WDNFAADYUKXJQW-LJQANCHMSA-N	299.414	5.078	0	20	CKAD	
CC[C@@H](NCc1ccc2sccc2c1)c1cccs1	582032720	VXMAFUBAALHALZ-CQSZACIVSA-N	287.453	5.204	0	20	CKAD	
CCCCc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)cc1	678426972	LPZPDNJBSYVGQY-IAGOWNOFSA-N	296.458	5.144	0	20	CKAD	
ClC1(Cl)C[C@@H]1CNc1cccc(-c2cccs2)c1	725795991	MRJMOHPVXNWCNV-LLVKDONJSA-N	298.238	5.021	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1C	303089259	CNTJIDDQNSJJLV-GFCCVEGCSA-N	293.476	5.260	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(C)c1	409865538	GFIGJSOZRDPFRZ-LSDHHAIUSA-N	285.456	5.129	0	20	CKAD	
Cc1cccc([C@@H](N[C@@H](C)c2cccc(O)c2)C(C)(C)C)c1	442779915	MDZVVRALVQZBEN-HNAYVOBHSA-N	297.442	5.139	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2ccc(Cl)cn2)c1	480172454	SXMRYPYQGWYZIR-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
Cc1cc2cc(CN[C@@H](C)c3cc(C)sc3C)ccc2[nH]1	584426729	OMMMHTNDEQTBNR-ZDUSSCGKSA-N	298.455	5.005	0	20	CKAD	
CCO[C@H](C)c1nc(CSCC2CCCCC2)cs1	609918382	XFIFIUHWLKGTLS-GFCCVEGCSA-N	299.505	5.054	0	20	CKAD	
Cc1cc(C)c([C@H](C)Sc2nc(C)c(C)o2)c(C)c1	620259077	JOPMMJNVZVYRHE-AWEZNQCLSA-N	275.417	5.070	0	20	CKAD	
C[C@H](Sc1nnc(-c2ccccc2)s1)c1ccccc1	729940121	LMTPDKQWSDKCLR-LBPRGKRZSA-N	298.436	5.058	0	20	CKAD	
CC(C(=O)Nc1ccccc1-c1cccs1)=C1CCCC1	753576732	GERUAJMSTXDDFE-UHFFFAOYSA-N	297.423	5.244	0	20	CKAD	
CC(C)c1cnc(CSCc2cccc(F)c2Cl)o1	771699571	UOEBJPXOPALKRJ-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
CCC(CC)(CC)S[C@H]1CCO[C@H](c2cccnc2)C1	863326846	SZHYJUOLVMUNFH-HOTGVXAUSA-N	293.476	5.004	0	20	CKAD	
CC[C@H](N[C@@H]1CCCc2occc21)c1ccc(Cl)cc1	21787771	XGMFSWWCIYOCEK-JKSUJKDBSA-N	289.806	5.051	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccc(Cl)o1)c1ccccc1	37509396	NPHGZUBXRVMRBR-OAHLLOKOSA-N	291.822	5.200	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1cc2ccccc2o1	42330555	WXIFJWPHKCZQBF-KPZWWZAWSA-N	297.423	5.296	0	20	CKAD	
CC(C)c1ccc(CN[C@@H](c2cccs2)C2CC2)cc1	44298132	JFOJYLQVNNBHBK-GOSISDBHSA-N	285.456	5.112	0	20	CKAD	
Cc1ccc(-c2ccc(C)c(N[C@H](C)c3ccccn3)c2)o1	475506196	XFYWMNJIVMWOQV-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](CC)c2ccc(Cl)s2)o1	483137680	VCJBQBWDWKCPEQ-PWSUYJOCSA-N	297.851	5.359	0	20	CKAD	
c1ccc2ncc(CNc3csc4ccccc34)cc2c1	486535258	JBAGYIWVCXXLLM-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccsc1)c1ccc(Cl)s1	511019546	UDKJCHZYXPCKLK-MWLCHTKSSA-N	285.865	5.265	0	20	CKAD	
CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	538115258	OVHQMKTWQQLDBA-JKSUJKDBSA-N	296.458	5.179	0	20	CKAD	
F[C@@H](CC1CCCCC1)c1nc([C@H]2CCCCS2)no1	561905289	GFTXCMSAZDDGLB-QWHCGFSZSA-N	298.427	5.009	0	20	CKAD	
C[C@H](Sc1ccc2ccccc2c1)c1ccncc1	619948833	OUGKRZZVVIUGMH-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CCC	682656831	PXOUIICTPKGALM-CQSZACIVSA-N	290.451	5.073	0	20	CKAD	
Cc1ccc([C@H]2CCCN2C(=O)C2CCCCCCC2)cc1	741667733	MEQHANZPPDKMQL-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@H](C)c3ccc(C)s3)oc2c1	756029417	BBOITWFKKRNDNL-ZIAGYGMSSA-N	299.439	5.523	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccccc1F)c1ccccc1	37128632	ONCJOIDYXVTYSK-GOSISDBHSA-N	285.406	5.093	0	20	CKAD	
C[C@@H](c1cccs1)N(C)C(=O)CCCC1CCCCC1	57833595	BSARAOYKEYBZDE-AWEZNQCLSA-N	293.476	5.018	0	20	CKAD	
Cc1csc(CN[C@@H](C)c2ccc3ccccc3c2)c1	379147589	UUMPCZHFIGUPOT-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)oc1C	502686111	UFQDXJAALSUHMC-ACJLOTCBSA-N	289.394	5.083	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)s1)c1ccc(F)cc1F	531969045	LKTCJWWJHUWXDN-ABAIWWIYSA-N	295.398	5.137	0	20	CKAD	
CCSc1ccccc1[C@H](C)NC1(c2ccccc2)CC1	539624273	KUBILLIMUDDFRH-HNNXBMFYSA-N	297.467	5.139	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H]2CCCc3cc(F)ccc32)c1	539735403	YYMDRIFVPNRBSK-ORAYPTAESA-N	299.389	5.023	0	20	CKAD	
C[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)(C)C	734422028	NYWKUSTWFQTJNL-AWEZNQCLSA-N	296.414	5.051	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1cccs1	19900854	WWYPDDMPEDFLOY-LBPRGKRZSA-N	253.370	5.074	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccsc1	50342779	DCLWCDCRULHQGK-LRDDRELGSA-N	291.435	5.325	0	20	CKAD	
CSc1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1	186446464	DTCMUWUFZLOBAK-NSHDSACASA-N	292.473	5.162	0	20	CKAD	
CCCC[C@H](C)C(=O)Nc1c(CCC)cccc1C(C)C	409962492	RHZGNJLIMJIRCV-HNNXBMFYSA-N	289.463	5.527	0	20	CKAD	
CC[C@H](Nc1ccc(CCSC)cc1)c1ccccc1	495670396	RBHPTYNBNACWOE-SFHVURJKSA-N	285.456	5.155	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccsc1	550795744	KBAJFACQDPUAQH-STQMWFEESA-N	271.429	5.037	0	20	CKAD	
C[C@@H](SCc1cccc(Cl)n1)c1cc(F)ccc1F	743248626	KWVYLWOEVHWDBA-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(Cl)c2F)s1	775667447	RMXIMDFPVSPBNX-MNOVXSKESA-N	297.826	5.261	0	20	CKAD	
Cc1nc([C@@H](C)N[C@H](C)c2cccc3ccccc23)cs1	36915345	IYHIFTFVVLRKEX-CHWSQXEVSA-N	296.439	5.017	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1cccc2ccccc12	70092083	QJIYOYQXXKAWIM-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1)c1cccc2ccccc12	219867531	PPOXPUOVIDEQPT-CABCVRRESA-N	293.385	5.391	0	20	CKAD	
C[C@@H]1CC[C@@H](N[C@H](C)c2ccsc2)c2ccccc21	228129994	QFQQHZYXIYNWLO-PBFPGSCMSA-N	271.429	5.037	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1ccsc1)c1ccc(Cl)cc1	382173950	WRUIWFZVHJKUKZ-HZPDHXFCSA-N	293.863	5.594	0	20	CKAD	
Cc1ccoc1CNc1cccc(COC2CCCCC2)c1	535843992	HOWHRDMRYBMXAH-UHFFFAOYSA-N	299.414	5.049	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](C)c1c(F)cccc1Cl	536878133	PXWLTHRKUCIONI-GHMZBOCLSA-N	297.826	5.261	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1	558256657	OGQPDJSHQMKDHX-BYPUDFOVSA-N	295.430	5.204	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C1(C)CCC1	750185794	CSPIGHSGLKZNTI-UHFFFAOYSA-N	291.460	5.014	0	20	CKAD	
CC[C@@H](SC1=N[C@H](C)CS1)c1ccc(Cl)cc1	760184694	VVEAVRPFMWAUOX-BXKDBHETSA-N	285.865	5.016	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2F)s1	775667449	RMXIMDFPVSPBNX-WDEREUQCSA-N	297.826	5.261	0	20	CKAD	
CCCCCN(CCCCC)C(=S)Nc1ccsc1	790307720	VHDWRPDBYNTQPQ-UHFFFAOYSA-N	298.521	5.127	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1nccc2ccccc12	810229403	CYUQCNPSIYTMBI-OAHLLOKOSA-N	298.389	5.561	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)s1)c1ccc(C)cc1	37048144	MKJRHRFMYZBGIV-ZBFHGGJFSA-N	273.445	5.167	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1F)c1ccc(F)c(Cl)c1	37764675	DPIAIQHPEQBVOE-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
Cc1cc([C@@H](C)Nc2nccc3sccc23)c(C)s1	48335261	SGDUDKAZJFJRQN-SNVBAGLBSA-N	288.441	5.148	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](c1ccccc1)c1ccco1	120367130	SLGDLEJPCHLCRD-OXQOHEQNSA-N	291.394	5.028	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(OC(C)C)cc2)cs1	381647257	XZUCBHPFEHMHHR-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
COCc1cccc(N[C@H](C)c2cccc3ccccc23)c1	386222887	FSAFVEQYTBJVQC-OAHLLOKOSA-N	291.394	5.159	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)c(C)o1	447525927	AHHYLXAUXKMZBD-KUHUBIRLSA-N	283.415	5.088	0	20	CKAD	
Cc1c(CSC(C)C)cccc1NC(=O)CCC(C)C	460262474	SPAGRINLTULJBD-UHFFFAOYSA-N	293.476	5.011	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H](C)c2ccc3ccccc3c2)o1	537747640	DDOUIFPVVDJVFM-UONOGXRCSA-N	297.423	5.692	0	20	CKAD	
C[C@H](S[C@H](C)c1cccc2ccccc12)c1cnccn1	545942427	KNCJGSLVVUMIRO-KGLIPLIRSA-N	294.423	5.185	0	20	CKAD	
C[C@H]1C[C@@H](N[C@H](C)c2cc3ccccc3o2)c2ccccc21	566820621	KJXNSXZRXPKABF-PMUMKWKESA-N	291.394	5.332	0	20	CKAD	
CC(C)c1ccsc1C(=O)N1CC[C@@H](C)c2ccccc21	620590598	ILUGUXOULVWNSS-CYBMUJFWSA-N	299.439	5.026	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc(CC(F)(F)F)c2)c(C)o1	683693187	QHRGGGHPCUJYLP-LLVKDONJSA-N	297.320	5.174	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1ccncc1)c1ccccc1	37217834	BDBOMNIQNMPZKG-QFBILLFUSA-N	282.431	5.054	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)o1	37280489	OFJUSRYWPVWPDM-KBPBESRZSA-N	283.371	5.054	0	20	CKAD	
CCc1ccc(N[C@@H](C)c2cnc3ccsc3c2)cc1	68690455	LVZVYMMDBVDHMK-LBPRGKRZSA-N	282.412	5.032	0	20	CKAD	
CC(C)c1cnc(CNc2cccc(-c3cccs3)c2)o1	85275518	BELHKEGJYPQDQR-UHFFFAOYSA-N	298.411	5.139	0	20	CKAD	
Cc1nnc([C@H](C)S[C@H](C)c2ccc3ccccc3c2)o1	125325589	SJTNONSYXHWRBN-NEPJUHHUSA-N	298.411	5.087	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2csc(Cl)c2)s1	230408489	IAWIVSQELZSHCB-NXEZZACHSA-N	285.865	5.183	0	20	CKAD	
O=C(CCCC1CCCCC1)N1CCC[C@H]1c1ccccc1	247805941	ZGZYOEDMRDSYHQ-IBGZPJMESA-N	299.458	5.101	0	20	CKAD	
CCC[C@H](CC)S[C@H](C)c1nnc(-c2ccccc2)o1	477043652	AEGWQQNJBDEZBA-OCCSQVGLSA-N	290.432	5.110	0	20	CKAD	
CSCc1ccc(N[C@H](C)c2ccc(F)cc2F)cc1	537531918	ZIHOVHZPNGKISC-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
C[C@H](N[C@H](C)c1ccon1)c1ccc(C2CCCCC2)cc1	543627382	VPBTXIOJIZYURV-LSDHHAIUSA-N	298.430	5.134	0	20	CKAD	
O=C(CC1=CCCCC1)Nc1cccc(C(F)F)c1Cl	565069039	ILWHJILXPSFTLW-UHFFFAOYSA-N	299.748	5.107	0	20	CKAD	
CCc1cccc(C)c1NC(=O)CC1CCC(C)(C)CC1	622322020	XWJDHTXLNPSQCJ-UHFFFAOYSA-N	287.447	5.102	0	20	CKAD	
O=C(/C=C\C1CCCCC1)Nc1cccc(Cl)c1Cl	735420423	QHBBIDZBVNOICK-KTKRTIGZSA-N	298.213	5.068	0	20	CKAD	
CCCCCCC(=O)N1CCCC[C@@H]1c1ccc(C)cc1	741591530	ATSDZCIMGNSLGH-GOSISDBHSA-N	287.447	5.019	0	20	CKAD	
Cc1cc(N[C@H](C)c2ccc(F)cc2)ccc1OC(C)C	743480668	VDEFVAJRJNCTKX-CQSZACIVSA-N	287.378	5.094	0	20	CKAD	
CC[C@@H](C)c1cccc(NC(=S)Nc2ccsc2)c1	863204974	NWUSLQIRWBQBEP-LLVKDONJSA-N	290.457	5.071	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)s1	36992237	CFCZBDYWQZSLLI-ZJUUUORDSA-N	285.865	5.183	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3s2)o1	121989824	DGAGUEMXKITEQV-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
COCc1ccccc1N[C@@H](C)c1cccc2ccccc12	315534599	JOAMYDVHTSLISM-HNNXBMFYSA-N	291.394	5.159	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccccc2)C(C)(C)C)cs1	381694331	FYKNZQLBMKOWMI-RHSMWYFYSA-N	287.472	5.495	0	20	CKAD	
CCCC[C@@H](NCc1cc(C)cs1)c1ccccc1	394213408	FXSQHOYNCUTHQU-QGZVFWFLSA-N	273.445	5.078	0	20	CKAD	
CC[C@H](N[C@H](CC(F)F)c1ccccc1)c1ccsc1	421882342	RYPCXBDXRWYNAZ-LSDHHAIUSA-N	295.398	5.185	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)C1CCC(F)(F)CC1	474047540	XFYNPTCQNGKWHV-SNVBAGLBSA-N	289.316	5.250	0	20	CKAD	
CCC[C@@H](CC)SCc1csc([C@H](C)OCC)n1	477090889	RMLJCOWSGIFJKY-WCQYABFASA-N	287.494	5.053	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H]2CCSc3ccccc32)c1C	531711742	WEKMPNWIAWVBSN-QAPCUYQASA-N	297.467	5.191	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccccc1	559876088	CMFCOZLYJDRFMQ-QGZVFWFLSA-N	289.369	5.039	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H]2C[C@@H](C)c3ccccc32)c1	584255867	ZOIDPBQEBSCKDW-PJIJBLCYSA-N	281.399	5.054	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1ccccc1F	630060481	ZNSQJKREPDWZIL-NSHDSACASA-N	279.305	5.111	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2csc3ccccc23)cc1F	731451851	IJZNBFOLSMVKLI-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
C[C@H](SC1=Nc2ccccc2C1)c1ccc(F)c(F)c1	740766700	WRKRLFWRNZTZPT-JTQLQIEISA-N	289.350	5.045	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccsc1	61361554	AHUKBTOHKKXVIG-BDJLRTHQSA-N	291.847	5.203	0	20	CKAD	
C[C@@H](c1cccs1)N(C)Cc1cccc2ccccc12	302876477	OWKFBZXLWVOMNH-AWEZNQCLSA-N	281.424	5.094	0	20	CKAD	
CSc1cccc(NCc2ccc(C(F)F)cc2)c1C	460764489	FSWQAKSWJGWXDX-UHFFFAOYSA-N	293.382	5.267	0	20	CKAD	
Cc1cc(C)cc([C@H](C)NCc2cc3cc(F)ccc3o2)c1	462749910	VUWJNFOYOCPINO-AWEZNQCLSA-N	297.373	5.040	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@@H]1CCC[C@H]1c1ccccc1	480252792	FIMSYOJSFRIDNA-VNQPRFMTSA-N	299.380	5.033	0	20	CKAD	
CCC[C@H](N[C@H](c1ncccc1C)C(C)C)c1ccccc1	483141265	GVKJSJBWPCPGLB-OALUTQOASA-N	296.458	5.218	0	20	CKAD	
CCCc1ccc([C@@H](N[C@@H](C)c2cccnc2)C(C)C)cc1	533547445	FZBLEIHVLYHIHQ-JXFKEZNVSA-N	296.458	5.082	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2ccc(C)c(C)c2)c1	538636370	SXJYXRDUYVTGOL-CVEARBPZSA-N	283.415	5.184	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2csc3ccccc23)c1	743475772	VQXHVUQOPCUXNF-GJZGRUSLSA-N	295.451	5.622	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C[C@H](C)C1CC1	920436033	QWNPTYNRFPVZPR-AWEZNQCLSA-N	293.410	5.037	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1Cl	37773339	VQXZWVOHMVGZKW-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
Cc1ccc(NCc2csc(C3CCCC3)n2)c(C)c1	444424902	ZIPCUXZXIYXAOX-UHFFFAOYSA-N	286.444	5.030	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2sccc2OC)c1	471605139	ZIDLYBXETRZEQD-NSHDSACASA-N	293.457	5.042	0	20	CKAD	
C[C@@H](Sc1ccc2ccccc2c1)c1cccnc1	522515165	GVGXBYXRWYRTBO-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
CCC[C@H](NCc1cscc1Cl)c1ccccc1	775775247	AXZNQAMQUFDULB-HNNXBMFYSA-N	279.836	5.033	0	20	CKAD	
FCc1ccc(CNc2ccc(SC(F)F)cc2)cc1	777541279	VOIVTYCJZFOOCX-UHFFFAOYSA-N	297.345	5.083	0	20	CKAD	
O=C(C=C1CCC1)Nc1cc(-c2ccccc2)ccc1Cl	791974018	LISVHRSFLARRIX-UHFFFAOYSA-N	297.785	5.056	0	20	CKAD	
Cc1sc(-c2ccsc2)nc1-c1ccc(F)cc1F	14103655	ZZIVATOCSWTYRG-UHFFFAOYSA-N	293.363	5.125	0	20	CKAD	
CSc1ccccc1NCc1ccccc1C(F)(F)F	35040651	IHAOTLXAZWXQAA-UHFFFAOYSA-N	297.345	5.039	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccccc2Cl)c1	37219123	VNANSCPSNRCGCP-ZIAGYGMSSA-N	273.807	5.060	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)NCc1cccc2ccccc12	163411716	YXXJCBHLNZCTEN-ZDUSSCGKSA-N	295.348	5.051	0	20	CKAD	
Cc1cc(CN[C@H](CC(C)(C)C)c2ccccc2)cs1	381191093	IRMLORMTOPYASU-QGZVFWFLSA-N	287.472	5.324	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](CC(F)F)c2ccccc2)s1	421877353	LQRFGVYHYLCIAE-GXTWGEPZSA-N	295.398	5.104	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](CC(F)F)c2ccccc2)c1	421886675	VGUFRQXXEGIVSV-YOEHRIQHSA-N	289.369	5.042	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2ccc(C(C)C)cc2)cs1	437652428	FTQKKOPHPUXMIK-LBPRGKRZSA-N	275.417	5.031	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)oc1C)c1ccc(Cl)s1	481955165	FCZAWCJNYDAOFJ-GXFFZTMASA-N	297.851	5.413	0	20	CKAD	
C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccc(Cl)cn1	494491100	ZRYOWRTYHIAXMZ-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
Cc1cc(CSCc2ncc(C(C)(C)C)o2)c(C)s1	516836540	ZAQBPCWEQUNEAV-UHFFFAOYSA-N	295.473	5.084	0	20	CKAD	
C[C@@H](N[C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccoc1	531682321	HGVCKZRDMXYTRO-DYVFJYSZSA-N	289.394	5.247	0	20	CKAD	
C[C@H](Nc1ccc(CCC(F)(F)F)cc1)c1ccccc1	537514079	XZOXQZIHTMBONQ-ZDUSSCGKSA-N	293.332	5.355	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@@H](CC(C)C)c1ccccc1C	538986799	GPOFLIFGDJMYED-PXNSSMCTSA-N	296.458	5.136	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccccc2OC(C)C)c1	386096264	NYRYANYYLRWBCQ-SJORKVTESA-N	297.442	5.194	0	20	CKAD	
CC(C)c1ccc([C@H](C)N[C@H](c2cccnc2)C2CC2)cc1	539051697	ARGOSVGNQWPOGI-YWZLYKJASA-N	294.442	5.007	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2c(F)cccc2Cl)o1	540187023	DSFSMEZFSAZNFN-WDEREUQCSA-N	295.785	5.046	0	20	CKAD	
Cc1ccoc1CN[C@@H](C)c1ccc(-c2cccs2)cc1	561409201	XXNMRDKCEZHZRZ-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
Cc1cccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)c1	615172874	GYTYATNJBCIYEB-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
Cc1cc(Cl)ccc1CNc1ccccc1C(C)(F)F	864030092	GZQKHIFKAYMDKQ-UHFFFAOYSA-N	295.760	5.372	0	20	CKAD	
CCc1ccc(CN[C@@H](CC)c2cccc(Cl)c2)s1	51717476	XMRJWQWZACMYJK-INIZCTEOSA-N	293.863	5.205	0	20	CKAD	
Cc1csc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)n1	80275187	IDACDKPQCZUUTF-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CC(C)(C)[C@H](NCc1cccc2[nH]ccc12)c1ccccc1	236718276	GUYDJSJJZSIKEU-LJQANCHMSA-N	292.426	5.045	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(C(C)C)cc2)cs1	381858271	ZWKHYCMAUQTAHE-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
CSc1ccccc1[C@@H](C)NCc1ccc(C2CC2)cc1	442862710	VZBJPOBUTZMJAE-CQSZACIVSA-N	297.467	5.137	0	20	CKAD	
Cc1ccc(C)c(NC(=O)[C@@H](CC(C)C)c2ccccc2)c1	525334482	YXTWJVKGMJKIRS-SFHVURJKSA-N	295.426	5.072	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cscn1)c1cc(C)sc1C	624011841	JVCUQXCPAKISNV-FZMZJTMJSA-N	294.489	5.013	0	20	CKAD	
CC(C)CCCCCC(=O)Nc1c(F)cccc1Cl	753473404	WDUJNZQXBLRZHF-UHFFFAOYSA-N	285.790	5.024	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1	35019057	IVONNIQJBMREKA-CYBMUJFWSA-N	265.331	5.152	0	20	CKAD	
CC[C@@H](NCc1csc2ccccc12)c1ccccc1	50198338	COPUEADNTLENSZ-QGZVFWFLSA-N	281.424	5.142	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)c2ccco2)cc1	122132866	BCMRZGCYCQFICC-OXJNMPFZSA-N	291.394	5.028	0	20	CKAD	
FC(F)c1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1	188411612	HYYKQYGYLZFEPR-CMPLNLGQSA-N	293.279	5.157	0	20	CKAD	
CCC[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccsc1	443092542	JSBNLTDPJJAKMF-IRXDYDNUSA-N	289.419	5.006	0	20	CKAD	
C[C@H](Sc1ccc(Cl)c(Cl)c1)c1cccnc1	463209036	HVPXMXMUBWBUSV-VIFPVBQESA-N	284.211	5.242	0	20	CKAD	
Cc1c(COC(C)(C)C)cccc1N[C@@H](C)c1ccco1	540752642	AZRCYLPBFJGPMC-AWEZNQCLSA-N	287.403	5.076	0	20	CKAD	
CSc1cc(C)ccc1N[C@H](C)c1ccccc1F	630062060	OASSBCAFQJLAOF-GFCCVEGCSA-N	275.392	5.029	0	20	CKAD	
CC(C)Sc1ccc([C@H](C)N[C@@H]2CCC(F)(F)C2)cc1	679071088	CPHNHWUJMVWTRA-GXTWGEPZSA-N	299.430	5.026	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccns1)c1cc(C)sc1C	858576649	LGOGULXHRPGUQY-FZMZJTMJSA-N	294.489	5.013	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccccc1F)c1ccccc1	37062492	PLXIFDUJEGEKSP-KBXCAEBGSA-N	271.379	5.018	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)c(F)c2)s1	212714916	HZCPCRXVQVCJEU-MNOVXSKESA-N	297.826	5.261	0	20	CKAD	
CCCC(=O)Nc1ccc(SC2CCCCC2)cc1C	303067204	WDYDPGHIFHSVIV-UHFFFAOYSA-N	291.460	5.158	0	20	CKAD	
CCC[C@@H](NCc1cc2cc(F)ccc2o1)c1ccccc1	360845563	NGGGRDQNVFQOCH-GOSISDBHSA-N	297.373	5.203	0	20	CKAD	
CCc1c([C@@H](C)NCc2cc(C)cs2)oc2ccccc12	379269564	LKKHGFFIIBQAMY-CYBMUJFWSA-N	299.439	5.216	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cccs1)c1ccsc1	382122991	ZFSZBHAXWGYBEQ-CHWSQXEVSA-N	265.447	5.002	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H]2CCc3sc(Cl)cc32)cs1	453243536	CPLXOXXSZLXKIK-JOYOIKCWSA-N	297.876	5.110	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2cccc(F)c2o1)c1ccsc1	474108103	VFUQVBYLEBANEJ-GHMZBOCLSA-N	289.375	5.045	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)cc1C	513098346	FMUYZYWRTRXTEE-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1ccc2c(c1)COC2	538620022	YAKNJZURVAQZSW-CQSZACIVSA-N	289.378	5.043	0	20	CKAD	
FC(F)(F)CCCCSCc1ccc2ncccc2c1	546727147	GHJCLHVEQGGABL-UHFFFAOYSA-N	299.361	5.201	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2ccc(C(F)F)nc2)c1	657941167	BSDZGMXCGWQJGR-LBPRGKRZSA-N	290.357	5.316	0	20	CKAD	
C[C@@H](Sc1ccnc(-c2ccccc2)n1)c1cccs1	737424663	LJNZTRYJBWIOIR-GFCCVEGCSA-N	298.436	5.058	0	20	CKAD	
C[C@@H](NCc1ccco1)c1ccccc1SC(C)(C)C	798179481	BVIPFOVHVRSZPC-CYBMUJFWSA-N	289.444	5.021	0	20	CKAD	
CC(C)c1ccc(NCc2ccc(OC(F)F)cc2)cc1	21787069	XZIPPDWNCLLOBJ-UHFFFAOYSA-N	291.341	5.024	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cc(C)sc2C)c1	37315044	IKHCNAPDMVQKDM-ZIAGYGMSSA-N	273.445	5.085	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cc(C)sc2C)c1	37315045	IKHCNAPDMVQKDM-UONOGXRCSA-N	273.445	5.085	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sccc21)c1ccc(Cl)s1	61326723	FCJSJRBXAYPVJD-GXSJLCMTSA-N	297.876	5.191	0	20	CKAD	
CC(C)c1ccccc1NC(=O)C[C@H](C)c1ccc(F)cc1	96651815	NVSBPQFBNCRKPC-AWEZNQCLSA-N	299.389	5.081	0	20	CKAD	
Cc1cccc(F)c1NC(=O)c1ccc(C2CCCC2)cc1	464306618	WEYCANLXXWZZFB-UHFFFAOYSA-N	297.373	5.044	0	20	CKAD	
c1cncc([C@@H](Nc2cccc3ccsc23)C2CCC2)c1	481996799	CIVSEUGAYCPXEC-KRWDZBQOSA-N	294.423	5.250	0	20	CKAD	
CSc1ccc(CSc2ccnc3ccccc23)cc1	597515234	JXAIBWZEVWHEEA-UHFFFAOYSA-N	297.448	5.249	0	20	CKAD	
CCC[C@H](C)NC(=O)Nc1c(C(C)C)cccc1C(C)C	642390601	XQJKMGFLUVCWRE-AWEZNQCLSA-N	290.451	5.244	0	20	CKAD	
C[C@@H](NCc1ccc(CF)cc1)c1cc2ccccc2s1	754752060	HXOGNKPCWOWVAS-CYBMUJFWSA-N	299.414	5.222	0	20	CKAD	
CCCC(CCC)[S@@](=O)[C@@H]1CCc2cc(Cl)ccc21	794817619	KDLQQPMQICOCBH-VQIMIIECSA-N	298.879	5.045	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1cscc1C(F)F	887608649	KWMKOJDJZVSSST-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
CCC/C=C\C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1	920744049	KPASILYJBKBGOJ-WASHYIJTSA-N	299.414	5.089	0	20	CKAD	
Cc1ccc([C@H](N[C@@H](C)c2cc(C)oc2C)C2CC2)cc1	44729865	XXIXUZHRCLSDHJ-LIRRHRJNSA-N	283.415	5.007	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ncc(C(C)(C)C)o1	177408190	QAZKDYJHJCLZBV-CYBMUJFWSA-N	294.398	5.298	0	20	CKAD	
FC(F)=C(F)CCSC1=Nc2ccccc2CS1	221842337	HMLNHMJIPQYNIH-UHFFFAOYSA-N	289.347	5.122	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CC1)c1csc(Cl)c1	230407640	OHQZJMOFJHWKTL-MEDUHNTESA-N	291.847	5.203	0	20	CKAD	
Cc1cccc(CNc2ccc(CC(F)(F)F)cc2)c1C	462728940	XRNGVPASKRWTOF-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CC[C@@H](N[C@H]1CCCc2occc21)c1ccc(Cl)s1	480766222	CERHNRZDDVYMMB-NEPJUHHUSA-N	295.835	5.113	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2ccc(C)c(-c3ncco3)c2)c1	537535611	GOUDFOQBINIXJG-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
CC(C)c1ccc([C@H](C)N[C@@H](c2cccnc2)C2CC2)cc1	539051695	ARGOSVGNQWPOGI-MGPUTAFESA-N	294.442	5.007	0	20	CKAD	
C[C@H]1C[C@@H](N[C@@H](C)c2cc3ccccc3o2)c2ccccc21	569884051	KJXNSXZRXPKABF-SUNYJGFJSA-N	291.394	5.332	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2cc3ccccc3s2)cc1F	596691106	ZURCORJBUQFENY-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
Clc1ccccc1SCc1cccc2cccnc12	675418538	DZYBDENDKFWIRV-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
CC(C)CC[C@H](NCc1ccoc1)c1ccc(Cl)cc1	727467394	VXDOHHPPJBWSGN-KRWDZBQOSA-N	291.822	5.200	0	20	CKAD	
COc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1Cl	20556797	JQISBMPZIYMLBN-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
CCCCc1ccc([C@H](C)N[C@H](CC)c2ccncc2)cc1	483718258	ALBJROYFGIZYIU-OXJNMPFZSA-N	296.458	5.226	0	20	CKAD	
Cc1ccc([C@H](C)NC2(c3cccc(Cl)c3)CC2)s1	537448813	CZCKFUZOAJUBBV-LBPRGKRZSA-N	291.847	5.050	0	20	CKAD	
O=C1/C(=C\c2ccsc2)CCC/C1=C/c1ccsc1	67774	BVEGPXVJSTZUMV-SFGFDRCGSA-N	286.421	5.030	0	20	CKAD	
CC[C@@H](NCc1c(C)oc2ccccc12)c1cccs1	123285615	OZZVKKAJUMSQDF-OAHLLOKOSA-N	285.412	5.044	0	20	CKAD	
CCc1ccc(N[C@H](C)c2csc(C(C)C)n2)cc1	469795989	HQNRQFNIWIEOFA-GFCCVEGCSA-N	274.433	5.002	0	20	CKAD	
CC(C)c1nc(CNc2ccc(C3CCC3)cc2)cs1	487215914	NFZNNLFUWIOJMM-UHFFFAOYSA-N	286.444	5.146	0	20	CKAD	
Clc1cc(CSc2ccccc2)c2ncccc2c1	505845185	KSRCOSXGITYDJB-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
Cc1nnc([C@H](C)S[C@@H](C)c2cccc3ccccc23)o1	532346315	CWJQHVKEOXNIJL-RYUDHWBXSA-N	298.411	5.087	0	20	CKAD	
Cc1ccccc1CNc1ccc(COC2CCCC2)cc1	606896700	NFMXJHLXMAMWQP-UHFFFAOYSA-N	295.426	5.066	0	20	CKAD	
Cc1oc(-c2cccs2)nc1CSc1ccccc1	666471879	RHUWODSPCJXSKL-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CC/C=C(\C)C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1	921164091	JGQKXFOLXHABDX-HNRFISLBSA-N	299.414	5.089	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cccs1)c1cccs1	49529253	DHYKDHMAFXJSKC-VXGBXAGGSA-N	265.447	5.002	0	20	CKAD	
Cc1ccc(NC(=O)C[C@H](c2ccccc2)C(C)C)c(C)c1	96650498	RKBLFZMKMOLUHH-SFHVURJKSA-N	295.426	5.072	0	20	CKAD	
C[C@@H](NCCC(C)(F)F)c1ccc(-c2ccccc2)cc1	379260932	MQOJCTFYGISXJB-CQSZACIVSA-N	289.369	5.050	0	20	CKAD	
Cc1csc(CN[C@@H](c2cccs2)C2CCCC2)c1	379299153	YPCFYIUENDHESL-MRXNPFEDSA-N	291.485	5.139	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	451293998	IOWKOPHNXURIFX-SOLBZPMBSA-N	299.458	5.137	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H]1CC[C@@H](c2ccccc2)C1	480212086	ZLVCZTCRTZHQQX-BMFZPTHFSA-N	299.380	5.033	0	20	CKAD	
CC[C@@H](Nc1ccc2[nH]c(C)cc2c1)c1ccccc1	500288797	JLZVYBJMSCTGEO-QGZVFWFLSA-N	264.372	5.040	0	20	CKAD	
C[C@H](Nc1cccc(CCC(F)(F)F)c1)c1ccccc1	531486460	VPIUNZOTCUBQNS-ZDUSSCGKSA-N	293.332	5.355	0	20	CKAD	
O=C(CC1CCCCC1)Nc1ccccc1-c1cccs1	669757274	QCDNBXOKFMEQEO-UHFFFAOYSA-N	299.439	5.324	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)nc1)c1ccc(F)c(F)c1	729856256	TZAULIJFBBPLMV-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
CC[C@H](C)Oc1ccc(N[C@H](C)c2ccc(C)nc2C)cc1	776867956	FOKMCCUCQUDRET-GOEBONIOSA-N	298.430	5.049	0	20	CKAD	
CCCCC[C@@H](CC)C(=O)Nc1cc2[nH]ccc2cc1C	781549966	WOAVPOGWLGHBMY-CQSZACIVSA-N	286.419	5.021	0	20	CKAD	
CC[C@H](C)c1cccc(NC(=S)Nc2ccsc2)c1	863204978	NWUSLQIRWBQBEP-NSHDSACASA-N	290.457	5.071	0	20	CKAD	
C[C@H](SCc1coc(-c2ccccc2)n1)c1ccccc1	303004572	ZEVJBIJXCMUERN-AWEZNQCLSA-N	295.407	5.336	0	20	CKAD	
FC(F)c1ccc(CN2[C@H]3CC[C@H]2c2ccccc23)cc1	461396093	KOOLTSDRCHPNPE-IRXDYDNUSA-N	285.337	5.016	0	20	CKAD	
CCCN(CC)C(=O)Nc1c(C(C)C)cccc1C(C)C	519905714	DVFZJWYNXPJSCK-UHFFFAOYSA-N	290.451	5.197	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)c2ccc(Cl)cc2)s1	525631883	LXADZTUZXLPIRO-SNVBAGLBSA-N	297.876	5.408	0	20	CKAD	
CC(C)C[C@@H](N[C@@H]1CCc2ccccc21)c1cccs1	540190860	JHLRLSRHIWMDHM-IAGOWNOFSA-N	285.456	5.112	0	20	CKAD	
CCCC(CCC)[S@](=O)[C@@H]1CCc2cc(Cl)ccc21	794817614	KDLQQPMQICOCBH-APWZRJJASA-N	298.879	5.045	0	20	CKAD	
Cc1ccsc1CNCc1cc(-c2ccccc2)cs1	108096864	GURGCTJWCWAVEE-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCc2sccc21)c1ccccc1F	127308291	UHEZYRUUKSUDGL-HZPDHXFCSA-N	289.419	5.006	0	20	CKAD	
CSc1ccc([C@H](C)Nc2cccc3ccncc23)cc1	131445209	OCBXWNVIGXMYAA-ZDUSSCGKSA-N	294.423	5.130	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H]2CCSc3ccccc32)c1	183104233	BHMLYAKHZLLALT-DYVFJYSZSA-N	299.439	5.043	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)s1	482442441	YZZYLURKTQAWCB-KSSFIOAISA-N	285.456	5.249	0	20	CKAD	
CC[C@H](CC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1	523102491	MEPOVBYZEKJIJS-QGZVFWFLSA-N	295.426	5.134	0	20	CKAD	
Cc1ccc(N[C@H](C)c2nc(-c3ccccc3)cs2)cc1	540707895	FPMPCKVIRFLRMB-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
C[C@@H](SCc1cccnc1Cl)c1ccccc1Cl	727055170	QLNGPXPLGRCPFL-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2ccc(F)cc2C)c1	815612180	GGFLREGXZQQCJM-KGLIPLIRSA-N	287.378	5.015	0	20	CKAD	
FC(F)(F)c1ccc(/C=C\c2nc3ccccc3o2)cc1	33477183	AXWRMBRWURZZDD-YFHOEESVSA-N	289.256	5.017	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2cccs2)C2CC2)c(C)s1	42330868	XUJSUVSBVNQCIN-MEDUHNTESA-N	291.485	5.228	0	20	CKAD	
C[C@H]1C[C@@H](N[C@H](C)c2ccsc2)c2ccsc2S1	217000225	YVHJIYLQGJSGJU-OPQQBVKSSA-N	295.498	5.086	0	20	CKAD	
O=C(CC1=CCCCC1)Nc1ccccc1-c1ccccc1	303267697	FDVSWVRKOGERBC-UHFFFAOYSA-N	291.394	5.183	0	20	CKAD	
C[C@@H](NC1(c2ccccc2)CCC1)c1csc(Cl)c1	468879018	HSJUQEKJVVWSKK-GFCCVEGCSA-N	291.847	5.132	0	20	CKAD	
CC(C)C[C@H](NCCCCOC(C)(C)C)c1cccs1	475325258	KTUVLNOQFJYGDF-HNNXBMFYSA-N	297.508	5.020	0	20	CKAD	
FC(F)c1cccc(CSc2nc3ccccc3o2)c1	475954142	FBTQYJNZINNLDJ-UHFFFAOYSA-N	291.322	5.058	0	20	CKAD	
CC(C)C[C@H](C)CC(=O)Nc1cccc(Cl)c1Cl	524243344	CRUPZTKAFZBSRP-JTQLQIEISA-N	288.218	5.004	0	20	CKAD	
Cc1cscc1N[C@@H](C)c1cccc(-c2ccncc2)c1	537449047	VZXUMFQNSFQMIC-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccc3c(c2)COC3)cc1	539610926	OOSINUIQRJPZKO-CQSZACIVSA-N	281.399	5.013	0	20	CKAD	
Clc1ccsc1CN[C@@H](c1ccccc1)C1CCC1	549041854	WLSACSNNNQKQLW-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
CC[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ccccc1	608376219	OLXYFXPIFDPFAQ-WOJBJXKFSA-N	279.427	5.269	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CC1)c1cccc(Cl)c1	37075141	RLBPUOBZLNRNQY-UGSOOPFHSA-N	285.818	5.142	0	20	CKAD	
Cc1ccc(-c2ccc(CNCc3cccs3)s2)cc1	63507900	YHZZYDVGQIXZNW-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCCCC1)c1ccccn1	120325813	URTAGZLCFLRHHY-OXQOHEQNSA-N	294.442	5.054	0	20	CKAD	
C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1cccs1	179600273	CRFMRPGYHSARRD-SNVBAGLBSA-N	285.334	5.026	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1cccc(Cl)c1F	477835965	KIOUYTOKFXQFBV-VIFPVBQESA-N	299.723	5.590	0	20	CKAD	
C[C@@H](Nc1ccc2scnc2c1)c1ccc(Cl)cc1	495726687	SRJVAPASOANUSM-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@H]2CCc3ccccc32)cc1	531705038	MWMOOQOEANFZCI-LIRRHRJNSA-N	297.467	5.137	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1cccc(C2CC2)c1	556054300	FWIWRORQSPOKHW-ORAYPTAESA-N	297.467	5.427	0	20	CKAD	
CC(C)c1nccc(S[C@@H](C)c2ccc(Cl)cc2)n1	599610947	HOKGUABZKSCGFJ-NSHDSACASA-N	292.835	5.107	0	20	CKAD	
Cc1ccc(Cl)c(N[C@@H](C)c2ccc(C(F)F)nc2)c1	657964786	OLRAZVKAPXHCSC-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
CC(C)C[C@@H](Nc1ccc(C2CC2)cc1)c1ccccn1	679089134	GQKCRZUUKUDNHG-LJQANCHMSA-N	280.415	5.158	0	20	CKAD	
CSCCCCCCC(=O)Nc1ccccc1C(C)C	858281727	XDCWOSJYONHTJF-UHFFFAOYSA-N	293.476	5.062	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1	19991729	GUQOHVPOHGBFSD-KBPBESRZSA-N	273.807	5.060	0	20	CKAD	
CC[C@H](Nc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1	21809505	WFQRABHKMHHLPW-INIZCTEOSA-N	284.790	5.385	0	20	CKAD	
CC[C@H](N[C@@H]1CCSc2ccccc21)c1cccs1	37127994	PUWHECYDLGRNSV-UONOGXRCSA-N	289.469	5.026	0	20	CKAD	
CC[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1	50198382	NHVDMRAMTDDXSN-HNNXBMFYSA-N	294.225	5.234	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(C)cc1	131334863	AOXXRLOXTQTGOZ-QGZVFWFLSA-N	289.369	5.174	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc2ccccc2s1)c1ccncc1	188066707	JQIBKEGURILOBM-CZUORRHYSA-N	296.439	5.098	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1ccsc1)c1ccc(C)cc1	382129472	OIYAVVOXGIHZBX-IRXDYDNUSA-N	273.445	5.249	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cccs1)c1cccc(C)c1	387977250	FHFHYTLLJIECRD-HZPDHXFCSA-N	273.445	5.249	0	20	CKAD	
CC[C@H](C)c1ccc(-c2csc([C@@H]3CCCO3)n2)cc1	441368911	CJASLRKHKFJZQC-LRDDRELGSA-N	287.428	5.175	0	20	CKAD	
CCc1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1C	502385723	DWQSDDUFSXFRQC-HNNXBMFYSA-N	297.446	5.042	0	20	CKAD	
CCc1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1C	539853656	AGIQLBUBCHWJLX-ZDUSSCGKSA-N	286.419	5.016	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1cc2cnccc2o1	658018230	PJQMIJYCDAXCJG-ZDUSSCGKSA-N	292.382	5.268	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3[nH]2)c(C)s1	775634225	PSQKTSISOWHFPZ-CHWSQXEVSA-N	298.455	5.258	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1coc2ccccc12)c1ccccn1	924946617	ONDGIOYGIKFCQF-RDTXWAMCSA-N	294.398	5.020	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)o1	19917750	KZLOWRKEHQEDGR-MNOVXSKESA-N	298.213	5.307	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(SC(F)F)cc2)o1	36919577	IGTOCMXTIWKKKM-JTQLQIEISA-N	283.343	5.076	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)s1	49158813	OSWZCPZYENWNCC-QWRGUYRKSA-N	297.826	5.261	0	20	CKAD	
CC[C@@H](NCCC(C)(F)F)c1ccc(Cl)cc1Cl	379244365	ZJPYEIBDQHYVJT-GFCCVEGCSA-N	296.188	5.079	0	20	CKAD	
CCCCCC(=O)Nc1c(CCC)cccc1C(C)C	472682579	DLLUJECFGGBQGI-UHFFFAOYSA-N	275.436	5.281	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccccn1	500644515	BOWYRMFSQYPFMS-OXQOHEQNSA-N	296.458	5.397	0	20	CKAD	
CCc1ccc([C@H](N[C@H](C)c2cc(C)ccn2)C(C)C)cc1	514104587	KYIIBFOOUHBVLP-OXQOHEQNSA-N	296.458	5.000	0	20	CKAD	
CC[C@@H](NC(C)(C)c1cccs1)c1ccc(F)cc1F	543504593	XEPJPKYGVMMBOU-CQSZACIVSA-N	295.398	5.002	0	20	CKAD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1ccncc1F	551296438	JZXONLBPTGQPEU-LBPRGKRZSA-N	298.386	5.122	0	20	CKAD	
CSc1ccc(C)c(N[C@H](C)c2ccccc2F)c1	630058471	JXMXNHZOZLCIAM-GFCCVEGCSA-N	275.392	5.029	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1c1ccsc1	741901375	FYACRHXHXZCOQN-ZBFHGGJFSA-N	293.476	5.018	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1cnccc1C)c1ccccc1	772445657	BYRQUCUDDOOOMK-YLJYHZDGSA-N	296.458	5.362	0	20	CKAD	
Cc1c([C@H](C)N[C@@H](C)c2cccc(F)c2)oc2ccccc12	195615941	BZJGUTBACSKZOC-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2ccccc21)c1csc(Cl)c1	230406842	YDSPCNCBBBXDNO-XHDPSFHLSA-N	291.847	5.130	0	20	CKAD	
CC[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1cccs1	311889247	ONHWXPUOQYDLEK-GWCFXTLKSA-N	297.826	5.343	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccs1)c1ccc(C2CC2)cc1	417355900	OOXJSXDXXANUFK-STQMWFEESA-N	271.429	5.037	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)(F)F)s1)c1ccccc1	428862307	TYSQLPNDMUOFOF-ZDUSSCGKSA-N	299.361	5.008	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1ccc(-c2ccccc2)o1	480888580	IGRJEUCUBSLGCL-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccccc2C)cc1-c1ncco1	537537896	VFHVUTOYHGXYAE-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H]1CCc2c(Cl)cccc21	539044395	PZYJNKUTTVGVGH-NHYWBVRUSA-N	291.847	5.048	0	20	CKAD	
C[C@H](N[C@H](C)c1ccoc1)c1ccc(Cl)c2ccccc12	545200852	SPKJNZKPGBLKPY-OLZOCXBDSA-N	299.801	5.498	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21	572201834	VDENAPDRYWCLFB-QWQRMKEZSA-N	297.467	5.308	0	20	CKAD	
CCN(Cc1ccoc1)[C@H](C)c1ccc2ccccc2c1	588236651	RYIPBIIVJXNWKP-OAHLLOKOSA-N	279.383	5.016	0	20	CKAD	
CCC/C(C)=C/C(=O)N(CC1CCC1)[C@H](C)c1ccccc1	740807228	JUXJTTUVUUFHPR-FYPAKXHLSA-N	299.458	5.123	0	20	CKAD	
C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1	35014358	YECZANTVFVASAC-UGSOOPFHSA-N	285.818	5.142	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)s1	37075171	NOMPXUXFPPXTSH-MEDUHNTESA-N	291.847	5.203	0	20	CKAD	
C[C@H](Sc1ccncc1)c1ccc2ccccc2c1	448101751	FVNGBCSKSAPRRE-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1cc2cccc(F)c2o1	474098782	OGLAYUDCIGBAAY-WDEREUQCSA-N	289.375	5.045	0	20	CKAD	
CC[C@H](c1ccccc1)[S@@](=O)c1ccc2ccccc2c1	475048583	IDJSFYLPCSUGSD-CTNGQTDRSA-N	294.419	5.099	0	20	CKAD	
Cc1nc([C@H](C)N[C@H](C)c2cccc3ccccc23)cs1	36915346	IYHIFTFVVLRKEX-OLZOCXBDSA-N	296.439	5.017	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1oc2ccccc2c1C)c1cccs1	49529429	YLIGSERLVUCPQO-DZGCQCFKSA-N	299.439	5.605	0	20	CKAD	
CCCCc1noc([C@H](C)S[C@@H](C)c2cccs2)n1	737405930	LQEOKLUKEOTIFD-QWRGUYRKSA-N	296.461	5.029	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccsc1)c1ccccc1	37128506	MUDVDAPPXNGIMZ-MRXNPFEDSA-N	273.445	5.015	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C1[C@@H]2CCCC[C@@H]12	191534926	JLVJMUTWBMCILH-IAGOWNOFSA-N	299.458	5.137	0	20	CKAD	
CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1csc(Cl)c1	468789041	BUCICKIIIVOMTQ-WPRPVWTQSA-N	299.789	5.029	0	20	CKAD	
Cc1cc(NCc2ncc(C(C)C)s2)ccc1C1CC1	479416289	IHWSYZANQLLQHR-UHFFFAOYSA-N	286.444	5.064	0	20	CKAD	
CCCCC(=O)Nc1ccc(S[C@@H](C)CC)cc1C	499725021	KVYFCPWJLSBLRS-ZDUSSCGKSA-N	279.449	5.014	0	20	CKAD	
CC(C)n1ccc(CS[C@@H](C)c2cccc(Cl)c2)n1	523940963	IBUIMGWSHKCSER-LBPRGKRZSA-N	294.851	5.112	0	20	CKAD	
C[C@@H]1C[C@H]1c1ccc(CN[C@H](c2ccccc2)C2CCC2)o1	591697648	FAQIIDUKGCAXNG-LXGCGDOSSA-N	295.426	5.034	0	20	CKAD	
CC[C@H](NCc1c(C)cccc1F)c1ccc(Cl)s1	766212769	KTTQSTZRBLOPJB-ZDUSSCGKSA-N	297.826	5.090	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2csc3ccccc23)oc1C	800478145	XUZPPKLMZUXVNX-CHWSQXEVSA-N	299.439	5.523	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccccc1	20563415	LODGELSSKSCRKJ-KBXCAEBGSA-N	271.379	5.018	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@H](C)c1cc2ccccc2s1	271612902	XEEQOUZKPNTSKG-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
COc1ccc(N[C@H](C)c2cccc3ccccc23)cc1F	386608530	YULSAFZTYJMREW-CYBMUJFWSA-N	295.357	5.161	0	20	CKAD	
CC[C@@H](N[C@H](c1cccs1)C1CC1)c1ccsc1	453074198	OJCVWYVARGBSIJ-HIFRSBDPSA-N	277.458	5.002	0	20	CKAD	
FC(F)c1ccc(CN2CCC[C@H]2c2cccs2)cc1	461382725	CTPAVGFSJOVFNP-AWEZNQCLSA-N	293.382	5.023	0	20	CKAD	
CCCC(CCC)SCc1csc([C@H](C)OC)n1	476462591	SPIDDHRUQCJYQM-NSHDSACASA-N	287.494	5.053	0	20	CKAD	
CCCCCN(C(=O)[C@H](C)c1ccsc1)[C@@H](C)CCC	606183605	HNHLLPMIOMYXLK-LSDHHAIUSA-N	295.492	5.059	0	20	CKAD	
C[C@@H](SCc1cccc(Cl)n1)c1ccccc1Cl	743248976	ZKAHERYJFDBXAY-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CCC(=CC(=O)Nc1ccccc1-c1cccs1)CC	759131095	PHVURHDAODAUQA-UHFFFAOYSA-N	285.412	5.100	0	20	CKAD	
C/C=C(/CC)C(=O)N(Cc1cccs1)C(C)(C)CCC	801752114	NENYFPLRAPLVBE-AUWJEWJLSA-N	293.476	5.012	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1F	36951954	MEBDJZYWACLPKR-GFCCVEGCSA-N	283.321	5.291	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccc(Cl)cc2)C2CC2)o1	37280673	QEYBGBZQHVZXMY-PXAZEXFGSA-N	289.806	5.043	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1cccs1	130436846	NODLRZPDOVJJQB-GOEBONIOSA-N	273.445	5.167	0	20	CKAD	
Cc1nc(CS[C@H](C)c2cccc(Cl)c2)cs1	303287074	NLHJPHDMPKOCCO-SECBINFHSA-N	283.849	5.099	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccc1Cl)c1ccsc1	382190885	YYCSMZLOFKMACS-IAQYHMDHSA-N	279.836	5.203	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@H](C)c2ccc(F)cn2)cc1	448022325	NJOWWJKXQOOQRW-CYBMUJFWSA-N	286.394	5.081	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H](C)C1	540648779	DNMGZTLLWFMWMJ-HUUCEWRRSA-N	287.447	5.308	0	20	CKAD	
C[C@@H](Nc1cccc2cc[nH]c12)c1cccc(Cl)c1F	547806688	VNYVJEMWIUBAJL-SNVBAGLBSA-N	288.753	5.134	0	20	CKAD	
CCOc1ccccc1N[C@@H](C)c1ccc(F)c(Cl)c1	20562988	MBLZFYROACNATJ-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
C[C@H](NCc1cccc(Cl)c1)c1cccc2ccccc12	21500104	WTZVQBBOXDSDHA-AWEZNQCLSA-N	295.813	5.344	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccsc1	50342280	DLDPVDSGIWUBBS-QWRGUYRKSA-N	299.361	5.179	0	20	CKAD	
C[C@H](Sc1nccs1)c1ccc(Cl)c(Cl)c1	64669876	FAMKPQRBSXHYKY-ZETCQYMHSA-N	290.240	5.303	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1cncs1)c1ccccc1	164051362	OUCVVABRJPTABW-ZBFHGGJFSA-N	288.460	5.115	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)cs1	381681626	DFDFLNBUDCOZHL-CXAGYDPISA-N	291.435	5.244	0	20	CKAD	
CC[C@@H](C)c1ccc(-c2csc([C@H]3CCCO3)n2)cc1	441368912	CJASLRKHKFJZQC-MLGOLLRUSA-N	287.428	5.175	0	20	CKAD	
CC[C@H](N[C@@H](c1cccs1)C1CC1)c1cccc(F)c1	446748307	NKYYOIARBBQOHZ-DOTOQJQBSA-N	289.419	5.079	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)oc1C	502426358	FVJCXDWAQPWLOF-STQMWFEESA-N	283.371	5.054	0	20	CKAD	
C[C@H](CC(=O)Nc1cccc(C(F)F)c1)C1CCCCC1	505983806	DIHMHHCKCSJKMF-GFCCVEGCSA-N	295.373	5.169	0	20	CKAD	
CCCCC[C@H](C)CC(=O)Nc1c(F)cccc1Cl	753473413	WKEFGDWKHSBRAN-NSHDSACASA-N	285.790	5.024	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2ccc(OC(F)F)cc2)c1C	21818492	YWLWVKCGSOHWHM-ZDUSSCGKSA-N	291.341	5.078	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1	37508198	TUSAOBLLHKCGRR-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@H]2CCSc3ccccc32)c1	130326032	RRIIJFMSGXRBPC-YJBOKZPZSA-N	297.467	5.191	0	20	CKAD	
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@@]21C	149378453	XBGWXALJZVHJOM-ZOVJDJALSA-N	280.496	5.272	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](CC(F)F)c2ccccc2)cc1	421891168	YMPJHFKSMFWMGP-PBHICJAKSA-N	289.369	5.042	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@H](N[C@@H](C)c1ccsc1)CC2	427873634	OJOVNIBFNPZAPS-SCLBCKFNSA-N	285.456	5.210	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1ccsc1)CC2	427873635	OJOVNIBFNPZAPS-UGSOOPFHSA-N	285.456	5.210	0	20	CKAD	
CCC[C@@H](NC1(c2cccc(F)c2)CC1)c1ccsc1	443077267	JEMPXYYOHSCOMW-MRXNPFEDSA-N	289.419	5.007	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2ccc(C3CCC3)cc2)s1	494474602	KPPQLQSGIHBLQW-GFCCVEGCSA-N	286.444	5.201	0	20	CKAD	
CCCCS[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC	514067790	VDJKMZQAUFJABK-KBPBESRZSA-N	293.476	5.060	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](C)c2nccc3ccccc23)cc1	580921601	SHYYDMXTBOOWAV-BYPUDFOVSA-N	288.394	5.441	0	20	CKAD	
C(=C\c1nccc2ccccc12)\c1nc2ccccc2s1	607059416	ZVBMFQBJJWGANY-KTKRTIGZSA-N	288.375	5.015	0	20	CKAD	
Cc1cc(N[C@@H](C)c2ccccc2F)ccc1OC(C)C	743480069	NQAVPMQLWFIOLY-AWEZNQCLSA-N	287.378	5.094	0	20	CKAD	
C[C@H](Nc1csc2ccccc12)c1cccnc1Cl	779184884	LYWWBIDBTSNPSV-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
Cl/C(=C/c1ccccc1Cl)c1nc2ccccc2o1	913617864	WYQBUTKCOCVQRS-FMIVXFBMSA-N	290.149	5.218	0	20	CKAD	
COc1ccc([C@H](C)Nc2ccc3ccccc3c2)cc1	36952038	ONCYWBSUZMXDDJ-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2nc3ccccc3s2)cc1	37769974	ZAHHREQIVYISEC-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)s1	49158808	OSWZCPZYENWNCC-WDEREUQCSA-N	297.826	5.261	0	20	CKAD	
CC(C)c1ccc([C@@H](NCc2ccsc2)C(C)C)cc1	61030615	SZZJQVSFWDFYOF-SFHVURJKSA-N	287.472	5.358	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc2ccccc12)c1nccs1	80264293	VUGFVGPXPFUHKD-SUMWQHHRSA-N	296.439	5.098	0	20	CKAD	
CCC[C@H](N[C@H](C)CCCC(F)(F)F)c1ccsc1	426043285	NQSNXEYWKRDEPH-YPMHNXCESA-N	293.398	5.300	0	20	CKAD	
CC[C@H](N[C@H](C)c1sccc1C)c1ccc(F)cc1F	483234488	MGPFOTQJZKGGOC-ABAIWWIYSA-N	295.398	5.137	0	20	CKAD	
Cc1nc2c(s1)[C@@H](Nc1ccc(C3CCC3)cc1)CCC2	494495169	RMLZSEBVWZHIOH-KRWDZBQOSA-N	298.455	5.209	0	20	CKAD	
CC(C)(C)c1cnc(CSc2ccc3ccccc3c2)o1	503147993	YUNHBQBJQTZESH-UHFFFAOYSA-N	297.423	5.418	0	20	CKAD	
CCSc1ccc([C@@H](C)NC2(c3ccccc3)CC2)cc1	539622725	FIPPWBAZMVBCSM-OAHLLOKOSA-N	297.467	5.139	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)F)cc1)c1cccc(C)c1	565263429	WYOJKZYGGTVESA-KRWDZBQOSA-N	289.369	5.174	0	20	CKAD	
CC(C)c1ccccc1NC(=O)/C=C/Sc1ccccc1	15580211	NBCHUDJCPCMVFI-OUKQBFOZSA-N	297.423	5.055	0	20	CKAD	
Cc1ccsc1CN[C@@H](c1ccc(Cl)cc1)C(C)C	35054206	ALBWBXNYLLRVLP-MRXNPFEDSA-N	293.863	5.197	0	20	CKAD	
Cc1nc(CSCc2cccc3ccccc23)cs1	109437330	PMFXCLAFCNFRRF-UHFFFAOYSA-N	285.437	5.038	0	20	CKAD	
CC[C@H](SCc1ccc(Cl)nc1)c1ccccc1	303259553	HLVRBLYBCUUGGB-AWEZNQCLSA-N	277.820	5.120	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccsc1	382093560	HTSYTNXTPCKYHV-NHYWBVRUSA-N	279.836	5.203	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ncccc2C)C(C)C)c(C)c1	483128374	POQJBKVAUOIHKK-HKUYNNGSSA-N	296.458	5.055	0	20	CKAD	
CCCc1ccc([C@@H](C)N[C@@H](C)c2ccncc2CC)cc1	539215246	KGIBOAKZGMZZEK-CVEARBPZSA-N	296.458	5.008	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1ccnc(Cl)c1	777706882	FPILGDPGZLIFBI-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
CCCc1ccc(NC(=O)c2sccc2C(C)C)cc1	919680712	ILXWIFYZCPJMSR-UHFFFAOYSA-N	287.428	5.076	0	20	CKAD	
C[C@H](Nc1ccc2[nH]ccc2c1)c1ccc(F)c(Cl)c1	21020372	GFKRMPOQYWRQLE-JTQLQIEISA-N	288.753	5.134	0	20	CKAD	
CC[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1	50198384	NHVDMRAMTDDXSN-OAHLLOKOSA-N	294.225	5.234	0	20	CKAD	
Fc1cccc(-c2ccc(CNc3ccccc3)s2)c1	462672813	GJVDKGZFWSDZCT-UHFFFAOYSA-N	283.371	5.166	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(C(C)C)c1)c1ccncc1	527861978	FKTFWGPTYVUBCV-BEFAXECRSA-N	282.431	5.007	0	20	CKAD	
C[C@H](Nc1cccc(COC2CCCCC2)c1)c1ccco1	537486656	KVHHEOGVHJSZKO-HNNXBMFYSA-N	299.414	5.302	0	20	CKAD	
CCSc1cccc(N[C@@H]2CCCNc3ccccc32)c1	554857792	XVSMWCIDZLULGY-GOSISDBHSA-N	298.455	5.158	0	20	CKAD	
c1csc(-c2nc(CSC3CCCC3)cs2)c1	602615628	ZUHMTIMCFVXREQ-UHFFFAOYSA-N	281.471	5.047	0	20	CKAD	
Cc1ccccc1NC(=O)C[C@H](C)c1ccc(C(C)C)cc1	606157254	YTMGJQLIPVDKCU-INIZCTEOSA-N	295.426	5.251	0	20	CKAD	
CCc1nc(C)c([C@H](C)Nc2ccc(C3CC3)cc2)s1	679091093	XVBUGEAMBRLYAQ-NSHDSACASA-N	286.444	5.064	0	20	CKAD	
C[C@H](S[C@@H](C)c1cccs1)c1ncc(C(C)(C)C)o1	747810816	YIDXDELVRAKLLY-QWRGUYRKSA-N	295.473	5.589	0	20	CKAD	
CC(C)CCCCCC(=O)N1[C@H]2CC[C@H]1c1ccccc12	747876778	NPUXCDCTVCEJOR-ROUUACIJSA-N	285.431	5.011	0	20	CKAD	
Cc1ccc(NCc2cnc(C3CCCC3)s2)c(C)c1	770411610	FTRNTGWQFUBTFQ-UHFFFAOYSA-N	286.444	5.030	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1cncs1)c1ccccc1	164051226	OUCVVABRJPTABW-GOEBONIOSA-N	288.460	5.115	0	20	CKAD	
C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccsc1	182265520	ZRJLOLSSQNONFU-SNVBAGLBSA-N	285.334	5.026	0	20	CKAD	
COc1ccc(N[C@@H](C)c2cccc3ccccc23)cc1F	386608531	YULSAFZTYJMREW-ZDUSSCGKSA-N	295.357	5.161	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@H](C)c3ccccc3)oc2c1	425915485	HIWMSKKWTHFJJL-HUUCEWRRSA-N	279.383	5.153	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cc(F)ccc1F)c1cccs1	539089497	SQEXDVRBXAZEQA-HUUCEWRRSA-N	295.398	5.218	0	20	CKAD	
Cc1cc([C@H](C)NC2(c3ccccc3)CCC2)c(C)s1	540767222	PSWSNKJSRMLZRB-AWEZNQCLSA-N	285.456	5.095	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)cc1	42329890	MNNNYYAGDUNZHZ-FZKQIMNGSA-N	285.456	5.112	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(Cl)c(F)c2)c(C)s1	43389588	RLUZQRXOBJJMCJ-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
C[C@@H](NC(c1ccccc1)c1ccccc1)c1ccsc1	50338454	SYQCMQHHMFQKDP-OAHLLOKOSA-N	293.435	5.188	0	20	CKAD	
CCc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)s1	51717745	QJIIFDYWUMFNFS-QGZVFWFLSA-N	287.472	5.188	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](c1ccccc1)c1ccco1	70091044	IHIGFIHEDADALN-PBHICJAKSA-N	297.423	5.090	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc2ccccc2s1)c1ccncc1	188066656	JQIBKEGURILOBM-XJKSGUPXSA-N	296.439	5.098	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)c(F)c2)s1	212714831	HZCPCRXVQVCJEU-GHMZBOCLSA-N	297.826	5.261	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1	224973132	OGYRZVLFGFBXNS-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CCc1occc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	430403343	GWAFOFULXQCANG-UHFFFAOYSA-N	299.414	5.341	0	20	CKAD	
CC[C@@H](N[C@@H]1C[C@H](C(C)C)c2ccccc21)c1ccncc1	453220987	POKJDPBNINRGNJ-VAMGGRTRSA-N	294.442	5.007	0	20	CKAD	
CC(C)c1ccc(NCc2ncc(-c3cccs3)o2)cc1	467263357	UIAZFJLOYJVFES-UHFFFAOYSA-N	298.411	5.139	0	20	CKAD	
CSCc1cccc(N[C@H](C)c2ccc(C)s2)c1	537531545	RSSFIKGYCSCEDA-GFCCVEGCSA-N	277.458	5.093	0	20	CKAD	
CC[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(C)cc1	575007791	PJUQYJQBUOADNJ-AZUAARDMSA-N	295.426	5.062	0	20	CKAD	
C/C(=C\C(=O)Nc1ccccc1-c1cccs1)C(C)(C)C	742513963	GRMJKVRSBJNVJO-OUKQBFOZSA-N	299.439	5.346	0	20	CKAD	
CC[C@@H](NCc1ccc(CF)cc1)c1cccc(Cl)c1	777720050	DHGIVBVNEIYMOF-QGZVFWFLSA-N	291.797	5.050	0	20	CKAD	
CCC(F)(F)c1ccccc1N[C@H](C)c1nc(C)cs1	866614700	LWXFSQQYWKXPLA-LLVKDONJSA-N	296.386	5.126	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2c(F)cccc2F)c(C)s1	37122884	UMPHQNHRDMGHEX-WDEREUQCSA-N	295.398	5.055	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1ccc(Cl)cc1	42328796	PLCBVRJXRLWSSV-BZNIZROVSA-N	291.847	5.203	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H]2CCCc3sccc32)s1	61360301	RRFYIBULIJOJLS-SMDDNHRTSA-N	291.485	5.100	0	20	CKAD	
CCN(C(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C	170902834	YDZMSCZISNLWNB-UHFFFAOYSA-N	290.451	5.196	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccs1)c1ccc(Cl)s1	178177994	VOXGGAOTNDNZSE-UWVGGRQHSA-N	285.865	5.265	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC=CCC1	191551412	FQMKQLSGMRHRQR-INIZCTEOSA-N	285.431	5.057	0	20	CKAD	
COc1cccc(CNc2cccc(-c3cccs3)c2)c1	506892439	VBKNVWZELKDCBT-UHFFFAOYSA-N	295.407	5.036	0	20	CKAD	
CC[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(Cl)s1	531711584	OUUOJBJGPOQMGL-ZIAGYGMSSA-N	291.847	5.130	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2cccc(F)c2F)s1	539047186	TYRGAMZNKONCPI-GHMZBOCLSA-N	295.398	5.001	0	20	CKAD	
c1csc([C@@H](NCc2ccc3ccccc3c2)C2CC2)c1	642973538	WQUIQTKXTDOKSQ-IBGZPJMESA-N	293.435	5.142	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2Cl)cc1	21059258	LWBKUXAAQXJJEH-KGLIPLIRSA-N	273.807	5.060	0	20	CKAD	
Cc1ccc([C@H](C)NCc2csc3ccccc23)cc1	48327128	XHQCLFPJVKDURT-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)s1	51717743	QJIIFDYWUMFNFS-KRWDZBQOSA-N	287.472	5.188	0	20	CKAD	
Cc1cccc(NC(=O)Nc2ccccc2C(C)(C)C)c1C	137255581	LBWBEQKRBMEGCP-UHFFFAOYSA-N	296.414	5.245	0	20	CKAD	
Cc1nc(CS[C@@H](C)c2cccc(Cl)c2)cs1	303287076	NLHJPHDMPKOCCO-VIFPVBQESA-N	283.849	5.099	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccccc1	387353716	YVFRRTRNJHFZNK-UZLBHIALSA-N	297.442	5.276	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2cc(CC)ccc2CC)cs1	437648022	FIMMPEJMODVLQF-LBPRGKRZSA-N	289.444	5.032	0	20	CKAD	
CCC[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccsc1	443092543	JSBNLTDPJJAKMF-SJORKVTESA-N	289.419	5.006	0	20	CKAD	
CC(C)c1nc([C@@H](C)Nc2cccc3ccccc23)cs1	469771108	ZQODKBLNYFZIFW-CYBMUJFWSA-N	296.439	5.593	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](C)c1oc2ccccc2c1C	477866133	XYQMZZSIMRURNI-UONOGXRCSA-N	299.439	5.523	0	20	CKAD	
Cc1ccc2c(C(=O)Nc3c(C)cccc3C)csc2c1	483053455	PRVACKAZWGTIOE-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccsc1	544572691	ONTJPKCMPDIQBM-MRVPVSSYSA-N	287.762	5.512	0	20	CKAD	
CC[C@@H](NCc1cc2cc(C)ccc2o1)c1cccs1	561401768	JLTWVSFLKZRXSB-OAHLLOKOSA-N	285.412	5.044	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2cccc(Cl)c2)c1	602584639	NJSOXUKQXLIOCG-CHWSQXEVSA-N	289.806	5.221	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2ccc(-c3cccs3)cc2)o1	620759322	REAJVQDMJYZGNO-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
CC[C@@H](NCc1ccc(F)c(C)c1)c1ccc(Cl)cc1	50545266	NNIOYHHANCSGRM-QGZVFWFLSA-N	291.797	5.028	0	20	CKAD	
CCc1ccccc1N[C@H](C)c1cnc2ccsc2c1	68690460	MXAHYUXISRNBGT-GFCCVEGCSA-N	282.412	5.032	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)F)cc1)c1ccc(C)cc1	131334646	AOXXRLOXTQTGOZ-KRWDZBQOSA-N	289.369	5.174	0	20	CKAD	
Cc1c([C@H](C)N[C@H](C)c2cccc(F)c2)oc2ccccc12	195615946	BZJGUTBACSKZOC-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
FC(F)c1ccc(CN2CCC[C@H]2c2ccsc2)cc1	461403070	QQUNDNOBVQAJBE-HNNXBMFYSA-N	293.382	5.023	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccncc1	467866519	ULOLXCSZZKMLIM-KXBFYZLASA-N	296.458	5.181	0	20	CKAD	
CCC(CC)SCc1nc(-c2ccccc2)oc1C	518982960	HYUYMYOSWAEBLW-UHFFFAOYSA-N	275.417	5.072	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2ccc(C)cc2C)c1	537528222	CABIXCSMGULGSS-HOTGVXAUSA-N	283.415	5.184	0	20	CKAD	
CCCc1ccc([C@@H](C)N[C@H](C)c2ccncc2CC)cc1	539215248	KGIBOAKZGMZZEK-HZPDHXFCSA-N	296.458	5.008	0	20	CKAD	
CSCc1cccc(N[C@H]2CCCc3sccc32)c1	539734064	MIRSGFPLAHVAJX-HNNXBMFYSA-N	289.469	5.101	0	20	CKAD	
C[C@@H](SCCc1ccccn1)c1ccc2ccccc2c1	604070933	WKLINWQWQSMYFB-OAHLLOKOSA-N	293.435	5.272	0	20	CKAD	
CCC(CC)(CC)S[C@@H]1CCO[C@@H](c2ccncc2)C1	863325802	GDJFZIGXQPECMS-HZPDHXFCSA-N	293.476	5.004	0	20	CKAD	
Cc1cccc(C(C)C)c1NCc1csc(C2CC2)n1	340128848	GINDLESZCZBPQP-UHFFFAOYSA-N	286.444	5.064	0	20	CKAD	
Cc1cc([C@H](C)NCc2cccc3ccccc23)cs1	381517020	WFRPUKASFOSREH-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
COc1ccc2cc([C@H](C)Sc3ccccn3)ccc2c1	439275524	LHPBCMFGCLTOLV-ZDUSSCGKSA-N	295.407	5.097	0	20	CKAD	
CSc1ccc(CSc2cccc3cccnc23)cc1	614259199	IZHLZBUJZMWXSP-UHFFFAOYSA-N	297.448	5.249	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2C)C(C)C)c(C)n1	678426829	JLYMGJFMICBCJO-YLJYHZDGSA-N	296.458	5.055	0	20	CKAD	
Cc1ccc(CNCc2ccc(-c3ccccc3)s2)cc1	34995746	JPSZVZPCQITZTE-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CC(C)c1ccc(S[C@@H](C)c2nc(C(C)C)no2)cc1	58657050	NLZBJMKSMADESU-LBPRGKRZSA-N	290.432	5.170	0	20	CKAD	
Cc1oc(-c2ccccc2)nc1CSc1ccc(F)cc1	251987972	HYIOSWJYHAAIMF-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
C[C@@H](Nc1ccc(Cl)cn1)c1cccc2ccccc12	463058891	WBLVAJVGTWDZIF-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
Cc1nc2c(s1)[C@@H](Nc1cccc(C(C)C)c1)CCC2	537407368	ORADDGYHKYIUIH-INIZCTEOSA-N	286.444	5.064	0	20	CKAD	
COCCCCCS[C@@H](C)c1ccc(F)c(Cl)c1	609740349	QDDRVKIQJXEHQP-NSHDSACASA-N	290.831	5.090	0	20	CKAD	
Cc1ccc(-c2nc(CSc3ccccc3F)co2)cc1	641853115	VIMOXTLTLPQGII-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CCC[C@@H](C)NC(=O)Nc1c(C(C)C)cccc1C(C)C	642390602	XQJKMGFLUVCWRE-CQSZACIVSA-N	290.451	5.244	0	20	CKAD	
CCCCc1ccc([C@H](C)N[C@H](C)c2cnccc2C)cc1	678426971	LPZPDNJBSYVGQY-DLBZAZTESA-N	296.458	5.144	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1c(F)cccc1Cl	753471198	GDZYEELEIDLPJK-LLVKDONJSA-N	285.790	5.024	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2csc3ccccc23)o1	765836164	VKGOYVUZNKFOSA-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
COc1ccc(N[C@H](C)c2cccc3ccccc23)cc1	19996066	WSAYAVYFIOXUJN-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
CCCCN(C)C(=O)Nc1c(C(C)C)cccc1C(C)C	79067904	GRULYXGXTUVFAE-UHFFFAOYSA-N	290.451	5.197	0	20	CKAD	
Cc1cccc([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1	130194819	OFAQZRJHSNEQLS-MRXNPFEDSA-N	295.426	5.169	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@H](C)c1cccc(Cl)c1	163218859	COUCXASHYXOTRT-WDEREUQCSA-N	293.760	5.112	0	20	CKAD	
Cc1coc(C)c1C(=O)Nc1c(C(C)C)cccc1C(C)C	283267344	AQHVMEXCYBTYBO-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc3ccccc23)cs1	394503273	SIQOVXZFOWMLOL-CYBMUJFWSA-N	267.397	5.383	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@@H](C)c2ccc(Cl)s2)c1C	477951999	YAGFFRGCJRZMQU-UWVGGRQHSA-N	297.855	5.051	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H]2CCCc3ccc(F)cc32)c1	679144419	DEDCMBRGDBTTJE-YJYMSZOUSA-N	299.389	5.023	0	20	CKAD	
Cc1cc(N[C@@H](C)c2cccs2)ccc1OC(C)C	770521149	OPFJIYUQKMMGSG-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
CCCC[C@H](C)N(CCCC)C(=S)Nc1ccsc1	840761019	NMQZWSJYSKJAPL-ZDUSSCGKSA-N	298.521	5.126	0	20	CKAD	
Clc1cc(-c2ccccc2)ccc1Oc1nccs1	914864569	UMMZMELNZLNZRC-UHFFFAOYSA-N	287.771	5.256	0	20	CKAD	
CC(C)[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1	36967369	JTQUEKHPVPLASS-HKUYNNGSSA-N	297.467	5.210	0	20	CKAD	
Cc1cc(Cl)ccc1NC(=O)c1sccc1C(C)C	48876951	XEKATDDDVVHHNQ-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccsc1	50343919	MSQAINMFGZYKRC-LLVKDONJSA-N	286.425	5.045	0	20	CKAD	
CCCCC[C@H](NCc1cc(C#N)cs1)c1ccccc1	236686039	SNBKNBKLMUZZQD-SFHVURJKSA-N	298.455	5.031	0	20	CKAD	
CC(C)c1ccc([C@H](C)NCc2cccc3[nH]ccc23)cc1	315225090	FZJJTRLEHPXLAH-HNNXBMFYSA-N	292.426	5.142	0	20	CKAD	
CC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccsc1	382164171	VBUWCBWEPFSENF-AWEZNQCLSA-N	299.361	5.008	0	20	CKAD	
Cc1nc([C@H](C)Nc2cccc3ccsc23)c(C)s1	386313214	BMLFRUYFLSGWFV-VIFPVBQESA-N	288.441	5.148	0	20	CKAD	
CCSc1cccc(CN[C@H](CC)c2cccs2)c1	472063132	NEJOCKYBLXSIGD-OAHLLOKOSA-N	291.485	5.101	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)cc1	474101712	YQLHRHDZAVJEMX-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc2ncsc2c1)c1ccccc1	485793321	BNXSZNWTHMGDGR-CJNGLKHVSA-N	296.439	5.098	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@@H](C)c2ccsc2)cc1	510926108	AXWZOKUPOLQZCV-OLZOCXBDSA-N	291.485	5.272	0	20	CKAD	
C[C@H](NC[C@H](C)Cc1cccs1)c1cc2ccccc2o1	540699728	CUCXNLOOHDUNHF-KGLIPLIRSA-N	299.439	5.024	0	20	CKAD	
C[C@H](Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccoc1	583746050	JRDBXRDXBKFIIP-NSHDSACASA-N	297.320	5.293	0	20	CKAD	
CC[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376065	DCDHLVYIWJXVCQ-WOJBJXKFSA-N	297.417	5.408	0	20	CKAD	
C[C@@H](SCc1ccc(C(F)(F)F)cc1)c1ccncc1	619460491	QBZQRHYTENYTHB-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
CCc1cccc(C)c1NC(=O)c1cccc(C(C)(C)C)c1	622321973	WLFAEUBCXVVVTN-UHFFFAOYSA-N	295.426	5.107	0	20	CKAD	
CCC/C(C)=C\C(=O)N(CCC)[C@H](CC)c1ccccc1	920217776	BUHFLKLCQAIZMP-WBYGGXTKSA-N	287.447	5.123	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)c1ccncc1	120251144	UUFBUWDCOKUIKU-UZLBHIALSA-N	294.442	5.054	0	20	CKAD	
FC(F)c1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1	188411661	HYYKQYGYLZFEPR-ZYHUDNBSSA-N	293.279	5.157	0	20	CKAD	
CCCCN(CC)C(=O)Nc1ccc(-c2ccccc2)cc1	195578619	BDXKPBYLZOTWGR-UHFFFAOYSA-N	296.414	5.008	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](CC(F)F)c1ccccc1	421884255	UGSABPSKALIVTJ-YOEHRIQHSA-N	289.369	5.042	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@@H](C)c1ccccn1	537753348	YNTVXXBMXOQQHA-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
Cc1sccc1CN[C@H](C)c1cc2ccccc2s1	555547248	PKLUZIKRYASBAX-LLVKDONJSA-N	287.453	5.122	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](CC(C)C)c1cccs1	557247622	QHVSSADPBQEHCU-KBPBESRZSA-N	293.501	5.556	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1cccnc1Cl	777708568	NHCLKYGZBCUGED-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
Cc1ccc(C(C)(C)C)cc1SCc1cscn1	922202224	MLZIQJVVNRASSM-UHFFFAOYSA-N	277.458	5.041	0	20	CKAD	
COCc1cccc(N[C@H](C)c2ccc3ccccc3c2)c1	97393479	ZNWREOCPNOABNX-OAHLLOKOSA-N	291.394	5.159	0	20	CKAD	
CC(C)[C@H](C)SCc1csc(-c2cccs2)n1	463237283	VIBSJEJTJHXGGB-JTQLQIEISA-N	283.487	5.149	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](CC2CCC2)c2ccccc2)o1	495422244	ZFPAFICDARTXJH-CRAIPNDOSA-N	283.415	5.170	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H]2CCc3cc(C)ccc32)cc1	536829670	YLLRADMKRHEFEF-LIRRHRJNSA-N	297.467	5.055	0	20	CKAD	
Cc1cnc([C@@H](C)Nc2ccc3c(c2)C(C)(C)CC3(C)C)o1	537774760	RDDHQDGYNUPKMD-CYBMUJFWSA-N	298.430	5.115	0	20	CKAD	
Cc1cnc([C@H](C)SCc2cccc3ccccc23)o1	538850531	KSIXNEKDDMBMEN-ZDUSSCGKSA-N	283.396	5.131	0	20	CKAD	
C/C=C\c1ccc(N[C@H]2CCCNc3ccccc32)cc1	554087058	UGPRDGKSXYWHMO-WHBBVXQDSA-N	278.399	5.079	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cc2cnccc2o1)c1ccccc1	657823730	AMTGNLKSJIDGSA-YOEHRIQHSA-N	294.398	5.020	0	20	CKAD	
CC[C@H](N[C@@H]1CCCc2sccc21)c1cccc(F)c1	166576165	CIVADKPRYZYLTR-JKSUJKDBSA-N	289.419	5.006	0	20	CKAD	
CCCc1ccc([C@H](C)N[C@H](C)c2ccncc2CC)cc1	539215249	KGIBOAKZGMZZEK-JKSUJKDBSA-N	296.458	5.008	0	20	CKAD	
CCC(CC)(NCc1ccsc1)c1ccc(Cl)cc1	605437498	QVRBFHMSOWUDIV-UHFFFAOYSA-N	293.863	5.207	0	20	CKAD	
Fc1ccc([C@@H](Sc2ccccn2)c2ccccc2)cc1	607757281	RRLATABRIBEZND-SFHVURJKSA-N	295.382	5.102	0	20	CKAD	
CCSCc1cccc(NCc2cccc3[nH]ccc23)c1	610911527	ZCFQGBNDVZWYQE-UHFFFAOYSA-N	296.439	5.033	0	20	CKAD	
FC(F)c1ccc(CSCc2ccnc(Cl)c2)cc1	763400677	USYZIYUBIZJQSZ-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
CCCCCCSCc1csc([C@@H](C)OCC)n1	767864673	CYXWFWROLQPHJH-GFCCVEGCSA-N	287.494	5.054	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2ccc(C)cc2)cc1	36994396	PBCWOPXIDMNWHA-HUUCEWRRSA-N	285.456	5.129	0	20	CKAD	
Cc1ncc(CNc2ccc(C(C)C)cc2C(C)C)s1	37797327	FFNHORBQRSWJIU-UHFFFAOYSA-N	288.460	5.310	0	20	CKAD	
CCCOc1cccc(NCc2cccc(C(F)F)c2)c1	131787368	KNTWCDRTOYIWAJ-UHFFFAOYSA-N	291.341	5.025	0	20	CKAD	
CCCCCCc1cccnc1N(CCCC)CCCC	216880723	LEIHWNDZUBAQTO-UHFFFAOYSA-N	290.495	5.611	0	20	CKAD	
FC(F)Oc1ccc(NCc2cccc3ccccc23)cc1	386457154	WCZZUPWQHSTJGW-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
Clc1ccc2sc(/C=C/C=C/c3ccncc3)nc2c1	447366447	KLXYHVKCSGOOCV-ZPUQHVIOSA-N	298.798	5.071	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(C)c1C)c1cccs1	531966902	AFPAEVRGYRLOAN-GDBMZVCRSA-N	273.445	5.167	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cc(C)sc1C	536831345	HCRFLTHQISDMTH-SCLBCKFNSA-N	285.456	5.011	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1ccc2ccccc2c1	540141358	KIKFSDWLCLAXJV-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CC[C@@H](Nc1ccc(COC(C)C)cc1)c1cccs1	540727238	HEEKLHGXPYVFBF-MRXNPFEDSA-N	289.444	5.236	0	20	CKAD	
CSc1ccc(C)c(NCc2ccc(SC)s2)c1	580679957	YECYRCDIIJMQCE-UHFFFAOYSA-N	295.498	5.112	0	20	CKAD	
CC[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12	641936431	NLCOXLJIQKIAEO-ZDUSSCGKSA-N	294.423	5.187	0	20	CKAD	
C[C@@H](CCC1CC1)Nc1cccc(C2SCCS2)c1	769409012	IJEWHPVNVLFYDZ-LBPRGKRZSA-N	293.501	5.156	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1cnccc1C)c1ccccc1	772445655	BYRQUCUDDOOOMK-XLIONFOSSA-N	296.458	5.362	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)s1	20562805	UWMNSDCYRSHWJT-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc(-c3csc(C)n3)c2)o1	37047263	DVJYQRKCVPKOOY-GFCCVEGCSA-N	298.411	5.193	0	20	CKAD	
Cc1ccc(C(C)(C)C)cc1SCc1nc(C)c(C)o1	60533899	ITAGUIGRSLKYTA-UHFFFAOYSA-N	289.444	5.190	0	20	CKAD	
CC(C)SCC(=O)Nc1c(C(C)C)cccc1C(C)C	74439973	DMLULFAIXJTBEC-UHFFFAOYSA-N	293.476	5.014	0	20	CKAD	
CC[C@@H](Nc1ccc(Br)cc1)c1ccsc1	382115841	LRSMROFHCSLLOP-CYBMUJFWSA-N	296.233	5.074	0	20	CKAD	
Cc1occc1CN(C)[C@H](C)c1ccc(Cl)c(Cl)c1	508534310	NLIMOMIXLGGIHD-SNVBAGLBSA-N	298.213	5.088	0	20	CKAD	
CCCCCN(C(=O)[C@@H](C)c1cccs1)[C@H](C)CCC	523103955	RQRLUPSURLJUSO-CABCVRRESA-N	295.492	5.059	0	20	CKAD	
Cc1c(Cl)cccc1NC(=O)c1cccc(C2CCC2)c1	622273717	ATUMAQWFMFHVRQ-UHFFFAOYSA-N	299.801	5.168	0	20	CKAD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1ccc2ccccc2n1	679089626	LJWQDQULOSBASA-CQSZACIVSA-N	288.394	5.285	0	20	CKAD	
CCC(=O)c1cccc(NCc2ccccc2C(C)C)c1	864009032	GBAHYRYZQDVLLY-UHFFFAOYSA-N	281.399	5.015	0	20	CKAD	
CN(C(=O)Nc1cccc2ccccc12)C1CCCCCC1	22893480	DUANJMQWZBDYBH-UHFFFAOYSA-N	296.414	5.026	0	20	CKAD	
C[C@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1ccsc1	61361689	HPVBACKVTUUFNO-FZMZJTMJSA-N	299.361	5.092	0	20	CKAD	
Cc1occc1CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1	65607254	NLIMOMIXLGGIHD-JTQLQIEISA-N	298.213	5.088	0	20	CKAD	
CC[C@@H](NCc1ccc(C)c(F)c1)c1ccc(Cl)cc1	110975524	DTXZQRRWAISNIS-QGZVFWFLSA-N	291.797	5.028	0	20	CKAD	
C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1cccs1	179600255	CRFMRPGYHSARRD-JTQLQIEISA-N	285.334	5.026	0	20	CKAD	
CCC[C@@H](N[C@H](c1ncccc1C)C(C)C)c1ccccc1	483141264	GVKJSJBWPCPGLB-MOPGFXCFSA-N	296.458	5.218	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1cscn1)c1cccs1	537966742	CJUVTGHTSLNVEV-IAQYHMDHSA-N	294.489	5.033	0	20	CKAD	
CSCc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1	538636221	NDAJGLZKQMGYMB-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2ccc(C)c(C)c2)c1	538636371	SXJYXRDUYVTGOL-HOTGVXAUSA-N	283.415	5.184	0	20	CKAD	
Cc1cc(NCc2scnc2C)ccc1-c1ccccc1	570893601	QUZUJNJDWIXIHZ-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC[C@H](SCc1cccc(Cl)n1)c1ccc(F)cc1	743248979	ZLGWUUIWLHZCOU-AWEZNQCLSA-N	295.810	5.259	0	20	CKAD	
Cc1nc(C(C)C)ccc1-c1nc(C2CCCCCC2)no1	904685230	GVQMBHGEKLSOFQ-UHFFFAOYSA-N	299.418	5.001	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@@H]2CCSc3ccccc32)c1	130325356	RRIIJFMSGXRBPC-CRAIPNDOSA-N	297.467	5.191	0	20	CKAD	
CC(C)[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1	131783570	SUOYWQVLYRMORQ-QGZVFWFLSA-N	289.369	5.111	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)Nc1ccc(C(F)F)cc1	386278166	DKCPLGDFYRONFL-VIFPVBQESA-N	281.268	5.157	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ncccc2C)C(C)C)c(C)c1	483128376	POQJBKVAUOIHKK-MJGOQNOKSA-N	296.458	5.055	0	20	CKAD	
CC(C)C[C@H](NCc1cc(Cl)cs1)c1cccs1	486934319	HARMEOWEGDJLKD-ZDUSSCGKSA-N	299.892	5.340	0	20	CKAD	
Cc1nc(-c2ccc(N[C@H](C)c3cccs3)cc2)oc1C	678349651	YCJTULJSYNBVTE-GFCCVEGCSA-N	298.411	5.193	0	20	CKAD	
C[C@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1cccs1	37235515	AWBSKDQEHFWVLQ-AAEUAGOBSA-N	299.361	5.092	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCCc3sc(Cl)cc32)o1	127653417	JATPNAUFPAOFQW-CMPLNLGQSA-N	295.835	5.031	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1csc(Cl)c1	230407632	OHQZJMOFJHWKTL-BZNIZROVSA-N	291.847	5.203	0	20	CKAD	
CCCOc1ccc(N[C@H](C)c2csc(C)c2)cc1	394489667	YHNDUYMAIDNZIA-CYBMUJFWSA-N	275.417	5.018	0	20	CKAD	
C[C@@H](c1cccc(Cl)c1)[S@](=O)C1CCC(C)(C)CC1	469462457	ITRGBMKZKXYDHL-BUXKBTBVSA-N	298.879	5.119	0	20	CKAD	
COc1ccsc1[C@H](C)Nc1csc2ccccc12	471605176	KMAWBWFIWASLER-JTQLQIEISA-N	289.425	5.145	0	20	CKAD	
Cc1ccc(CSCc2cccc(C(F)F)c2)c(C)n1	479607197	TYUBEAGKTHQILW-UHFFFAOYSA-N	293.382	5.069	0	20	CKAD	
Cc1cc2cc(N[C@@H](C)c3ccccc3Cl)ccc2[nH]1	500280894	PUWLZGKPXWSHAH-LBPRGKRZSA-N	284.790	5.303	0	20	CKAD	
CC(C)OCCS[C@@H](C)c1cccc2ccccc12	519017411	GAGGYJSEFJQYTO-AWEZNQCLSA-N	274.429	5.059	0	20	CKAD	
C[C@H](SCc1csc(C2CC2)n1)c1ccc(F)cc1	536090251	ISPNWEVIZCITGB-JTQLQIEISA-N	293.432	5.154	0	20	CKAD	
C[C@@H](Nc1ccc(F)cc1)c1cccc(-c2ccncc2)c1	539609267	ISUKETNGAOEMII-CQSZACIVSA-N	292.357	5.061	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2cc(C)sc2C)c1	539734307	JENFMGXPCQSYEQ-STQMWFEESA-N	289.444	5.245	0	20	CKAD	
Cc1ccc(C)c(CNc2cccc(-c3nccs3)c2)c1	49670290	WBIPQGWJJAFOTC-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](C)c1cc2ccccc2o1	70091019	JQXGQROBRLPCGT-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
CC[C@H](SC)C(=O)Nc1c(C(C)C)cccc1C(C)C	123816973	WSMFKPJNGYISJJ-HNNXBMFYSA-N	293.476	5.014	0	20	CKAD	
Brc1ccc2cccc(-c3ccccc3)c2c1	205427158	DUXIJYYQFFRHCB-UHFFFAOYSA-N	283.168	5.269	0	20	CKAD	
C[C@H](Sc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1	303173439	JCLXBBQQEZIZEF-JTQLQIEISA-N	298.329	5.264	0	20	CKAD	
CSCc1cccc(N[C@@H]2CCCc3sccc32)c1	539734067	MIRSGFPLAHVAJX-OAHLLOKOSA-N	289.469	5.101	0	20	CKAD	
Cc1cccc(C)c1[C@@H](C)N[C@H]1CCCc2sccc21	544898389	SIISWPISIPZVII-ZBFHGGJFSA-N	285.456	5.093	0	20	CKAD	
C[C@@H](SCc1ccnc(Cl)c1)c1ccc(Cl)cc1	748590339	XAEPEBVYNLZXKP-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CC[C@H](Nc1ccc(COC)cc1)c1ccc(Cl)s1	774484123	OCMQNGMVYYYXGN-ZDUSSCGKSA-N	295.835	5.111	0	20	CKAD	
CC(C)(C)[C@H](NCc1ccc(CF)cc1)c1ccccc1	777607141	YAWITGQVUUVZLO-GOSISDBHSA-N	285.406	5.033	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1nccs1)c1ccccc1	80267684	VDXNVXGWXCWXHL-GOEBONIOSA-N	288.460	5.115	0	20	CKAD	
Cc1cscc1CNCc1cc(-c2ccccc2)cs1	94877537	MQQFXNUKKSJOPM-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
Cc1cccc([C@H](N[C@H](C)c2ccoc2)C(C)(C)C)c1	531721526	JWNMVYYQCLPBTC-PBHICJAKSA-N	271.404	5.026	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H]1CCc2c(Cl)cccc21	539044396	PZYJNKUTTVGVGH-XHDPSFHLSA-N	291.847	5.048	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1cccs1	556057931	ZFNGAIVFDGNICQ-DYVFJYSZSA-N	285.456	5.427	0	20	CKAD	
CCCCCCSc1nnc(-c2cccc(Cl)c2)o1	915794445	JYHYRYHNUCZFRZ-UHFFFAOYSA-N	296.823	5.062	0	20	CKAD	
CCC/C(C)=C\C(=O)N(CCC)[C@@H](CC)c1ccccc1	920217781	BUHFLKLCQAIZMP-ZPWFJYARSA-N	287.447	5.123	0	20	CKAD	
CCCC[C@@H](CC)C(=O)Nc1c(C)cccc1C(C)C	6042854	RQLYWDWAZWWODB-OAHLLOKOSA-N	275.436	5.273	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccccc1	36967541	OFTROVUAHYNCGC-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CC[C@H](N[C@H](C)c1csc(Cl)c1)c1cccs1	191215336	NMTPVVHVEZZCTF-KOLCDFICSA-N	285.865	5.265	0	20	CKAD	
CC[C@@H](Nc1ccc(COC)cc1)c1cccc(Cl)c1	383602213	OUKITBBSNRPGSE-QGZVFWFLSA-N	289.806	5.050	0	20	CKAD	
CC[C@@H](SCc1sc(C)nc1C)c1ccccc1	437250941	AGUQAUHZERNDDM-CQSZACIVSA-N	277.458	5.144	0	20	CKAD	
FC(F)(F)CCSCCc1ccc2ccccc2c1	437444853	ZTRAPORDJXHHAB-UHFFFAOYSA-N	284.346	5.068	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H]1CCCc2sccc21)C1CC1	468048188	FOWWXKUBHVTLFF-MJGOQNOKSA-N	297.467	5.175	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1	531960819	VVZGEKVZWWTBHA-UONOGXRCSA-N	289.444	5.112	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](CC2CC2)c2ccccc2)c1	538632521	CYWLMZDKYLQYRT-FOIQADDNSA-N	295.426	5.347	0	20	CKAD	
CCC[C@H](C)CC(=O)Nc1cc(C(F)F)ccc1Cl	580627400	FHGREMRIJZXJSF-VIFPVBQESA-N	289.753	5.042	0	20	CKAD	
C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1cccc(F)c1	608376187	MUBYLAUYMWAZAS-AUUYWEPGSA-N	283.390	5.018	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC1(C)C	613876099	NJMZJALSMUUNFP-INIZCTEOSA-N	287.447	5.137	0	20	CKAD	
CSc1cccc(C)c1N[C@H](C)c1ccccc1F	630063725	XNCUDGKZPLVZPX-GFCCVEGCSA-N	275.392	5.029	0	20	CKAD	
CC[C@H](NCc1ccccc1Cl)c1cccc(Cl)c1	21818681	YZWKWXVOBZIRJE-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)s1	49160448	DDCIRQVSRYWEJG-UONOGXRCSA-N	299.439	5.523	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H]2CCCc3sccc32)s1	61360300	RRFYIBULIJOJLS-BXUZGUMPSA-N	291.485	5.100	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc(C)sc2C)cs1	381487961	PHMHDHCKUMNDQV-VXGBXAGGSA-N	279.474	5.147	0	20	CKAD	
Cc1ccc(CNc2cccc(-c3cccs3)c2)c(C)n1	478371969	DLOGXHKFIFTLGH-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
C[C@@H](Nc1csc2ccccc12)c1ccc2c(c1)COC2	495405886	CNPNAMBEKFJVRC-GFCCVEGCSA-N	295.407	5.105	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](c2cccnc2)C2CCC2)cc1	516885661	PMSBOMDZDRWGSI-KPUAHBEZSA-N	278.399	5.068	0	20	CKAD	
CC(C)c1cccc(OCc2coc(-c3cccs3)n2)c1	669168447	LCLKSODURUYRHP-UHFFFAOYSA-N	299.395	5.106	0	20	CKAD	
C[C@H](Nc1ccccc1CC(F)(F)F)c1ccccc1F	679153111	OPFNXQHMVDUTDF-NSHDSACASA-N	297.295	5.104	0	20	CKAD	
CCCCCC[C@H](C)C(=O)N1CCC[C@H]1c1cccs1	741890593	NNWYXJPDWKDTSJ-GJZGRUSLSA-N	293.476	5.018	0	20	CKAD	
C[C@H](SCCCCC(F)(F)F)c1cccs1	751786544	VMFGDPCDKZGBLW-VIFPVBQESA-N	268.369	5.275	0	20	CKAD	
FC(F)c1ccc(CSCc2cccnc2Cl)cc1	763401334	YTAUGNRRMSVMGY-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccccc1F	168750875	CYYDNWYXEANKTH-OALUTQOASA-N	283.390	5.018	0	20	CKAD	
C[C@H](Nc1cccc2ccncc12)c1cc2ccccc2o1	387907333	UQGDJZIVBLCUIY-ZDUSSCGKSA-N	288.350	5.154	0	20	CKAD	
CCc1nc(CS[C@H](CC)c2ccccc2)cs1	507739679	FHGSPDBXLFQQCL-CQSZACIVSA-N	277.458	5.090	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(COC(C)C)cc2)s1	539629923	OEYAZQPDEBFWOH-CQSZACIVSA-N	289.444	5.155	0	20	CKAD	
c1ccc([C@H](CC2CC2)NCc2cc3ccccc3o2)cc1	608064518	XVROQCDQMPZVFN-IBGZPJMESA-N	291.394	5.064	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](CC1CC1)c1ccccc1	679046707	SRGANINVDXLLKS-YOEHRIQHSA-N	285.456	5.249	0	20	CKAD	
Cc1cc(F)ccc1CN[C@@H](C)c1csc2ccccc12	730018870	BISDZWCDRXQQHZ-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
Cc1ccc(F)c(/C=C(\Cl)c2nc3ccccc3o2)c1	734981042	MJJRIIAUWLQANL-XFXZXTDPSA-N	287.721	5.012	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cc(C)oc1C)c1ccccc1	37062564	VMSWZSBUZINWNJ-RDTXWAMCSA-N	271.404	5.088	0	20	CKAD	
CCC[C@H](N[C@H]1CSCc2ccccc21)c1ccccc1	37300173	OOUTYZOQIBYTDJ-OALUTQOASA-N	297.467	5.106	0	20	CKAD	
CC[C@H](NCc1csc2ccccc12)c1ccccc1	50198336	COPUEADNTLENSZ-KRWDZBQOSA-N	281.424	5.142	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(Cl)c1)c1c(F)cccc1F	96698298	MVBQEBXMLPRIOY-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
CCC[C@@H](Nc1cccc(C2CCC2)c1)c1ccccn1	462940692	CGTKVAUCVNNEDO-LJQANCHMSA-N	280.415	5.302	0	20	CKAD	
CCc1[nH]ccc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	505271532	HLFZAOVLQUCCSA-UHFFFAOYSA-N	298.430	5.076	0	20	CKAD	
Cc1cc(C)cc(NCc2cnc(-c3ccccc3)s2)c1	509894544	OUBAQVYAZXSXNH-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)cc1	539738921	MREHUOLRFIWZKZ-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc3ccsc23)c(C)n1	679151561	VMEKUCGZKAHATH-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
CC(C)c1cnc(CS[C@@H](C)c2ccc(F)c(F)c2)o1	754249400	JSXUJJOIECMSQI-JTQLQIEISA-N	297.370	5.071	0	20	CKAD	
C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1cccs1	788844650	COWNBDOGVDQYKT-MRVPVSSYSA-N	289.347	5.015	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1ccccc1F	21816461	ZKVVYUUTZVFOCC-ZDUSSCGKSA-N	265.331	5.152	0	20	CKAD	
C[C@@H](NCc1ccc(C2CC2)cc1)c1cc2ccccc2o1	317068934	VBJDFNSKUIDCJY-CQSZACIVSA-N	291.394	5.161	0	20	CKAD	
CC(C)(C)c1cnc(CSc2cc(Cl)ccc2F)o1	506381712	ONBGODXKIZBQQM-UHFFFAOYSA-N	299.798	5.057	0	20	CKAD	
CC1(CC(=O)Nc2ccccc2C(F)(F)F)CCCCC1	508397196	ZIHCNWKCKOCRCH-UHFFFAOYSA-N	299.336	5.004	0	20	CKAD	
O=C(CC1CCCCC1)N1CCCCC[C@H]1c1ccccc1	519116948	UTUKYEPUHHUUJC-IBGZPJMESA-N	299.458	5.101	0	20	CKAD	
CCSc1cccc(NCc2ccc(C(F)F)cc2)c1	527514261	LOBMQZLXAUPEOZ-UHFFFAOYSA-N	293.382	5.348	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@H](CC(C)C)c2ccccc2C)c1	560525235	KAFXEIIHYAUYNR-YLJYHZDGSA-N	296.458	5.136	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NCc1scnc1C	568339154	XMYVJKKQDIDPQI-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC(C)n1ccc(CSCc2ccc3ccccc3c2)n1	609740358	QPCJIUDYMGSFQP-UHFFFAOYSA-N	296.439	5.051	0	20	CKAD	
C[C@@H](SCCCOc1ccccc1)c1cccs1	737403770	JYJBPMSUQIIKEH-CYBMUJFWSA-N	278.442	5.011	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2csc3ccccc23)c(C)o1	774172980	SPFMDHRKUDQDBB-QWHCGFSZSA-N	299.439	5.523	0	20	CKAD	
Cc1ccsc1CN[C@H](C)c1csc2ccccc12	776167914	GXDFZPYFKUAHAB-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1	36967373	JIHLWHCBGNNJLK-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccsc1	50342787	DCLWCDCRULHQGK-MLGOLLRUSA-N	291.435	5.325	0	20	CKAD	
CC(C)(C)c1csc(CNc2cccc3ccccc23)n1	94963578	PGHLUYUXUQHDDJ-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
Cc1cscc1CN[C@H](C)c1cc2ccccc2s1	126626309	XURLWYRQSXKXAB-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
Cc1cncc([C@H](C)N[C@@H](C)c2cc3ccccc3s2)c1	184350378	GJIUDBALAWWOQH-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1F	185357779	CZDFNQFYTMQXMJ-INIZCTEOSA-N	293.332	5.004	0	20	CKAD	
Cc1csc(CN[C@@H](C)c2cc3ccccc3s2)c1	380630038	BKMGFOCILZSVSS-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2csc(C)c2)cc1	381327808	ANDDTTBIOBWGNG-OLZOCXBDSA-N	291.485	5.190	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCc3ccc(C(C)C)cc32)o1	427871085	HSMLLMVCNRIGLG-KBXCAEBGSA-N	283.415	5.050	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1	540854363	PFUMYMPYAJHYTD-ZDUSSCGKSA-N	280.371	5.124	0	20	CKAD	
c1c[nH]c([C@@H](Nc2ccc(C3CC3)cc2)C2CCCCC2)n1	671758451	SUSPJXWBNQRGPS-SFHVURJKSA-N	295.430	5.021	0	20	CKAD	
Cc1occc1CN[C@@H](C)c1ccc(-c2ccccc2)cc1	675780358	XGBQAQDFPCQFDQ-HNNXBMFYSA-N	291.394	5.106	0	20	CKAD	
c1ccc2c(CNc3ccc(C4CCC4)cc3)cncc2c1	783260772	AHLJAWJWNRDGEW-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc3oc(C(C)C)nc3c2)o1	37136863	SBZIYZDCBNDCCQ-LBPRGKRZSA-N	284.359	5.026	0	20	CKAD	
Clc1ccc([C@@H]2CC=Cc3ccccc32)cc1Cl	114639968	ZLSPQUYRIXMVNQ-AWEZNQCLSA-N	275.178	5.542	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccc(Cl)c1)c1ccsc1	382059266	AKWGOEQUZUKLPJ-CVEARBPZSA-N	293.863	5.594	0	20	CKAD	
CC/C(=C\c1nc(-c2ccsc2)no1)c1ccc(C)cc1	438754755	PFCWDLLEVWCRBD-JLHYYAGUSA-N	296.395	5.057	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccc1SC)c1ccccc1	440627266	SVLWQDLUXXLMOG-WMLDXEAASA-N	285.456	5.210	0	20	CKAD	
C[C@@H](SCCC(F)(F)F)c1ccc(F)c(Cl)c1	524885064	IAVVIEGZSYMDIS-SSDOTTSWSA-N	286.721	5.226	0	20	CKAD	
CC(C)c1ccccc1N(C)C(=O)c1sccc1C1CC1	564256666	LUYGBIHNHASIOZ-UHFFFAOYSA-N	299.439	5.026	0	20	CKAD	
CCCC(CCC)[S@](=O)[C@H]1CCc2cc(Cl)ccc21	794817616	KDLQQPMQICOCBH-LPHOPBHVSA-N	298.879	5.045	0	20	CKAD	
C[C@@H](Cc1cccs1)Nc1ccccc1NC(C)(C)C	798935602	SAVBIUJBVYCYDQ-ZDUSSCGKSA-N	288.460	5.002	0	20	CKAD	
C[C@H](NC1CC(F)(F)C1)c1ccccc1SC(C)(C)C	815620027	FWTFOEPUFLJGIP-NSHDSACASA-N	299.430	5.026	0	20	CKAD	
C[C@@H](Nc1ccc(F)cc1)c1ccccc1C(F)(F)F	21015695	GWMBQWITUFZUNR-SNVBAGLBSA-N	283.268	5.018	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2cccc(C(C)C)c2)s1	111360032	YWUDVWZPBWBOTN-LBPRGKRZSA-N	274.433	5.056	0	20	CKAD	
CC(C)[C@@H](NCc1ccsc1Cl)c1ccc(F)cc1	312562418	QPWNWQRJKCQCGA-CQSZACIVSA-N	297.826	5.028	0	20	CKAD	
CCC(CC)(CC)[S@@](=O)[C@H](C)c1cccc(Cl)c1	431173218	PAYFMXOJHNXYBA-XIKOKIGWSA-N	286.868	5.119	0	20	CKAD	
Clc1ccc([C@@H](CC2CC2)NCc2ccsc2)cc1	469230023	SBVOHXZOKYPJQN-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
CSc1ccc(CN[C@@H](c2ccccc2C)C(C)C)cc1	482189392	WZSGMJYBXRVYAT-LJQANCHMSA-N	299.483	5.204	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccncc1	483500407	HXSRRDBKSSWUDV-JXFKEZNVSA-N	296.458	5.082	0	20	CKAD	
FC(F)(F)CCCCSCCCCC(F)(F)F	507632030	BYCCRONWFZOUCP-UHFFFAOYSA-N	282.293	5.185	0	20	CKAD	
CC[C@H](CC(F)(F)F)N[C@@H](C)c1oc2ccccc2c1C	546870821	SFRWFMSHUKNLKP-NWDGAFQWSA-N	299.336	5.123	0	20	CKAD	
CCN(Cc1ccoc1)[C@@H](C)c1cccc2ccccc12	588236475	AFXCLJJSYVWGJJ-HNNXBMFYSA-N	279.383	5.016	0	20	CKAD	
CCC(CC)C(=O)Nc1c(C(C)C)cccc1C(C)C	638324552	BEHBGXSIWMHDGV-UHFFFAOYSA-N	275.436	5.308	0	20	CKAD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1nccc2ccccc12	685653271	DNHJVUHLIICDSV-CQSZACIVSA-N	288.394	5.285	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCc3ccc(Cl)cc32)s1	763395356	MRKLMWNBVDVGSC-IAQYHMDHSA-N	291.847	5.048	0	20	CKAD	
COc1ccc2cc(N[C@H](C)c3ccsc3)ccc2c1	797017610	BRIFUOIZQLTNPG-GFCCVEGCSA-N	283.396	5.083	0	20	CKAD	
CC[C@H](N[C@H](C)c1cncs1)c1cccc2ccccc12	886790378	BHCRFKGDZDKVTP-DYVFJYSZSA-N	296.439	5.098	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc3ccccc23)o1	20553528	DNHLHLQJWPXGMI-GJZGRUSLSA-N	279.383	5.153	0	20	CKAD	
C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1cccs1	37119164	FMHVCAVSBAHOMP-BLLLJJGKSA-N	291.435	5.325	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2cccs2)C2CC2)c(C)s1	42330870	XUJSUVSBVNQCIN-BZNIZROVSA-N	291.485	5.228	0	20	CKAD	
CCC[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccsc1	443091119	HGPXJLWXOLJLHA-MRXNPFEDSA-N	289.419	5.007	0	20	CKAD	
CC(C)[C@@H](Nc1cccc(C2CCC2)c1)c1cccnc1	462939532	GFBHFLDEHXFMGY-LJQANCHMSA-N	280.415	5.158	0	20	CKAD	
Cc1cc2cc([C@@H](C)N[C@H](C)CC(F)(F)F)oc2cc1C	468051936	QXBNHNAOJNZKFP-VXGBXAGGSA-N	299.336	5.041	0	20	CKAD	
CCC[C@H](CC)S[C@H](C)c1nnc(-c2cccs2)o1	477037915	RNGWEDQYGYKYPB-MNOVXSKESA-N	296.461	5.171	0	20	CKAD	
CC[C@H](NCc1cc2c(C)cc(C)cc2[nH]1)c1cccs1	479530552	UGJOLGFXWNVGIR-INIZCTEOSA-N	298.455	5.087	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2cccs2)cc1OC(C)C	494465601	BPFAIYNJGDBGHM-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
CC[C@H](N[C@@H](c1cccs1)C1CC1)c1cccc(C)c1	514082798	IRZZJCKAWXXGHA-FUHWJXTLSA-N	285.456	5.249	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@H](C)c2ccccc2)cc1	531960312	OUUYCJFZOKFLII-CABCVRRESA-N	285.456	5.210	0	20	CKAD	
CC(C)C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cccs1	540156402	OUHPXCCYYBOODS-CHWSQXEVSA-N	287.419	5.003	0	20	CKAD	
C[C@H](SCCCOc1ccccc1)c1cccs1	737403771	JYJBPMSUQIIKEH-ZDUSSCGKSA-N	278.442	5.011	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C=C1CCCC1	917660561	XALANUQSTDTDNG-UHFFFAOYSA-N	291.394	5.101	0	20	CKAD	
c1csc([C@H](NCc2cccc3ccccc23)C2CC2)c1	49956680	RXXHODMUOOTFPO-LJQANCHMSA-N	293.435	5.142	0	20	CKAD	
O=C(c1ccc2ccccc2c1)c1cccc2ccccc12	137150701	NCQFYRXGNRIRMO-UHFFFAOYSA-N	282.342	5.224	0	20	CKAD	
c1cc(CNc2cccc3ccsc23)c2ccncc2c1	386208688	GXUKCFVZRBLDTI-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
CCC[C@H](NC1(c2cccc(F)c2)CC1)c1ccsc1	443077266	JEMPXYYOHSCOMW-INIZCTEOSA-N	289.419	5.007	0	20	CKAD	
C/C=C/c1ccc(NCc2cnc(C3CCC3)s2)cc1	581571008	VZIVBCPCGKWQKU-DUXPYHPUSA-N	284.428	5.056	0	20	CKAD	
CC(C)C[C@H](C)CC(=O)Nc1ccccc1-c1ccccc1	589854713	YTYZWJJUMZMOGL-INIZCTEOSA-N	295.426	5.364	0	20	CKAD	
C[C@@H](SCc1cccc2ccccc12)c1ccncc1	609782812	WUZMEVXYOMAMBL-CQSZACIVSA-N	279.408	5.229	0	20	CKAD	
Clc1ccc([C@@H](Nc2nc3ccccc3o2)C2CC2)cc1	613362819	WBYTWCYAZGAANI-INIZCTEOSA-N	298.773	5.044	0	20	CKAD	
CCC[C@@H](N[C@H](CC)c1ccc(CC)cc1)c1ccccn1	675815634	DBQNQCQUUFEROP-UYAOXDASSA-N	296.458	5.226	0	20	CKAD	
C[C@H]1CSC(SC(c2ccccc2)c2ccccc2)=N1	760181316	AFYGUZYIRVMFEH-ZDUSSCGKSA-N	299.464	5.001	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccccc2F)cc1	21800898	NQDBLQJTNPBMBI-CYBMUJFWSA-N	257.352	5.122	0	20	CKAD	
C[C@H](Nc1ccc(OC2CCCC2)cc1)c1ccccc1	37016042	ISMBZYMKVQYBAP-HNNXBMFYSA-N	281.399	5.181	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccc(C(C)C)cc1C(C)C	58395251	BJVSKXZDEYGWAX-ZSOIEALJSA-N	273.420	5.228	0	20	CKAD	
CCCCN(C)C(=O)Nc1c(CCC)cccc1C(C)C	189957492	ZQOQBPBXLHRSCN-UHFFFAOYSA-N	290.451	5.026	0	20	CKAD	
Cc1cscc1N[C@@H](C)c1sc(C(C)(C)C)nc1C	387232074	NHUHRYPSTUZVAY-JTQLQIEISA-N	294.489	5.292	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2cc(C)sc2C)cc1	540753866	UKYYOPUEGJDGDU-CYBMUJFWSA-N	289.444	5.075	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)cc1)c1ccc(F)cc1F	606466977	DXNZLLMTHAIRCX-ACJLOTCBSA-N	289.369	5.075	0	20	CKAD	
CC(C)c1ccc(C[S@](=O)[C@@H](C)C(C)C)c(C(C)C)c1	610294485	ITVDGGCFOMLBNJ-YWZLYKJASA-N	294.504	5.227	0	20	CKAD	
CCCCCC[C@H](CC)C(=O)N(C)[C@@H](C)c1cccs1	740923522	HSRFQBGQNMFLLC-GJZGRUSLSA-N	295.492	5.264	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2csc3ccccc23)o1	765836168	VKGOYVUZNKFOSA-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
C[C@H](N[C@H]1CCCc2ccccc21)c1ccc(Cl)s1	35286155	RKWJKVJVUKJJTH-FZMZJTMJSA-N	291.847	5.130	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2cccc(C)c2)cc1	37292208	GGPLDFBXJCDHKS-GJZGRUSLSA-N	285.456	5.129	0	20	CKAD	
C[C@@H](NCc1ccoc1)c1cc2c(ccc3ccccc32)o1	181554151	BCNYGXABLUNBCK-CYBMUJFWSA-N	291.350	5.030	0	20	CKAD	
Cc1ccc(SCc2coc(-c3cccc(F)c3)n2)cc1	501517250	AACUQFWARAYLRY-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)Nc1c(C)cc(C)cc1C	522683843	AEEATPWCSNYOPF-MRXNPFEDSA-N	275.436	5.157	0	20	CKAD	
FC1(F)CCC[C@@H](N[C@@H](c2cccs2)C2CCCC2)C1	536843474	CQCZLIYFAOENFZ-UKRRQHHQSA-N	299.430	5.147	0	20	CKAD	
CC[C@H](NC1(c2ccccc2)CC1)c1ccc(Cl)s1	537421840	BYLPYSOHCICNNN-ZDUSSCGKSA-N	291.847	5.132	0	20	CKAD	
C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccc2ccccc2c1	540156738	JVVQJMCLPAMARC-GUYCJALGSA-N	289.369	5.068	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccoc1	543594948	QSWAYEMWKRYYRP-MRVPVSSYSA-N	271.694	5.044	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc(C(F)F)nc2)cc1Cl	657940212	IGYXUWWPHSLZCW-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
Cc1cccc2c1CC[C@@H]2Nc1ccc(COC(C)C)cc1	679010986	PLJZSVZSKAPPMO-FQEVSTJZSA-N	295.426	5.019	0	20	CKAD	
CC(C)CCCCCC(=O)N1CCC[C@@H]1c1cccs1	747874611	QFEVGLMZEXOZTL-OAHLLOKOSA-N	293.476	5.018	0	20	CKAD	
C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccnc(Cl)c1	786969144	FRABDSAVZVUBEA-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc3ccccc23)o1	20553530	DNHLHLQJWPXGMI-CABCVRRESA-N	279.383	5.153	0	20	CKAD	
CC[C@@H](N[C@H](c1cccs1)C1CC1)c1ccc(C)cc1	42330370	LHZJRQUAOGHNSM-AEFFLSMTSA-N	285.456	5.249	0	20	CKAD	
Cc1ccccc1CN[C@@H](C)c1cccc(Cl)c1Cl	227530361	CIPAKIDEMAPPPE-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(F)c(Cl)c2)cs1	381705490	HRTMUSSFNALWEN-VIFPVBQESA-N	269.772	5.022	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccsc1)c1cccc(Cl)c1	382059272	AKWGOEQUZUKLPJ-JKSUJKDBSA-N	293.863	5.594	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccccc1	414227228	VZBRGEGTKGBRAX-YJBOKZPZSA-N	290.410	5.037	0	20	CKAD	
CC(C)N(C(=O)c1ccc2ccccc2c1)C1CCCCC1	504672670	BYDVNUSZLKUBRG-UHFFFAOYSA-N	295.426	5.023	0	20	CKAD	
CC(C)c1ccc([C@H](NCc2ccsc2)C(C)C)cc1	518768939	SZZJQVSFWDFYOF-GOSISDBHSA-N	287.472	5.358	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCc3c(Cl)cccc32)s1	537945263	HFJGFLBNVYADLI-ABAIWWIYSA-N	291.847	5.048	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@@H](C)c1csc2ccccc12	772452852	AIBSKYSOHCDTBU-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
Cc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)ccc1C=O	1975556128	WDTDINATNCJYKE-UHFFFAOYSA-N	298.691	5.147	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)s2)cc1	36992292	WPDICFIULVHXHZ-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1ccc(C)cc1	37048143	MKJRHRFMYZBGIV-GOEBONIOSA-N	273.445	5.167	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1nccs1	80257817	NJWUZACUDNKTNJ-BBRMVZONSA-N	288.460	5.068	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1cc2ccccc2o1	386130459	DYDNBJXZQVCDFW-LLVKDONJSA-N	287.309	5.544	0	20	CKAD	
C[C@H](Nc1cnn(C(C)(C)C)c1)c1cc2ccccc2s1	446889881	CUFQQMLOUWAZSQ-LBPRGKRZSA-N	299.443	5.026	0	20	CKAD	
FC(F)c1ccc(CN2CCC[C@@H]2c2cccs2)cc1	461382726	CTPAVGFSJOVFNP-CQSZACIVSA-N	293.382	5.023	0	20	CKAD	
c1cc(CSc2ccc(C3CCCCC3)cc2)no1	522501622	JYSBZYICNJGDCR-UHFFFAOYSA-N	273.401	5.015	0	20	CKAD	
C/C=C\c1ccc(NCc2ncc(-c3cccs3)o2)cc1	561851786	PNMDRMRINVBQCP-RQOWECAXSA-N	296.395	5.048	0	20	CKAD	
Cc1ccc2oc(CN[C@H](c3ccccc3)C(C)C)cc2c1	563654380	DNBPTCWNGSZXRO-FQEVSTJZSA-N	293.410	5.228	0	20	CKAD	
CCC[C@@H](N[C@@H](CC)c1ccc(CC)cc1)c1ccccn1	675815630	DBQNQCQUUFEROP-AZUAARDMSA-N	296.458	5.226	0	20	CKAD	
CC(C)c1cccc(NCc2ccnc(Cl)c2Cl)c1	811468138	DRGPSTAWSPSVRS-UHFFFAOYSA-N	295.213	5.124	0	20	CKAD	
C/C(=C\C(=O)Nc1c(C)cccc1C(C)C)c1ccccc1	917530118	XMRQVJDCFSTGFN-DTQAZKPQSA-N	293.410	5.160	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)c1sccc1C1CC1	301757147	BSXGYTHKABFYLB-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
Cc1csc(CN[C@H](c2cccs2)C2CCCC2)c1	379299152	YPCFYIUENDHESL-INIZCTEOSA-N	291.485	5.139	0	20	CKAD	
CC[C@H](Nc1nccc2occc12)c1ccc(Cl)cc1	462927839	IGAMCJJQDFLZKY-AWEZNQCLSA-N	286.762	5.044	0	20	CKAD	
CC(C)c1ccc(NC(=O)CC2CCC2)c(C(C)C)c1	463105593	NWARLHPJTKOWBM-UHFFFAOYSA-N	273.420	5.062	0	20	CKAD	
c1cc(C2CCC2)ccc1NCc1cnc(C2CCC2)s1	487171437	JCQQECBUCGQGFK-UHFFFAOYSA-N	298.455	5.290	0	20	CKAD	
C[C@@H](Sc1cccc2cccnc12)c1cccc(F)c1	502828312	QBWFUGGIMMWBMX-GFCCVEGCSA-N	283.371	5.227	0	20	CKAD	
CCCCN(C(=O)/C(C)=C(\C)CC)[C@@H](C)c1ccc(C)o1	779830498	WACIOMARNJSVDO-MDJJKAFGSA-N	291.435	5.024	0	20	CKAD	
Clc1cc(Br)c2c(c1)oc1ccccc12	2171549831	PUDPVBPTWXTKGQ-UHFFFAOYSA-N	281.536	5.002	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccc1SC)c1ccccc1	409837828	SVLWQDLUXXLMOG-RHSMWYFYSA-N	285.456	5.210	0	20	CKAD	
Clc1cccc(-c2cnc(CSCC3CCC3)o2)c1	437422786	CGSNNPOGPHCMFX-UHFFFAOYSA-N	293.819	5.028	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1ccco1)C(C)(C)C	484295226	UXHGBKTXFJDOFS-WMLDXEAASA-N	271.404	5.026	0	20	CKAD	
CCCC[C@H](NCc1ccccc1C)c1ccc(OC)cc1	488499756	XZSKGZBNMOZNCY-FQEVSTJZSA-N	297.442	5.025	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)CC1CCCC1	510218642	SVHHNSAFSRQGSY-OAHLLOKOSA-N	287.447	5.273	0	20	CKAD	
CC[C@H](S[C@@H](C)c1ncc(C)o1)c1ccc(Cl)cc1	537747945	GCGVUERVVCQOFV-FZMZJTMJSA-N	295.835	5.582	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H]2CCc3ccc(Cl)cc32)o1	544084544	GLQHFEGMZVXCPE-YGRLFVJLSA-N	293.819	5.118	0	20	CKAD	
CC(C)[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccccn1	766080343	DNDZNDHUOYKFCB-MOXGXCLJSA-N	294.442	5.007	0	20	CKAD	
CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1c1ccsc1	775658855	DDJKVYPIYAWXIS-GOEBONIOSA-N	293.476	5.018	0	20	CKAD	
Cc1cccc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1	20549915	UTARDLDJOPSRRW-GFCCVEGCSA-N	295.304	5.067	0	20	CKAD	
FC(F)Oc1cccc(NCc2ccc3ccccc3c2)c1	195613960	YZWZPMANLWWNKG-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccsc1)c1ccc(Cl)cc1	382173953	WRUIWFZVHJKUKZ-JKSUJKDBSA-N	293.863	5.594	0	20	CKAD	
CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1csc(Cl)c1	468789020	BUCICKIIIVOMTQ-SCZZXKLOSA-N	299.789	5.029	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)oc1C	502371505	HXFGBDKHCWWGGI-KGLIPLIRSA-N	297.398	5.363	0	20	CKAD	
Cc1nc(COc2ccccc2-c2ccccc2)c(C)s1	507073518	MAMMWEBDDYHYBD-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
COc1ccccc1S[C@H](C)c1cccc(Cl)c1	521386517	IPKGYOZJEKMMME-LLVKDONJSA-N	278.804	5.202	0	20	CKAD	
Cc1ccc(NCc2cnc(-c3ccc(C)cc3)s2)cc1	604415226	GWPXFBUTQXMLTO-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC(C)c1ccc(CN[C@@H](C)c2cccnc2)c(C(C)C)c1	679934789	FXESCKSJWKVQBK-INIZCTEOSA-N	296.458	5.179	0	20	CKAD	
CC[C@@H](SC[C@@H]1CC1(Cl)Cl)c1ccccc1	747363879	MIJZQEDAVDSBJO-NWDGAFQWSA-N	275.244	5.065	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccc(C(C)(C)O)cc2)cc1	863989545	SBRVAHQQAVLPOS-OAHLLOKOSA-N	297.442	5.211	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C1(C)CCCC1	914734182	ZUQQDPOBMZCNCV-UHFFFAOYSA-N	293.410	5.181	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccc(F)cc1	35019576	GMNOLOKYDUKTBP-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1cccc(F)c1)c1ccc(F)cc1	36968303	VQCXFNQIECOJPC-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1c([C@H](C)N[C@@H](C)c2cccs2)oc2ccccc12	37235076	DFDKEUGSPRUGKR-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
C[C@@H](Nc1ccc(CCC(F)(F)F)cc1)c1ccsc1	182335252	JISGUMADJGPAIE-LLVKDONJSA-N	299.361	5.416	0	20	CKAD	
CC[C@H](Nc1ccc(OC(C)C)cc1)c1ccsc1	382138871	QHBCUVLCPXWXRM-INIZCTEOSA-N	275.417	5.099	0	20	CKAD	
Cc1cncc([C@@H](C)Nc2cccc(C(F)F)c2Cl)c1	467643749	NIXGOUTWLFLVHT-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
CC(=O)[C@H](Sc1ccc(C(C)C)cc1)c1ccccc1	498109166	WXKYNFWIAPHPDF-SFHVURJKSA-N	284.424	5.232	0	20	CKAD	
CCC[C@@H](NCc1ccco1)c1ccc(Cl)c(Cl)c1	500898431	UERLYZSVUNZQPR-OAHLLOKOSA-N	298.213	5.217	0	20	CKAD	
Cc1cccc(N[C@H](C)c2sc(C(C)C)nc2C)c1	540710981	YBVMDSYEZFUPMP-GFCCVEGCSA-N	274.433	5.056	0	20	CKAD	
CC[C@@H](C)Oc1cccc(N[C@H](c2cccnc2)C(C)C)c1	559878716	SJBZYRIRDNLTNX-BEFAXECRSA-N	298.430	5.068	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CC1(C)CCCC1	562889963	PTUMYGYAFYJLJZ-UHFFFAOYSA-N	273.420	5.027	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2csc3ccccc23)c1	743475774	VQXHVUQOPCUXNF-HUUCEWRRSA-N	295.451	5.622	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccnc(Cl)c2)cc1	776791446	IZHLEIBXIYMUEY-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
CCc1cc(C)cc(CC)c1NC(=O)/C=C(/C)C(C)(C)C	797361789	WXMGSRSXDWRGLX-OWBHPGMISA-N	287.447	5.051	0	20	CKAD	
Clc1ncccc1CNc1cccc(-c2ccccc2)c1	814241894	YCDJDWJJESKNJC-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)cc1	37770735	NMJNOQJMWOTPJD-OLZOCXBDSA-N	291.797	5.199	0	20	CKAD	
C[C@H](Sc1ccccn1)c1ccc2ccccc2c1	59833241	WJFHAMNLFPNPMC-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)C(C)C	171881261	QHHAJFCWVWAUDM-AWEZNQCLSA-N	275.436	5.164	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(C(C)(C)C)cc1	315363110	BYOKEOSLRLQOOD-GJZGRUSLSA-N	297.442	5.102	0	20	CKAD	
CC[C@@H](Nc1ccc(OC(C)C)cc1)c1ccsc1	382138880	QHBCUVLCPXWXRM-MRXNPFEDSA-N	275.417	5.099	0	20	CKAD	
CC[C@@H](NCc1ccc(C2CC2)cc1F)c1cccs1	425923179	NPVFTMJBJJXSHM-MRXNPFEDSA-N	289.419	5.006	0	20	CKAD	
CC(C)OCc1ccc(N[C@H](C)CCc2ccccc2)cc1	495637098	JGTHXMYSTQUKAT-QGZVFWFLSA-N	297.442	5.045	0	20	CKAD	
CC[C@@H](Nc1ccc(CSC)cc1)c1ccccc1	495728134	WHRWDWPWZLJJCI-QGZVFWFLSA-N	271.429	5.113	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccccc1	531961091	USMSKEJHCDAPHK-KUHUBIRLSA-N	283.390	5.018	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCc3c(Cl)cccc32)s1	537945266	HFJGFLBNVYADLI-XHDPSFHLSA-N	291.847	5.048	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H](C)c2cccc3ccccc23)o1	539950396	FTRVUYRQHYYDFU-UONOGXRCSA-N	297.423	5.692	0	20	CKAD	
CCSc1ccccc1[C@H](C)N[C@H]1CCCC(F)(F)C1	540158883	QUNXARPTLKMITH-STQMWFEESA-N	299.430	5.027	0	20	CKAD	
CC(C)[C@@H](NCCCC(F)(F)F)c1cc2ccccc2o1	557876005	GXACRYCUSLBRRP-OAHLLOKOSA-N	299.336	5.062	0	20	CKAD	
C[C@@H](Sc1ccc2ccccc2c1)c1ccncc1	619948821	OUGKRZZVVIUGMH-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
CCCc1nc(CS[C@@H](C)c2cccs2)cs1	737402948	RHUYGNVOQPGKFH-JTQLQIEISA-N	283.487	5.152	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc2ccccc2[nH]1)c1ccc(C)cc1	775626118	HWXJVFCZHPISOK-QAPCUYQASA-N	292.426	5.278	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1Cl	20552944	RNHLRXSMHRSPTF-ZIAGYGMSSA-N	273.807	5.060	0	20	CKAD	
CCc1ccc(NC(=O)Nc2c(CC)cccc2CC)cc1	243560758	OLVRZEJSRUUBOV-UHFFFAOYSA-N	296.414	5.018	0	20	CKAD	
CC[C@H](N[C@H](c1ccc(F)cc1)C(C)C)c1ccsc1	382083573	FXBFDHKZRDSIEG-IRXDYDNUSA-N	291.435	5.325	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccs1)c1ccc(C2CC2)cc1	417355897	OOXJSXDXXANUFK-CHWSQXEVSA-N	271.429	5.037	0	20	CKAD	
C[C@H](Nc1nccc2occc12)c1cc2ccccc2s1	462848268	OSRBSNOGGVNZHJ-NSHDSACASA-N	294.379	5.216	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2cccc(C)c2C)c1	540751722	NSRYQHXTDGIJLT-INIZCTEOSA-N	283.415	5.013	0	20	CKAD	
C[C@H](SCc1cccc(C(F)(F)F)c1)c1cccnc1	567423119	BQDGZFVBFGJQBR-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1ccnc(Cl)c1	777602145	IJDMXZAUQGISLT-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
CC[C@@](C)(NCc1cccc(C(F)F)c1)c1ccccc1	791489972	KNWLMKMWRKTKJZ-GOSISDBHSA-N	289.369	5.039	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cccc(F)c2F)c(C)s1	222716478	JDNUYMWSKKSYTM-QWRGUYRKSA-N	295.398	5.055	0	20	CKAD	
CC(=O)c1c(C)cc(C)c(CNc2cccc(C)c2C)c1C	247829208	KOKQNWJLVHLIEG-UHFFFAOYSA-N	295.426	5.043	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2occc21)c1cccc2ccccc12	314354310	LVCJPGRLPZHWOZ-IFXJQAMLSA-N	291.394	5.161	0	20	CKAD	
Cc1ccc(C)c(SCc2oc(C(C)C)nc2C)c1	436475179	NHQKRDJWTRHGSN-UHFFFAOYSA-N	275.417	5.016	0	20	CKAD	
Cc1ccc(C(=O)Nc2ccccc2CCC(C)C)c(C)c1	519330645	GFTVXISRQYBNPR-UHFFFAOYSA-N	295.426	5.144	0	20	CKAD	
Cc1ccc(SCc2coc(-c3ccccc3)n2)cc1C	652522224	ZNVCJEHKLHEFAT-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
C/C(=C/C(=O)Nc1ccccc1-c1cccs1)C(C)(C)C	742513964	GRMJKVRSBJNVJO-SEYXRHQNSA-N	299.439	5.346	0	20	CKAD	
Cl/C(=C\c1cc2ccccc2o1)c1nc2ccccc2o1	750902437	JSZQOJKNNZTWEM-RAXLEYEMSA-N	295.725	5.311	0	20	CKAD	
FC(F)c1cccc(CSCc2cccc(Cl)n2)c1	794899321	VMGOYZRETDLNSE-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)c(C)o1	44729505	KJNDOQPPETXMAC-QWRGUYRKSA-N	295.785	5.101	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](CC)c2cccs2)s1	49529650	VSQRNMCLSGAQES-YPMHNXCESA-N	279.474	5.174	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2cccc(C(C)C)c2)s1	111360030	YWUDVWZPBWBOTN-GFCCVEGCSA-N	274.433	5.056	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@@H](C)c1nccs1	179817278	QFARSMOROVMSIE-VIFPVBQESA-N	298.864	5.082	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2ccc(Cl)nc2)c1	179880244	LPAVZGMIUYTXJZ-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccccc2C)C2CC2)c(C)o1	447534715	ZKEUXMJZMGDYHF-LIRRHRJNSA-N	283.415	5.007	0	20	CKAD	
CC[C@H](N[C@H]1C[C@@H](C(C)C)c2ccccc21)c1ccncc1	447542778	POKJDPBNINRGNJ-UFYCRDLUSA-N	294.442	5.007	0	20	CKAD	
CC(C)(C)c1ccc(N[C@@H](c2cncc(F)c2)C2CC2)cc1	467352644	HSGGCXAQHGLZFV-GOSISDBHSA-N	298.405	5.081	0	20	CKAD	
CC(=O)[C@H](Sc1ccc2ccccc2c1)c1ccccc1	509964656	WRKKTGDZFHCGGA-IBGZPJMESA-N	292.403	5.262	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2ccccc2Cl)c1	602584627	GKRYETKWFYUEPO-CHWSQXEVSA-N	289.806	5.221	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775624239	YZASKQZLMXDVBF-YJBOKZPZSA-N	292.426	5.360	0	20	CKAD	
CC(C=CC=C(C)CCO)=CC=C1C(C)=CCCC1(C)C	1857776068	LWSSYLJSLZBNKE-UHFFFAOYSA-N	286.459	5.510	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2cccs2)C2CC2)c(C)s1	42330872	XUJSUVSBVNQCIN-ZBEGNZNMSA-N	291.485	5.228	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)s2)s1	49162070	NSKQBTNCUUOTMO-NWDGAFQWSA-N	279.474	5.092	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cccs1)c1ccc(F)cc1	49528961	MDWCFAISMBQANU-HUUCEWRRSA-N	277.408	5.079	0	20	CKAD	
CC[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccsc1	382069912	CAWMWAYSOZFMEL-CYBMUJFWSA-N	285.334	5.330	0	20	CKAD	
C[C@H](Nc1ccc2c(c1)COC2)c1cccc2ccccc12	389016368	KVCCOIXIZRVEBN-AWEZNQCLSA-N	289.378	5.043	0	20	CKAD	
CCc1nc(CS[C@@H](C)c2cccc(C)c2)cs1	437272910	YITURERRUSCMBS-LBPRGKRZSA-N	277.458	5.008	0	20	CKAD	
Cc1cncc([C@H](C)N[C@H](CC(C)(C)C)c2ccccc2)c1	467751167	FKYWPFUCAPPRLY-QFBILLFUSA-N	296.458	5.218	0	20	CKAD	
CCCN1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1	471182582	MMRSQOQBXQHPSF-MRXNPFEDSA-N	298.430	5.012	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccc(Cl)cn2)cc1	480182845	QGCKVRJNDRYPNO-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@@H]2CCc3ccccc32)cc1	531705028	MWMOOQOEANFZCI-AUUYWEPGSA-N	297.467	5.137	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(C)c1C)c1ccc(F)cc1	606467805	HZXZZTMBAZULIR-KXBFYZLASA-N	285.406	5.244	0	20	CKAD	
CSc1cccc(C)c1N[C@@H](C)c1ccccc1F	630063726	XNCUDGKZPLVZPX-LBPRGKRZSA-N	275.392	5.029	0	20	CKAD	
CCc1nc(C)c([C@@H](C)Nc2ccc3ccccc3c2)s1	776782851	LYHQFEBJEZKOBA-GFCCVEGCSA-N	296.439	5.340	0	20	CKAD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1cccc(O)c1	799716970	CEHOYBIIENZZDZ-STQMWFEESA-N	297.423	5.019	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1F	134645279	ZZKYWOFCTWANKI-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
Cc1csc(CNCc2ccc(-c3ccccc3)cc2)c1	379272512	MZIURLBNVJSOCM-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CC[C@H](N[C@@H](c1ccc(F)cc1)C(C)C)c1ccsc1	382083566	FXBFDHKZRDSIEG-DLBZAZTESA-N	291.435	5.325	0	20	CKAD	
CCSCc1cccc(N[C@@H](C)c2cccc(F)c2)c1	439594255	KFKNGSJKWSBTQI-ZDUSSCGKSA-N	289.419	5.252	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1cncc(C)c1)c1ccccc1	467751013	DIFHRCXIESNPJC-UZLBHIALSA-N	296.458	5.218	0	20	CKAD	
CCC(CC)CC(=O)Nc1ccccc1-c1cccs1	468874932	FOPIIYFTHMWGDG-UHFFFAOYSA-N	287.428	5.180	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H]2CCSc3ccccc32)c1C	531711743	WEKMPNWIAWVBSN-YJBOKZPZSA-N	297.467	5.191	0	20	CKAD	
C/C=C\c1ccc(N[C@H](CCC)c2cccnc2)cc1	568017335	ICWBYBUNTVHLCN-VDNIUXDYSA-N	266.388	5.068	0	20	CKAD	
COc1ccccc1SCc1ccc2ccccc2c1	606755281	FAZJKSLABIOJDM-UHFFFAOYSA-N	280.392	5.141	0	20	CKAD	
CC(C)c1cnc(CSCc2cccc3ccccc23)o1	733207496	HXTDUBWOBAUMFX-UHFFFAOYSA-N	297.423	5.385	0	20	CKAD	
CC[C@H](NCc1cc(C)ccc1F)c1ccc(Cl)cc1	227283073	SQFMBAJYXZVKJA-KRWDZBQOSA-N	291.797	5.028	0	20	CKAD	
C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1cccc(O)c1	385996065	LFYGGEZHMMSQOU-BEFAXECRSA-N	297.442	5.220	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H]1CCc2ccc(C)cc21	503930402	RRYOUTDKSXFCRR-RDTXWAMCSA-N	297.467	5.055	0	20	CKAD	
CCC[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccsc1	527487552	BEBHHLSUTFYICS-DLBZAZTESA-N	289.419	5.006	0	20	CKAD	
Cc1csc(-c2ccc(N[C@@H](C)c3ccc(C)o3)cc2)n1	539733362	AUCNYZSJWUEHPI-ZDUSSCGKSA-N	298.411	5.193	0	20	CKAD	
Cc1ccncc1[C@H](C)Nc1cccc(C(F)F)c1Cl	543597336	KXZGSYBYFALZMS-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1cccc(C2CC2)c1	556054299	FWIWRORQSPOKHW-DJJJIMSYSA-N	297.467	5.427	0	20	CKAD	
CC(C)c1ccc(CS[C@@H](C)c2cccnc2)cc1	604565436	XKBIZCYOPIXHJU-AWEZNQCLSA-N	271.429	5.199	0	20	CKAD	
Cc1cc(C)c([C@@H](C)Sc2nc(C)c(C)o2)c(C)c1	620259078	JOPMMJNVZVYRHE-CQSZACIVSA-N	275.417	5.070	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccsc1)c1ccsc1	669850953	PWHLUPSHIWFAKA-SMDDNHRTSA-N	265.447	5.002	0	20	CKAD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1ccccc1F	732919050	XXASHGVDYSTSGH-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1cccc(F)c1	743475640	UHUCKYCCGZUJLJ-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
CCC(CC)(CC)[S@@](=O)[C@H]1CCc2cc(Cl)ccc21	794818226	RQRDYKLRZGLWJG-KXBFYZLASA-N	298.879	5.045	0	20	CKAD	
Cc1ccsc1-c1nc(-c2c[nH]c3ccccc23)cs1	28334346	JRHROIRBWJJCRZ-UHFFFAOYSA-N	296.420	5.328	0	20	CKAD	
C[C@H](Nc1cccc(Oc2ccccc2)c1)c1nccs1	86510243	VBIWMOYFQVBSEH-ZDUSSCGKSA-N	296.395	5.109	0	20	CKAD	
CSc1ccc(N[C@@H](CC(C)C)c2ccccn2)cc1	182813365	AQQPEPNPWPMJOD-KRWDZBQOSA-N	286.444	5.003	0	20	CKAD	
C[C@@H](NCc1ccccc1C1CC1)c1cc2ccccc2o1	378930391	XLZKAZMWYGPJPC-CQSZACIVSA-N	291.394	5.161	0	20	CKAD	
Cc1coc(S[C@@H](C)c2ccc(Cl)c(Cl)c2)n1	478726370	XRFUDDPRKJEJSH-QMMMGPOBSA-N	288.199	5.143	0	20	CKAD	
CCSc1ccc([C@H](C)NCc2cccc(C)c2C)cc1	504035333	YKVMXPHFUIUHRU-INIZCTEOSA-N	299.483	5.266	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccco1	531708008	WUMGAMOQILCWLM-FZKQIMNGSA-N	287.378	5.001	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C)c2C)s1	531711902	QAXFHLNVKPYKHL-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1ccoc1	540839574	WOKXOGNHYSDXCU-GFCCVEGCSA-N	269.369	5.181	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@@H](C)c2ccncc2F)cc1	559900698	RPZNXGRCXFUGGK-ZDUSSCGKSA-N	286.394	5.081	0	20	CKAD	
Cc1ccc([C@@H]2C[C@H]2c2nc(C3CCCCC3)no2)cc1C	904357254	JWIVVMIVVACCQK-DLBZAZTESA-N	296.414	5.005	0	20	CKAD	
Cc1cc(C)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)[nH]1	130069598	GAROEKHMKUHUAZ-UHFFFAOYSA-N	298.430	5.131	0	20	CKAD	
Cc1ccccc1CN[C@H](C)c1cccc(Cl)c1Cl	227530364	CIPAKIDEMAPPPE-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
Cc1cccc(CSCc2coc(-c3ccccc3)n2)c1	303004428	ZCCUBMAGPZXKCR-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CC[C@H](Nc1ccc(COC)cc1)c1cccc(Cl)c1	383602212	OUKITBBSNRPGSE-KRWDZBQOSA-N	289.806	5.050	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(OC(C)C)cc2C)cs1	394501959	QZDLDXBRAVEGMQ-AWEZNQCLSA-N	289.444	5.325	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H]2CCc3c(C)cccc32)cc1	467405837	HTCDWRSPOWVCEU-IFXJQAMLSA-N	297.467	5.055	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(F)cc1	532216186	ULCQNTRXIRKBPN-LIRRHRJNSA-N	283.390	5.018	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@H](C)c1ccncc1	538635889	GBRJLCOGYYDJFJ-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
CC(C)c1ccsc1C(=O)Nc1ccc(C2CC2)cc1	678485272	DHEYOEYHUPEKBK-UHFFFAOYSA-N	285.412	5.001	0	20	CKAD	
CC[C@@H](N[C@@H]1CCC(F)(F)C1)c1cccc2ccccc12	682138998	PDSCOJFKEMKLIS-RHSMWYFYSA-N	289.369	5.068	0	20	CKAD	
C/C(=C\Cl)CSCc1nc(-c2ccccc2)oc1C	797810103	KNGREIYIOIRYMU-DHZHZOJOSA-N	293.819	5.026	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1F)c1ccc(Cl)cc1	20000659	GDADFBKJGBIWTL-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)oc1C)c1ccc(C)cc1	37048237	XTPZIIWAGNXXMB-KSSFIOAISA-N	271.404	5.007	0	20	CKAD	
CCC[C@@H](N[C@@H]1CSCc2ccccc21)c1ccccc1	37300171	OOUTYZOQIBYTDJ-RTBURBONSA-N	297.467	5.106	0	20	CKAD	
C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccsc1	61361692	HPVBACKVTUUFNO-BXUZGUMPSA-N	299.361	5.092	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)CC/C=C\c1ccccc1	255740188	JCNFCAZXTBMGMR-WZUFQYTHSA-N	299.801	5.081	0	20	CKAD	
Cc1cccc(S[C@@H](C)c2ncc(-c3ccccc3)o2)c1	303660491	DDYMUXOJWFKVEI-AWEZNQCLSA-N	295.407	5.503	0	20	CKAD	
CC(C)[C@H](C)S[C@H](C)c1ncc(-c2ccccc2)o1	463222324	NIBMCRJKDDVRMW-QWHCGFSZSA-N	275.417	5.180	0	20	CKAD	
CCCC(CCC)SCc1csc([C@@H](C)OC)n1	476462577	SPIDDHRUQCJYQM-LLVKDONJSA-N	287.494	5.053	0	20	CKAD	
CCCc1ccccc1NC(=O)c1csc2ccccc12	497480843	PBHKVXCZEULARB-UHFFFAOYSA-N	295.407	5.106	0	20	CKAD	
Cc1nc(S[C@H](C)c2ccc3ccccc3c2)oc1C	515852527	CWMTWMGHHFQCEC-CYBMUJFWSA-N	283.396	5.298	0	20	CKAD	
C[C@@H](Sc1cccs1)c1ccc(OC(F)F)cc1	524034098	IBNFYSVLFFAOIJ-SECBINFHSA-N	286.368	5.203	0	20	CKAD	
CC1(C)CCC[C@H](CC(=O)N2[C@H]3CC[C@H]2c2ccccc23)C1	530308110	JNESFIZRANOPHU-JLSDUUJJSA-N	297.442	5.011	0	20	CKAD	
C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1F	538549622	IMUYMCBVHUWTPD-LLVKDONJSA-N	296.345	5.017	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](c2ccc(C)o2)C2CCC2)c1	541768024	BRWSNBIOWANYNJ-KUHUBIRLSA-N	299.414	5.249	0	20	CKAD	
CCC[C@@H](C)CC(=O)Nc1cccc(C(F)F)c1Cl	543502697	GIXHYOGGNAEXEF-SECBINFHSA-N	289.753	5.042	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3ccncc3s2)cc1	657846829	SWDCJPALQJPKGW-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@H](C)c1csc(Cl)c1)CC2	682494343	RAUNAEXBBCTSKK-ABAIWWIYSA-N	291.847	5.048	0	20	CKAD	
C(=C\c1nc2ccccc2s1)\c1ccc2cnccc2c1	683732863	IHZKVCFKRFMNBE-VURMDHGXSA-N	288.375	5.015	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccccc2C)c(C)s1	19991777	IYBPXBBWGUUGGU-UONOGXRCSA-N	273.445	5.085	0	20	CKAD	
Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1cccc(F)c1	37202760	FSDCPIWPFIAXOJ-SNVBAGLBSA-N	292.423	5.061	0	20	CKAD	
CCC[C@@H](N[C@H]1CSCc2ccccc21)c1ccccc1	37300175	OOUTYZOQIBYTDJ-MOPGFXCFSA-N	297.467	5.106	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2ccc(C)cc2)s1	41631763	SUHDUXWZKQSEDI-KBPBESRZSA-N	273.445	5.031	0	20	CKAD	
Cc1ccccc1SCc1csc(-c2ccco2)n1	60430497	ZALCZVXHINUPJJ-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CCCC(CCC)n1c(C)c(C)c2c(Cl)nc(C)nc21	98179337	JQYIKVZWTXJRHO-UHFFFAOYSA-N	293.842	5.151	0	20	CKAD	
CC[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccsc1	382124932	NLCILKIDJPYTQT-CQSZACIVSA-N	294.851	5.031	0	20	CKAD	
COCc1cccc(N[C@H](c2ccc(C)o2)C2CCCC2)c1	541770345	WDNFAADYUKXJQW-IBGZPJMESA-N	299.414	5.078	0	20	CKAD	
CC(C)C[C@H](C)CC(=O)Nc1cc(Cl)ccc1Cl	589853912	JNXOPPGQUPFMQM-JTQLQIEISA-N	288.218	5.004	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2ccc(Cl)cc2)c1	602584075	CAPPPOPODHTOGV-CYBMUJFWSA-N	289.806	5.050	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2C)C(C)C)c(C)n1	678426828	JLYMGJFMICBCJO-XLIONFOSSA-N	296.458	5.055	0	20	CKAD	
C[C@@H](SC1=Nc2ccccc2C1)c1ccc(F)cc1F	735794075	INRARCGIISSMPB-SNVBAGLBSA-N	289.350	5.045	0	20	CKAD	
CC[C@H](SC[C@@H]1CC1(Cl)Cl)c1ccccc1	747363880	MIJZQEDAVDSBJO-RYUDHWBXSA-N	275.244	5.065	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccccc2)C2CC2)c(C)s1	37075050	IRKMGFGVYYFPSV-SCLBCKFNSA-N	285.456	5.167	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@H](C)c2ccc(C)s2)c1	37103445	KXYKVNGGJKYAJI-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
Cc1cccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1	37119025	HFLHBNGVOGVMBB-GOSISDBHSA-N	285.406	5.011	0	20	CKAD	
Cc1c([C@H](C)N[C@H]2CCCc3occc32)oc2ccccc12	315712299	XJEKPLKTMDSLOV-BBRMVZONSA-N	295.382	5.062	0	20	CKAD	
Cc1cc(C)c(NC(=O)CC[C@H](C)c2ccccc2)c(C)c1	441281340	FOZYNTRVFHCQLW-HNNXBMFYSA-N	295.426	5.134	0	20	CKAD	
CC[C@H](N[C@H]1CCCc2occc21)c1ccc(Cl)s1	480766226	CERHNRZDDVYMMB-RYUDHWBXSA-N	295.835	5.113	0	20	CKAD	
Cc1ccc(NC(=O)[C@@H](CC(C)C)c2ccccc2)c(C)c1	525331988	KXUCEQXSYIGBPG-SFHVURJKSA-N	295.426	5.072	0	20	CKAD	
Cc1cccc([C@@H](C)SC2=Nc3ccccc3CS2)c1	742451700	XZEXIULICLUZON-CYBMUJFWSA-N	299.464	5.724	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cncs1)c1cc(C)sc1C	903305032	GFZYMFOSUXRVHY-SMDDNHRTSA-N	294.489	5.013	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccsc1	22391730	PRDXBKOFNPSOED-UHFFFAOYSA-N	287.428	5.247	0	20	CKAD	
Cc1ncc(CSc2c(Cl)cccc2Cl)s1	195595180	IKEYJZBSRJDCEO-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
CSCc1cccc(N[C@@H](C)CCCC(F)(F)F)c1	548483585	OSROUTGKTBDSBR-NSHDSACASA-N	291.382	5.083	0	20	CKAD	
Cc1ccc2oc(CN[C@H]3C[C@@H](C)c4ccccc43)cc2c1	577545739	CTQCVTAGVWJUDN-KUHUBIRLSA-N	291.394	5.079	0	20	CKAD	
C[C@H](SCc1cccc(Cl)n1)c1ccc(F)c(F)c1	743248898	UJKDTKQHFZHGTK-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2cccnc2Cl)c1	776803786	WCMDBIVVEFTRCH-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sc(Cl)cc21)c1cccs1	127461689	JXLIDFFKHJOXEH-MWLCHTKSSA-N	297.876	5.191	0	20	CKAD	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1cscn1	165767950	FOBLINMQVHEFJV-CYBMUJFWSA-N	296.395	5.109	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(F)cc1	184927340	VJWAVYORFMHWSE-MRXNPFEDSA-N	293.332	5.004	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1	421513628	XYLWCUHDJDVCMD-ZACQAIPSSA-N	299.458	5.137	0	20	CKAD	
C[C@H](CCC(C)(C)C)C(=O)Nc1ccccc1C(F)F	425080251	ANUCQMLULPQJEL-LLVKDONJSA-N	283.362	5.025	0	20	CKAD	
Cc1c([C@@H](C)Nc2csc3ccccc23)cnn1C(C)C	468925660	KVPVXRSSPDCONF-GFCCVEGCSA-N	299.443	5.160	0	20	CKAD	
c1cncc([C@H](Nc2ccc(C3CCC3)cc2)C2CCC2)c1	481998718	LREMEHRVFSMPOA-HXUWFJFHSA-N	292.426	5.302	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	499742236	KAJLUDPUZQMXGR-OCCSQVGLSA-N	293.476	5.260	0	20	CKAD	
CCCCC(=O)Nc1ccc(Sc2ccccc2)cc1C	500758979	MWAKAMVFJKLVRV-UHFFFAOYSA-N	299.439	5.275	0	20	CKAD	
CC(=O)c1cccc(N[C@H](C)c2ccc3ccccc3c2)c1	515834834	DHEDJMPLDMWORA-CQSZACIVSA-N	289.378	5.216	0	20	CKAD	
Cc1cc(F)ccc1/C=C(\Cl)c1nc2ccccc2o1	750901186	COROWWCYLWVGTB-LCYFTJDESA-N	287.721	5.012	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1cncc(C)c1)c1ccccc1	768221761	VRONFDYERBIZPV-XLIONFOSSA-N	296.458	5.362	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1	858578033	XAEBTQCDADXREG-MJBXVCDLSA-N	288.460	5.068	0	20	CKAD	
COc1ccc2cc(N[C@H](C)c3ccccc3F)ccc2c1	864012279	BSLHZFNSHIABPO-CYBMUJFWSA-N	295.357	5.161	0	20	CKAD	
C[C@@H](c1ccc2ccccc2c1)c1nc(C2CCCC2)no1	904356205	HOUUZKPFQMFAAL-ZDUSSCGKSA-N	292.382	5.032	0	20	CKAD	
CC(C)(C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl	5496120	RNNJFOAYKPJOEU-UHFFFAOYSA-N	294.609	5.022	0	20	CKAD	
C[C@@H](Nc1ccc(SC(C)(C)C)cc1)c1cccnc1	112541515	USRIWOCZIQPFRY-CYBMUJFWSA-N	286.444	5.145	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(Cl)s1)CC2	149487795	IKEMWJSDIPOPML-SMDDNHRTSA-N	291.847	5.048	0	20	CKAD	
Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)s1	195719292	OYXMAWAPXBGNLN-GOSISDBHSA-N	285.456	5.078	0	20	CKAD	
CC(C)(NCc1c(Cl)cccc1Cl)c1ccccc1	311966857	QBOJCKQBJGPOIP-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
CCO[C@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)cs1	437651160	OINSVERASZZHHQ-GFCCVEGCSA-N	289.444	5.205	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cccc(Cl)c2F)c(C)o1	481029453	YSISPBQTKNDFJC-QWRGUYRKSA-N	295.785	5.101	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1ccco1)C(C)(C)C	484295224	UXHGBKTXFJDOFS-PBHICJAKSA-N	271.404	5.026	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc(N3CCCCCC3)c2)o1	540837174	BXAFFUAQYJNYBC-INIZCTEOSA-N	298.430	5.142	0	20	CKAD	
Cc1cccc(C)c1[C@H](C)N[C@@H]1CCCc2sccc21	544898385	SIISWPISIPZVII-GOEBONIOSA-N	285.456	5.093	0	20	CKAD	
C[C@H](Nc1ccc(C2CCC2)cc1)c1ccnc(Cl)c1	786969149	FRABDSAVZVUBEA-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3o2)c(C)o1	37070940	INYZERLTGPQVFZ-QWHCGFSZSA-N	283.371	5.054	0	20	CKAD	
C[C@@H](NCc1ccc(-c2ccccc2)s1)c1ccsc1	61361500	LVCNVPJLCLQZBA-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCc3sc(Cl)cc32)s1	129610109	ZFKWDTPEQLADQK-GXSJLCMTSA-N	297.876	5.110	0	20	CKAD	
Cc1cccc(C)c1[C@@H](C)NCc1ccc(C(F)F)cc1	461376804	OGSHMPHXSSGAQU-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cccc(Cl)c2F)c(C)o1	481029452	YSISPBQTKNDFJC-MNOVXSKESA-N	295.785	5.101	0	20	CKAD	
C[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1	540749565	HKEQRIPOZMPDDO-NSHDSACASA-N	296.345	5.017	0	20	CKAD	
CC(C)C[C@H](Nc1ccc(C2CC2)cc1)c1ccccn1	679089131	GQKCRZUUKUDNHG-IBGZPJMESA-N	280.415	5.158	0	20	CKAD	
C[C@@H](SCc1cccc(F)c1F)c1cccs1	737403596	GPHYKLKDNWRMHX-SECBINFHSA-N	270.369	5.021	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)c1C	775632079	GOSMMZBFGAPBGJ-HOTGVXAUSA-N	292.426	5.197	0	20	CKAD	
Cc1ccsc1CN[C@H](c1ccc(F)cc1)C(C)(C)C	37119089	OKCJUSWMBDFZSO-MRXNPFEDSA-N	291.435	5.073	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)sc1C)c1cccs1	37122810	ROECNPYEVGCHAD-BXUZGUMPSA-N	279.474	5.228	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccccc1	127176150	GBXFXTGXVYWHLU-RISCZKNCSA-N	291.847	5.130	0	20	CKAD	
C[C@H](NCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1	131299171	VIBZPCNKHYONIA-NSHDSACASA-N	295.760	5.128	0	20	CKAD	
C(=C/C=C/C=C/c1ccccc1)\C=C\C=C\c1ccccc1	136514035	NODIXMQDAGGDJQ-GDHZPREYSA-N	284.402	6.082	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccsc1	382108022	PLGBGBVPRDSSKP-SWLSCSKDSA-N	285.412	5.296	0	20	CKAD	
CCC[C@H](NCc1ccc(Cl)cc1)c1ccsc1	443088284	AIEDGNAYEICHPJ-HNNXBMFYSA-N	279.836	5.033	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCCC2	472689273	GYHKGYLDISTNLD-KRWDZBQOSA-N	299.458	5.281	0	20	CKAD	
CC(C)(C)c1nc(CSc2ccc(F)cc2F)cs1	511052048	ZLPBLGFGCYILGX-UHFFFAOYSA-N	299.411	5.011	0	20	CKAD	
CC[C@@H](Nc1ccc(C)c(OC(F)F)c1)c1ccccc1	524457076	GLNZJEFLTWLCAK-OAHLLOKOSA-N	291.341	5.160	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)c3ccccc23)o1	559736825	ULXQCEAFRULZOZ-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
CCC[C@@H](Nc1ccc(O[C@H](C)CC)cc1)c1cccnc1	756815360	KZUBKTMBRSUKND-DNVCBOLYSA-N	298.430	5.212	0	20	CKAD	
FC(F)c1ccc(-c2nc(C3CCCCCC3)no2)cc1	904680013	QIHSBRRYNOJYRU-UHFFFAOYSA-N	292.329	5.112	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccccc2C)c(C)s1	19991768	IYBPXBBWGUUGGU-KGLIPLIRSA-N	273.445	5.085	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(C(C)C)cc2)c(C)s1	35252830	PLDILSSMWBWRNM-AWEZNQCLSA-N	287.472	5.339	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(Cl)s1	35286154	RKWJKVJVUKJJTH-BXUZGUMPSA-N	291.847	5.130	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](c2ccccc2)C2CC2)cc1	37075147	CPOOSCBASWMFAB-IFXJQAMLSA-N	297.467	5.210	0	20	CKAD	
C[C@H](Nc1cccc(Oc2ccccc2)c1)c1cscn1	165767821	FOBLINMQVHEFJV-ZDUSSCGKSA-N	296.395	5.109	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1F)c1cc2ccccc2s1	223361036	WBQCUTHDBHRKJP-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
Cc1cc(CN[C@H](C)c2cccc3ccccc23)ccc1F	315639423	WFTCBOUJECQGSY-OAHLLOKOSA-N	293.385	5.138	0	20	CKAD	
CCCOc1cccc(CN[C@H](CC)c2ccc(C)cc2)c1	387026829	LQSJBMFGGULAKI-HXUWFJFHSA-N	297.442	5.025	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)CCCC(C)(C)C)c1C	434010844	GHSOKIMSMGOLNY-UHFFFAOYSA-N	281.827	5.112	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1cccs1)c1ccc(F)cc1F	484524690	XUPHHQTZARMVEN-ZBEGNZNMSA-N	295.398	5.074	0	20	CKAD	
Cc1nc(CSCc2ccc(C(C)C)cc2)cs1	522999261	ADFSBCWALRPTJN-UHFFFAOYSA-N	277.458	5.008	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H](C)c2ccc3ccccc3c2)o1	537747610	DDOUIFPVVDJVFM-KBPBESRZSA-N	297.423	5.692	0	20	CKAD	
Cc1cc(Cl)ccc1NC(=O)c1cccc(C2CCC2)c1	622286043	MQAKTIQVGMTQFW-UHFFFAOYSA-N	299.801	5.168	0	20	CKAD	
C[C@H](NCc1ccco1)c1ccccc1SC(C)(C)C	798179482	BVIPFOVHVRSZPC-ZDUSSCGKSA-N	289.444	5.021	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1	37075148	CPOOSCBASWMFAB-AUUYWEPGSA-N	297.467	5.210	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccc(F)cc2)C(C)(C)C)o1	37119192	CRINIJOAACRLEC-CXAGYDPISA-N	289.394	5.165	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2ccc(Cl)s2)c1	130200790	VOWMWSUASAKGDY-GHMZBOCLSA-N	295.835	5.282	0	20	CKAD	
CC[C@@H](Nc1ccc(C(C)C)cc1)c1ccsc1	382122058	MYLOIANFLNBHQB-MRXNPFEDSA-N	259.418	5.435	0	20	CKAD	
CC[C@H](SCc1sc(C)nc1C)c1ccc(F)cc1	437291065	UZKXIOLWJCCJSC-AWEZNQCLSA-N	295.448	5.284	0	20	CKAD	
CC[C@@H](Nc1ccc(CSC)cc1)c1ccc(F)cc1	610008573	NFWPQIOTHSLSAN-QGZVFWFLSA-N	289.419	5.252	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2cc3ccncc3s2)c1	658030527	DSMYYNCVDZLDFY-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](SCc1ccc(Cl)nc1)c1ccc(F)cc1	738426185	HBVLEBINKFLZOM-AWEZNQCLSA-N	295.810	5.259	0	20	CKAD	
CCCC[C@H](C)N(C)C(=S)Nc1cccc(C(C)C)c1	811720057	CKRMCSVMZNZSDI-AWEZNQCLSA-N	292.492	5.017	0	20	CKAD	
CC(C)c1ccc(N[C@H](c2cccnc2)C2CCC2)cc1	481648607	YZUYQIKXEVBVED-IBGZPJMESA-N	280.415	5.158	0	20	CKAD	
C[C@H](SCCc1ccccn1)c1cccc2ccccc12	516380986	SRRWAQARRJDPFF-HNNXBMFYSA-N	293.435	5.272	0	20	CKAD	
Cc1cccc(-c2ccc(-c3ccccc3)cc2C)c1	520788860	JYJCBXHDQIMHJE-UHFFFAOYSA-N	258.364	5.637	0	20	CKAD	
c1ccc2c(c1)CCC[C@@H]2SCc1nc2ccccc2o1	523225852	QQCITWDIRXBUIW-KRWDZBQOSA-N	295.407	5.139	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@@H](C)c2nccs2)cc1	527908307	KYHRTRXYTJBEAD-IHRRRGAJSA-N	288.460	5.068	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1sccc1C)C1CC1	532511332	YNAYFRBFGUIAGC-RHSMWYFYSA-N	285.456	5.167	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2cc3cc(C)ccc3o2)c(C)c1	606912031	VTWNNDHBEZXKIP-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1Cl	622293748	WIPBZLVEKOIJEB-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
C[C@H](Nc1ccc(C2CC2)cc1)c1nc2c(s1)CCCC2	679088770	CASQJHCCUQNQAI-LBPRGKRZSA-N	298.455	5.072	0	20	CKAD	
Cc1ccc(CNc2ccc3occc3c2)cc1Cl	864017490	NAZOVAYWVLEKCX-UHFFFAOYSA-N	271.747	5.007	0	20	CKAD	
CCCCCC[C@@H](C)NC(=O)c1occc1-c1ccccc1	881467766	YFFUDOBLYSMUAU-OAHLLOKOSA-N	299.414	5.035	0	20	CKAD	
Cc1cc(NCc2scnc2C2CC2)c2ccccc2c1	449414862	XUSJSXPGTXAQGO-UHFFFAOYSA-N	294.423	5.094	0	20	CKAD	
Cc1nc(CSCc2cccc(C(F)F)c2)sc1C	479586982	UCJFBCYNWOJFEE-UHFFFAOYSA-N	299.411	5.131	0	20	CKAD	
C[C@@H](Sc1ccc(O)cc1)c1ccc(F)c(Cl)c1	497687521	USFXPEVJRJTJMW-SECBINFHSA-N	282.767	5.038	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(C(C)C)c1)c1ccncc1	527861984	FKTFWGPTYVUBCV-KXBFYZLASA-N	282.431	5.007	0	20	CKAD	
CCC[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccccc1	527962388	DCYLHESGCFVLJM-UYAOXDASSA-N	294.442	5.054	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc(CC(F)(F)F)cc1	537451230	VUOVSRAXISNTQM-LLVKDONJSA-N	299.361	5.334	0	20	CKAD	
CCC[C@H](Nc1cccc2ccsc12)c1cccnc1	541766497	CESNMVRDIOOMKP-HNNXBMFYSA-N	282.412	5.250	0	20	CKAD	
CC[C@@H](N[C@H]1CSCc2ccccc21)c1ccc(C)cc1	37296059	PVVVWMMDONEVAM-MOPGFXCFSA-N	297.467	5.024	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccccc1	68691886	MXZHSGVFSIADOX-BBRMVZONSA-N	296.439	5.098	0	20	CKAD	
Cc1ccc(S[C@H](C)c2ncc(-c3ccccc3)o2)cc1	303691371	MFOPTGQYMSIHNF-CQSZACIVSA-N	295.407	5.503	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1ccsc1	382122994	ZFSZBHAXWGYBEQ-QWHCGFSZSA-N	265.447	5.002	0	20	CKAD	
CCSc1ccc([C@@H](C)NC2CCC(F)(F)CC2)cc1	540153321	DLYNNZBICHITKT-GFCCVEGCSA-N	299.430	5.027	0	20	CKAD	
Clc1ccc(CSc2cccs2)c2ncccc12	599113747	PZJXINRFCVDHSX-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
FC(F)Sc1cccc(N[C@H]2CCCc3occc32)c1	690210951	BYGGCYIRZVTRMJ-ZDUSSCGKSA-N	295.354	5.084	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cncs1)c1cccc2ccccc12	886790380	BHCRFKGDZDKVTP-SUMWQHHRSA-N	296.439	5.098	0	20	CKAD	
Cc1cc(C)cc(NC(=S)Nc2ccccc2C(C)C)c1	6963346	YZFMSVWPSVLZSD-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cc2Cl)s1	49160957	ZJARQSUUXPSEMQ-WDEREUQCSA-N	297.826	5.261	0	20	CKAD	
Fc1cc(Cl)cc(CNc2cccc(C(F)F)c2)c1	386223138	KGZBMUZLYZBMGH-UHFFFAOYSA-N	285.696	5.029	0	20	CKAD	
Cc1cncc([C@H](C)N[C@H](CC(C)C)c2ccccc2C)c1	467734229	QFLGOYCDSAHEBU-FXAWDEMLSA-N	296.458	5.136	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccs1)c1cc2cccc(F)c2o1	474098781	OGLAYUDCIGBAAY-QWRGUYRKSA-N	289.375	5.045	0	20	CKAD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1-c1cccs1	481323227	ORYIYZSKIPXDKG-RDTXWAMCSA-N	299.439	5.036	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cc(C)c(C)o1)c1ccccc1	502700408	VONCFSYICRVXCW-WMLDXEAASA-N	271.404	5.088	0	20	CKAD	
Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](c1cccs1)C1CC1	504917131	AVYVWXYWKIUULA-AZOIQLNYSA-N	297.467	5.346	0	20	CKAD	
Cc1cc(CNc2ccc(-c3ccccn3)cc2)c(C)s1	514764745	DPYLIEHISCMGRV-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2ccccc2Cl)cc1	525249017	OJUPOXNWTIDNKJ-ZDUSSCGKSA-N	289.806	5.050	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1ccco1)c1cccs1	539067181	BGCRPSRMTLMQPI-WBMJQRKESA-N	277.433	5.169	0	20	CKAD	
C[C@@H](SCc1cccnc1Cl)c1c(F)cccc1F	727054718	HFMLEVGWTQMXDO-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
C/C(=C/C(C)(C)C)C(=O)Nc1ccccc1-c1cccs1	772011595	WMPAUXVZAKFYCW-SEYXRHQNSA-N	299.439	5.346	0	20	CKAD	
Cc1cc(CN[C@H](c2ccccc2)C(C)(C)C)ccc1F	50545295	VBCHQCPNROLFNO-GOSISDBHSA-N	285.406	5.011	0	20	CKAD	
C[C@@H](NCCCCC(F)(F)F)c1ccc2ccccc2c1	127225045	OKJFQHJPVLIODO-CYBMUJFWSA-N	295.348	5.223	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccccc2)c2ccco2)cs1	381783500	RJRYHMGUYGLVFN-KDOFPFPSSA-N	297.423	5.090	0	20	CKAD	
CCC[C@H](N[C@@H]1CSc2ccccc21)c1ccsc1	443094589	CZOMXZPBCLDMBQ-LSDHHAIUSA-N	289.469	5.026	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC1(C)C	613876113	NJMZJALSMUUNFP-MRXNPFEDSA-N	287.447	5.137	0	20	CKAD	
CC(C)c1ccccc1OCc1cc(-c2cccs2)on1	670115950	PXVVSYNCJGWHCQ-UHFFFAOYSA-N	299.395	5.106	0	20	CKAD	
C/C(=C/C(=O)Nc1c(C)cccc1C(C)C)c1ccccc1	917530121	XMRQVJDCFSTGFN-SSZFMOIBSA-N	293.410	5.160	0	20	CKAD	
COc1ccc(N[C@@H](C)c2ccc3ccccc3c2)cc1	20551034	AKHXTFSFLLCYTJ-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1	35014360	YECZANTVFVASAC-ACJLOTCBSA-N	285.818	5.142	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(SC)cc1)c1cccs1	36994267	JTKXNXVKVSVOMG-SWLSCSKDSA-N	291.485	5.272	0	20	CKAD	
O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1cccs1	45016114	OAXDQWVXAHQEPQ-CLFYSBASSA-N	298.338	5.043	0	20	CKAD	
CC[C@H](NCc1ccc(C)c(F)c1)c1cccc(Cl)c1	110975165	HWGHAZTXPXAPPO-KRWDZBQOSA-N	291.797	5.028	0	20	CKAD	
C[C@@H]1C[C@@H](N[C@H]2CCSc3ccccc32)c2ccccc21	313887297	DCPADPKPZHJXMS-JEBQAFNWSA-N	295.451	5.062	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccsc1	394256749	HTSYTNXTPCKYHV-ABAIWWIYSA-N	279.836	5.203	0	20	CKAD	
CC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1cccs1	479496148	AHTMIZMYMVNSMP-JKSUJKDBSA-N	289.419	5.006	0	20	CKAD	
CC(C)(c1ccc(NCCCCCF)cc1)C(F)(F)F	561281454	QGCTXQVOXQVCBN-UHFFFAOYSA-N	291.332	5.078	0	20	CKAD	
CC[C@H](Nc1ccc2c(cnn2C(C)C)c1)c1cccs1	679148019	OHLPVKHRAXCMEB-HNNXBMFYSA-N	299.443	5.242	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1cscn1)c1ccccc1	697866221	PQCGHSZQYLMJLK-GOEBONIOSA-N	288.460	5.115	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)c(C)o1	37070938	INYZERLTGPQVFZ-STQMWFEESA-N	283.371	5.054	0	20	CKAD	
CC(C)C[C@@H](N[C@H](C)c1ccsc1)c1ccccc1	50341851	UJJYPNOYFJTYRB-RHSMWYFYSA-N	273.445	5.186	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccncc1	177368882	LMXXZWMHHGJXJY-FOIQADDNSA-N	290.410	5.037	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2csc(Cl)c2)c1	191475841	PUDOMSNVKISNJQ-WDEREUQCSA-N	295.835	5.282	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(-c3ccccc3)o2)c(C)o1	237427801	ALBCUNAVBPRICC-CQSZACIVSA-N	295.382	5.007	0	20	CKAD	
CCSc1cccc(N[C@H](c2cccnc2)C2CCC2)c1	481992112	OBJRBRNXDQTLGJ-SFHVURJKSA-N	298.455	5.147	0	20	CKAD	
CC(C)c1ccc(C(=O)N(c2ccc(F)cc2)C(C)C)cc1	505070919	PLCWZXAOSYTENE-UHFFFAOYSA-N	299.389	5.004	0	20	CKAD	
c1ccc(C(SC[C@@H]2CCCCO2)c2ccccc2)cc1	507795626	SRFOPYUICBJLAA-SFHVURJKSA-N	298.451	5.078	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1c1cccs1	522670307	JBFZEAUKLGWIJP-HUUCEWRRSA-N	293.476	5.018	0	20	CKAD	
CC[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccc(Cl)s1	536848137	XSLVEAZEQKAJGV-ZJUUUORDSA-N	293.810	5.020	0	20	CKAD	
CCCCN(C(=O)/C=C(/C)C1CC1)[C@H](CC)c1ccccc1	734102654	ILQNXVSZWZDKIN-OAXWQBPPSA-N	299.458	5.123	0	20	CKAD	
CCCc1ccc(N[C@@H](C)c2ccc(C(F)F)nc2)cc1	850448529	AXENXZFJCSCEQN-LBPRGKRZSA-N	290.357	5.145	0	20	CKAD	
Cc1nc([C@@H](C)Nc2cccc3ccccc23)c(C)s1	20086698	XYDBOOZKTWADQW-LLVKDONJSA-N	282.412	5.086	0	20	CKAD	
CC[C@H](NCc1cccc2[nH]ccc12)c1ccc(Cl)cc1	70938808	DFFCGJPYEKWYHN-KRWDZBQOSA-N	298.817	5.062	0	20	CKAD	
C[C@@H]1C[C@H](N[C@H](C)c2cc3ccccc3o2)c2ccccc21	319455002	KJXNSXZRXPKABF-LBTNJELSSA-N	291.394	5.332	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)CCCC1CCCC1	443821381	ISBZSWUEOGRBSY-UHFFFAOYSA-N	287.447	5.110	0	20	CKAD	
CC[C@@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1ccccc1	495531314	RWGNIGQJTHDGOP-LJQANCHMSA-N	292.426	5.026	0	20	CKAD	
Cc1cccc([C@H](N[C@H](C)c2cc(C)ccn2)C(C)(C)C)c1	519441308	OCPXWJPHPJDJAO-APWZRJJASA-N	296.458	5.136	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](c2ccccc2)C(C)C)c1	540834271	ZNTKBFOVNFDXEK-HNAYVOBHSA-N	283.415	5.203	0	20	CKAD	
C[C@H](SCc1cccc(Cl)n1)c1c(F)cccc1F	743248701	ODBLVFPCGMYDDF-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
Cc1ccccc1CN[C@H](C)c1csc2ccccc12	776171140	XZIRBEYDDMLHMQ-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CSc1cccc(NC(=O)c2ccccc2C(C)C)c1C	831697266	HWJJXEGORPRODT-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
C[C@@H](N[C@H]1CCc2ccccc21)c1cc2ccccc2s1	121975039	UFCAVLAJDNASFB-DYVFJYSZSA-N	293.435	5.239	0	20	CKAD	
CC(C)C[C@H](NCc1cccc2cc[nH]c12)c1ccccc1	236650023	GVVPXIOMPMPABJ-IBGZPJMESA-N	292.426	5.045	0	20	CKAD	
C[C@H](Nc1cccc(C(C)(F)F)c1)c1cc(F)ccc1F	435941857	LJSRKEBJEBFMGW-JTQLQIEISA-N	297.295	5.250	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(F)c1)c1ccc(Cl)s1	532222392	XKTJWOUZKVSTGW-ZWNOBZJWSA-N	297.826	5.343	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2ccc(C)cc2C)c1	537528224	CABIXCSMGULGSS-HZPDHXFCSA-N	283.415	5.184	0	20	CKAD	
Cc1ccccc1N[C@H](C)c1ccc(C(F)(F)F)cc1	21796418	CNUDYFAIPIKHHL-GFCCVEGCSA-N	279.305	5.187	0	20	CKAD	
C[C@H](Nc1ccc(SC(F)F)cc1)c1cccs1	36919542	FRMQNDUZJHMBKK-VIFPVBQESA-N	285.384	5.236	0	20	CKAD	
CC(F)(F)c1cccc(N[C@@H]2CCc3ccc(F)cc32)c1	435925548	YJALTPRKIHVMHB-MRXNPFEDSA-N	291.316	5.037	0	20	CKAD	
Cc1nc(C)c(CSCc2ccc(C(F)F)cc2)s1	460780913	IJJOVHFZKPVPTB-UHFFFAOYSA-N	299.411	5.131	0	20	CKAD	
CCC[C@@H](CC)S[C@H](C)c1nnc(-c2cccs2)o1	477037914	RNGWEDQYGYKYPB-GHMZBOCLSA-N	296.461	5.171	0	20	CKAD	
Cc1ccsc1CN[C@@H](C)c1ccc(-c2ccccc2)o1	481423614	NHCPLRTVBGYGMK-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
c1csc(SCc2csc(C3CCCC3)n2)c1	522685127	OUXZWRZMZJMJLG-UHFFFAOYSA-N	281.471	5.155	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)C1	540648778	DNMGZTLLWFMWMJ-GJZGRUSLSA-N	287.447	5.308	0	20	CKAD	
CC[C@H](C)Oc1cccc(N[C@@H](c2cccnc2)C(C)C)c1	559878722	SJBZYRIRDNLTNX-HNAYVOBHSA-N	298.430	5.068	0	20	CKAD	
Cc1cc(C)c(NC(=O)Nc2ccc(C3CC3)cc2)c(C)c1	678523930	LAAPTBYTUXNYLN-UHFFFAOYSA-N	294.398	5.133	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1)c1ccc(F)cc1Cl	37217380	LWSIXLBPKVWZLI-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccsc1	50342784	DCLWCDCRULHQGK-BLLLJJGKSA-N	291.435	5.325	0	20	CKAD	
Cc1ccc2ccccc2c1-c1cccc2ccccc12	100767518	YJFPWGKKKSWQKZ-UHFFFAOYSA-N	268.359	5.968	0	20	CKAD	
CC[C@H](Nc1cccc(SC)c1)c1ccsc1	382092024	DQWKRWJCXGCQMA-AWEZNQCLSA-N	263.431	5.033	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccccc1)c1ccc(F)cc1F	484524057	WOYQHGCUSIDTRB-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
CC(C)Sc1ccc(CN[C@@H](C)c2ccccc2)cc1	511167462	SZQLYSSHZAUPKE-HNNXBMFYSA-N	285.456	5.038	0	20	CKAD	
Cc1cccc(SCc2ncc(-c3ccc(F)cc3)o2)c1	520702428	KZQNQPPVCLWBDW-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccc(F)cc1	550996027	OOPRERLTRASYBE-ZIAGYGMSSA-N	283.390	5.115	0	20	CKAD	
C[C@H](SCc1ncc(C(C)(C)C)o1)c1cccs1	737403958	MUISOOPYAYOWQL-JTQLQIEISA-N	281.446	5.028	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccc(F)cc2F)c(C)s1	36952690	XSAQZUQOFUQLFV-QWRGUYRKSA-N	295.398	5.055	0	20	CKAD	
Cc1cscc1NC(=O)c1sccc1-c1ccccc1	151245828	ODJHPXCFDAVVCB-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1csc(Cl)c1	426021304	ZBCYPIVDTBSJJS-IUCAKERBSA-N	299.789	5.173	0	20	CKAD	
Cc1cccc(C)c1CNc1cccc(CC(F)(F)F)c1	462176096	MPRKFLOSVFRSGY-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
Cc1cc(C)c(NC(=O)[C@@H](C)CC2CCCCC2)c(C)c1	510180174	KKLCZTIOAHUHEJ-INIZCTEOSA-N	287.447	5.157	0	20	CKAD	
CCCCCC[C@H](C)C(=O)N1CCC[C@H]1c1ccsc1	741901370	FYACRHXHXZCOQN-HOCLYGCPSA-N	293.476	5.018	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(-c2cccs2)cc1	773120602	QBZLMNJKGUKMBZ-KBPBESRZSA-N	296.439	5.155	0	20	CKAD	
CC[C@H](N[C@H]1CCCc2occc21)c1ccc(Cl)cc1	21787777	XGMFSWWCIYOCEK-HOTGVXAUSA-N	289.806	5.051	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C1CC1)c1ccc(F)cc1	37075373	KXENGQWDSCXYGH-RBUKOAKNSA-N	283.390	5.018	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccccc2Cl)c1	37219122	VNANSCPSNRCGCP-KBPBESRZSA-N	273.807	5.060	0	20	CKAD	
C(/C=C\c1nc2ccccc2s1)=C/c1ccccc1	141516370	NOQJWWXFGZZLQT-QOKLVJOUSA-N	263.365	5.023	0	20	CKAD	
CC(C)c1ccc([C@@H](C)S[C@H](C)c2cnccn2)cc1	467298700	GAJIIIMAAISLJQ-ZIAGYGMSSA-N	286.444	5.155	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)C1CCC(F)(F)CC1	474047539	XFYNPTCQNGKWHV-JTQLQIEISA-N	289.316	5.250	0	20	CKAD	
C[C@H](CCC(F)(F)F)N[C@@H]1CCC[C@H](c2ccccc2)C1	488365728	JRDNJTJIPWBJES-VNQPRFMTSA-N	299.380	5.033	0	20	CKAD	
CC(C)[C@H](NCc1ccoc1)c1ccc(Cl)c(Cl)c1	539160936	IULDETWXFJXJHL-HNNXBMFYSA-N	298.213	5.073	0	20	CKAD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1ccc(F)cc1	732918540	MMYVNVVZQQVBPZ-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
CC(C)(C)/C=C\C(=O)Nc1ccc(-c2ccccc2)cc1F	733917693	RWFZMLUOPWWIFA-QXMHVHEDSA-N	297.373	5.034	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1cc(F)ccc1Cl	741919761	OKUPGVJHFQAPEW-LLVKDONJSA-N	285.790	5.024	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2C(F)(F)F)o1	36960021	XMYBKBRAUPNNOC-NWDGAFQWSA-N	297.320	5.019	0	20	CKAD	
Cc1c([C@H](N[C@@H](C)c2ccoc2)C(C)C)oc2ccccc12	531715140	PABYLQNMURITPA-KBXCAEBGSA-N	297.398	5.382	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H](C)c2ccc(Cl)cc2)o1	539951251	UHTAPVDMOVQFLK-MNOVXSKESA-N	281.808	5.192	0	20	CKAD	
Cc1ncsc1CSc1ccc(Cl)c(Cl)c1	563573944	UWOVQYHSFUNHPH-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
Cc1cccc([C@H](C)Nc2cccc(COC(C)C)c2)c1	608372974	GRKSGTRRYFQGRP-INIZCTEOSA-N	283.415	5.093	0	20	CKAD	
CSc1ccccc1[C@H](C)NCc1ccccc1C1CC1	685042521	BHXJMYCUJHORKX-AWEZNQCLSA-N	297.467	5.137	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)Nc1c(C)cccc1CC	744351331	YZDNEPWQLMCPDM-CQSZACIVSA-N	275.436	5.102	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(F)cc1F	20000650	GDADFBKJGBIWTL-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)c2ccco2)s1	41640199	KTROWGKVGHESGF-RDTXWAMCSA-N	297.423	5.090	0	20	CKAD	
FC(F)c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	386194899	CRFCJCFVXDHWFC-PWSUYJOCSA-N	293.279	5.157	0	20	CKAD	
CCCC[C@@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl	409981294	RZTDLYVIZXBCTB-SECBINFHSA-N	289.753	5.042	0	20	CKAD	
CCCCC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1	464364458	MKGZHHIDMJYHJW-INIZCTEOSA-N	295.426	5.063	0	20	CKAD	
CCc1cccc(C)c1NC(=O)c1ccc2sccc2c1	471089034	NUKZIGMSKWMQGB-UHFFFAOYSA-N	295.407	5.024	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@@H](C)c2csc(Cl)c2)c1C	477922740	RQVMAEDJIUCFBT-UWVGGRQHSA-N	297.855	5.051	0	20	CKAD	
Cc1ccc2oc(CN[C@@H](C)c3cccc(C)c3C)cc2c1	578403859	YDLASHNGYIABBN-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
CC(C)(C)[C@@H](NCc1cc2ccccc2[nH]1)c1ccccc1	683926997	FTPGDSPCFIMGIO-IBGZPJMESA-N	292.426	5.045	0	20	CKAD	
Cc1ccc2oc(S[C@H](C)c3cccs3)nc2c1	737422429	FMQPQCOYWDPUFA-SNVBAGLBSA-N	275.398	5.051	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc(F)ccc2F)c(C)s1	36921782	ISVBRUZLNHTXNJ-QWRGUYRKSA-N	295.398	5.055	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccccc1	36967338	UHZYQXWWVABJFJ-KDOFPFPSSA-N	287.834	5.388	0	20	CKAD	
Cc1cccc(NC(=O)Nc2ccc3ccccc3c2)c1C	244456828	ZEPYLEMWSICIQU-UHFFFAOYSA-N	290.366	5.101	0	20	CKAD	
COCc1ccc(N[C@H](C)c2cccc3ccccc23)cc1	319104150	XOPKOCCUKLVZDZ-OAHLLOKOSA-N	291.394	5.159	0	20	CKAD	
Clc1cccc2nc(-c3cccc4cccnc34)sc12	513857525	MXMRDUKARBRUPG-UHFFFAOYSA-N	296.782	5.165	0	20	CKAD	
CSc1cccc(NCc2ccccc2C(F)(F)F)c1	19993745	FJWAROWXNSYFJA-UHFFFAOYSA-N	297.345	5.039	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1cc2ccccc2o1	20552469	DHZJYNTZCXOWGJ-LSDHHAIUSA-N	279.383	5.153	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2cc(C)oc2C)cc1	36994484	ZWJUGCOYCVAXHI-CHWSQXEVSA-N	289.444	5.030	0	20	CKAD	
Clc1ccc(-c2cnc(CSC3CCCC3)o2)cc1	41391413	ZMBRXMOIWJSEGY-UHFFFAOYSA-N	293.819	5.171	0	20	CKAD	
CC[C@@H](NCc1ccc(F)c(C)c1)c1cccc(Cl)c1	50545140	DHLHHIVSLWIGGK-QGZVFWFLSA-N	291.797	5.028	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccc(C)cc1)c1ccsc1	382129473	OIYAVVOXGIHZBX-SJORKVTESA-N	273.445	5.249	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccsc1	482460534	QBJXTPGLDIKYII-YVEFUNNKSA-N	289.419	5.079	0	20	CKAD	
Cc1cnc([C@H](C)Sc2cc(Cl)ccc2Cl)o1	538896671	NYVJWVFOIVLYPS-QMMMGPOBSA-N	288.199	5.143	0	20	CKAD	
CC(C)=CCC[C@H](C)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	580835024	GIEJTCYJMFHJCD-SNRMKQJTSA-N	297.442	5.177	0	20	CKAD	
Cc1cc(C)c(NC(=O)/C=C\C2CCCCC2)c(Cl)c1	735421208	KYORRBNVKMGTDU-HJWRWDBZSA-N	291.822	5.032	0	20	CKAD	
CC(C)[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccccn1	766080345	DNDZNDHUOYKFCB-ZTNFWEORSA-N	294.442	5.007	0	20	CKAD	
Cc1ccc(C)c(NC(=S)Nc2ccc(C(C)C)cc2)c1	6965464	UNPWZPPIOQBWRW-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C(F)(F)F)cc2)o1	37413462	YIKNMYSRCLJXQT-RYUDHWBXSA-N	297.320	5.019	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cnc3ccsc3c2)cc1	68691375	YCSINZFKELVVCK-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
c1ccc([C@H](NCc2cc3ccccc3s2)C2CC2)cc1	236729382	NGUDSPSBKCEXHJ-IBGZPJMESA-N	293.435	5.142	0	20	CKAD	
CCC(CC)S[C@@H](C)C(=O)Nc1ccccc1C(C)C	521344974	MWXQCZOOQIADOZ-ZDUSSCGKSA-N	293.476	5.059	0	20	CKAD	
CCCc1c(CC)nc2ccc(C(F)(F)F)cc2c1CC	536952412	CTGXGYYJMLEMNJ-UHFFFAOYSA-N	295.348	5.331	0	20	CKAD	
CCCC[C@H](C)N(C)C(=O)Nc1ccccc1C(C)(C)C	579294651	VFNWEJBCXJRXCS-AWEZNQCLSA-N	290.451	5.027	0	20	CKAD	
CC[C@@H](N[C@H](CC1CC1)c1ccccc1)c1cccs1	679046449	HRZOQEWWOVGGRX-IAGOWNOFSA-N	285.456	5.330	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	748196076	YTLKYSMSYXNENS-ICDLMJIXSA-N	291.460	5.180	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)c(C)o1	386768595	HEPVJUFLSYCEJA-KBPBESRZSA-N	297.398	5.363	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCCC2	474213162	PIBHZVBQAJNGCY-KRWDZBQOSA-N	299.458	5.452	0	20	CKAD	
c1ccc(-c2ccc(SCc3cccnc3)cc2)cc1	515489098	DYBOLTZRKRGIKH-UHFFFAOYSA-N	277.392	5.041	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H]2C[C@H](C)c3ccccc32)cc1	571480120	YWOHGYDZINUVHI-KSMMKXTCSA-N	297.467	5.308	0	20	CKAD	
Cc1cccc(NC(=O)[C@H](CC(C)C)c2ccccc2)c1C	607058839	ZFWXPIDBFYMUIR-GOSISDBHSA-N	295.426	5.072	0	20	CKAD	
Clc1ccc2c(n1)CC[C@@H]2Nc1ccc(C2CCC2)cc1	806163924	WWELSOIZAMOKNL-INIZCTEOSA-N	298.817	5.102	0	20	CKAD	
c1ccc(C(SCOC2CCC2)c2ccccc2)cc1	808011674	ULFQAPPGPBYSMB-UHFFFAOYSA-N	284.424	5.036	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1	858578031	XAEBTQCDADXREG-IHRRRGAJSA-N	288.460	5.068	0	20	CKAD	
Cc1cc(C)c(-c2nc(-c3ccncc3)sc2C)cc1C	23623441	DAPXDLWQAOWWGN-UHFFFAOYSA-N	294.423	5.106	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C1[C@H]2CCCC[C@H]12	191534896	JLVJMUTWBMCILH-IRXDYDNUSA-N	299.458	5.137	0	20	CKAD	
Cc1c([C@H](C)N[C@H]2CCc3ccccc32)oc2ccccc12	315096521	BOTXIZLNMBYXMF-KSSFIOAISA-N	291.394	5.079	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)CC2(C)CC2)cc1	428811928	WZUXHMXUONHKNE-SFHVURJKSA-N	299.458	5.054	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1cc2cccc(F)c2o1	474098158	MVFLIBFATWDZDH-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
Cc1ccc(C)c(CN[C@H](C)c2cc3ccccc3s2)c1	501354974	BHUAZZILJLMHKF-OAHLLOKOSA-N	295.451	5.369	0	20	CKAD	
CC(C(=O)Nc1ccccc1-c1ccccc1)=C1CCCC1	753580339	UILRLGOWFZSZJP-UHFFFAOYSA-N	291.394	5.183	0	20	CKAD	
CC(C)c1ccc([C@@H](C)N[C@H](c2ccccn2)C(C)C)cc1	766083566	XZJSSKQNLOGOOF-UZLBHIALSA-N	296.458	5.253	0	20	CKAD	
C[C@H](CCC(F)(F)F)Nc1ccccc1NC(C)(C)C	798935361	PCYNDOWWECHUOB-LLVKDONJSA-N	288.357	5.040	0	20	CKAD	
C[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1	20542262	UCYIHJQWJSWWEQ-KRWDZBQOSA-N	287.406	5.127	0	20	CKAD	
c1ccc(CCCSC2=Nc3ccccc3CS2)cc1	58235760	DEOGXIXYKHLBDF-UHFFFAOYSA-N	299.464	5.287	0	20	CKAD	
FC(F)(F)c1cccc(-c2csc(-c3ccoc3)n2)c1	78527069	XUCIVVFXWPBHHJ-UHFFFAOYSA-N	295.285	5.089	0	20	CKAD	
c1cnc2ccc(CNc3cccc4ccsc34)cc2c1	386265133	XAHKFDMQBWHHKS-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1ccc(C)c(CN[C@H](C)c2oc3ccccc3c2C)c1	513098193	CHVLLLOTVDVPAH-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2cccc(C3CC3)c2)c1	556159419	GXICOFBRYFGQBJ-HUUCEWRRSA-N	295.426	5.445	0	20	CKAD	
Cc1ccc(C2CC2)c(C(=O)Nc2cccc(Cl)c2C)c1	622274031	QLJIJXRHQCHQCD-UHFFFAOYSA-N	299.801	5.087	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](CC2CC2)c2ccccc2)s1	679046481	IVHPJSTYNGRRFX-YOEHRIQHSA-N	285.456	5.249	0	20	CKAD	
Cc1ccc2cc([C@@H](C)NC3(c4ccccc4)CC3)oc2c1	426027586	BLVAHYBDTYBAQG-OAHLLOKOSA-N	291.394	5.081	0	20	CKAD	
CCC(C)(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C	465080792	QIRXGMVXJWPPBB-UHFFFAOYSA-N	289.463	5.698	0	20	CKAD	
Cc1cncc([C@H](C)N[C@H](c2cccc(C)c2)C(C)(C)C)c1	467742150	UVEWJIBZOCUCGD-QFBILLFUSA-N	296.458	5.136	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)oc1C	502426356	FVJCXDWAQPWLOF-OLZOCXBDSA-N	283.371	5.054	0	20	CKAD	
CC[C@@H](NCc1ccc(F)c(C)c1)c1ccc(Cl)s1	512217779	ICDLTDCTNMCQDF-CYBMUJFWSA-N	297.826	5.090	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cc(C)sc1C	536831348	HCRFLTHQISDMTH-UGSOOPFHSA-N	285.456	5.011	0	20	CKAD	
CC[C@H](Nc1cccc(CC(F)(F)F)c1)c1cccs1	537535379	CVNRNDUQMOHBND-ZDUSSCGKSA-N	299.361	5.416	0	20	CKAD	
CSc1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)cc1	559740607	MJTUERMEOURUIZ-AWEZNQCLSA-N	297.467	5.137	0	20	CKAD	
FC(F)(F)c1cscc1CNc1ccsc1Cl	569630998	YENOVXZOXHMIDY-UHFFFAOYSA-N	297.754	5.094	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccccc1	43313632	PBELKAHCKBWEQP-HNNXBMFYSA-N	296.414	5.001	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(Cl)c1)c1cccc(F)c1F	231635069	WNIPKNUHRVWTRV-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
CC(C)c1ccc([C@@H](N[C@@H](C)c2ccncc2)C(C)C)cc1	507647424	ASCUJZHPSDOKFB-JXFKEZNVSA-N	296.458	5.253	0	20	CKAD	
CC(C)CSc1nnc(-c2ccccc2)c2ccccc12	514591240	AKUKEORSYKRATH-UHFFFAOYSA-N	294.423	5.045	0	20	CKAD	
C[C@H](SCCCCCF)c1ncc(-c2ccccc2)o1	580224519	PZOCXTWGERZNAD-ZDUSSCGKSA-N	293.407	5.276	0	20	CKAD	
CC[C@H](C)Oc1ccc(N[C@@H](C)c2ccc(C)nc2C)cc1	776867958	FOKMCCUCQUDRET-HOCLYGCPSA-N	298.430	5.049	0	20	CKAD	
Cl/C(=C\c1cc(Cl)cs1)c1nc2ccccc2o1	782311133	AUKCEXNPUIFFTB-POHAHGRESA-N	296.178	5.280	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C(C)C)c1cccs1	36967232	YTLRAKWTYUESKO-WBVHZDCISA-N	273.445	5.186	0	20	CKAD	
Cc1c(Br)cccc1SCc1ccccc1	97758549	KSGXBGGMDILHQU-UHFFFAOYSA-N	293.229	5.050	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C	255948541	OFGYXUVAZKRCEP-CQSZACIVSA-N	275.436	5.308	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1(CCF)CC1	291107054	SDGIBWASERXNAB-UHFFFAOYSA-N	291.410	5.012	0	20	CKAD	
CC[C@H](N[C@H]1C[C@@H](C)c2ccccc21)c1cccs1	311420498	KNYKACCRYDWRED-KCXAZCMYSA-N	271.429	5.037	0	20	CKAD	
CC[C@H](NCc1ccc(OC(C)C)cc1)c1ccc(C)cc1	315192921	LCQOSHQDCJLJLY-FQEVSTJZSA-N	297.442	5.023	0	20	CKAD	
CC[C@H](Nc1cccc(Br)c1)c1ccsc1	382100408	IZAZCIUELAGPMC-ZDUSSCGKSA-N	296.233	5.074	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)oc1C	502707949	OOEAIYGBWSXJJJ-AUUYWEPGSA-N	283.415	5.088	0	20	CKAD	
CCCCCN(C(=O)Nc1cccc(Cl)c1C)C(C)C	508105612	UCHGOKAOSZGWGB-UHFFFAOYSA-N	296.842	5.081	0	20	CKAD	
Cc1cccc([C@H](N[C@H](C)c2cnccc2C)C(C)(C)C)c1	536774300	WGZIHUBRQSSDEI-APWZRJJASA-N	296.458	5.136	0	20	CKAD	
C[C@@H](Sc1c(Cl)cccc1Cl)c1cccnc1	618426456	PCUBFUZMSSDVHK-SECBINFHSA-N	284.211	5.242	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1ccnc(Cl)c1	834881570	UIFHISJUQOAHCC-SNVBAGLBSA-N	296.748	5.020	0	20	CKAD	
C[C@H](NCc1cc2ccccc2o1)c1cc2ccccc2o1	26313405	ZBCCHFYTBLRHPM-ZDUSSCGKSA-N	291.350	5.030	0	20	CKAD	
CC[C@@H](Nc1cccc(COC)c1)c1ccc(Cl)cc1	36918240	KPNUQDPPJPIOIO-QGZVFWFLSA-N	289.806	5.050	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2cccc(F)c2)cc1Cl	37773308	DXHXCBUBNIDLLQ-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
CC[C@@H](NCc1cccc2ccccc12)c1cccs1	48416855	UGGLJMCHLHJVMH-QGZVFWFLSA-N	281.424	5.142	0	20	CKAD	
Cc1cc(C2=C(c3cc(C)sc3C)CCC2)c(C)s1	60280069	BSJQLYWEGJKBGA-UHFFFAOYSA-N	288.481	6.138	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2cccc(Cl)c2Cl)cc1	165149673	MYSXUCHVAMIRNA-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H]1CCc2ccc(C)cc21	442864506	RRYOUTDKSXFCRR-KBXCAEBGSA-N	297.467	5.055	0	20	CKAD	
CCC(CC)[C@H](NCc1ccc(F)cc1)c1cccs1	521827454	JRJVRMRPYXXJKA-KRWDZBQOSA-N	291.435	5.154	0	20	CKAD	
CCCCC[C@H](CC)C(=O)Nc1c(F)cccc1Cl	753474363	YGNXGDQWDZEMKB-NSHDSACASA-N	285.790	5.024	0	20	CKAD	
CC(C)c1ccccc1NCc1ccccc1OC(F)F	21514007	NIEIQOWDPADMQW-UHFFFAOYSA-N	291.341	5.024	0	20	CKAD	
CC[C@H](NCc1ccccc1C(F)(F)F)c1cccs1	48416874	FJFDGZCWYXAKLW-ZDUSSCGKSA-N	299.361	5.008	0	20	CKAD	
Cc1cc([C@H](C)N[C@H]2CCCc3sccc32)c(C)s1	61327614	QNCLSLGUQKGJGJ-NHYWBVRUSA-N	291.485	5.155	0	20	CKAD	
C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1	113122429	BGGDZDRRHQTSPV-UHFFFAOYSA-N	271.363	5.799	0	20	CKAD	
CCC[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccsc1	443088082	LYJYUAZLJVNZIQ-MSOLQXFVSA-N	285.456	5.330	0	20	CKAD	
Cc1cc(CN[C@@H](CC(C)C)c2cccs2)ccc1F	520205146	ZSPWSZWMMLEQCA-INIZCTEOSA-N	291.435	5.073	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H]2C[C@@H](C)c3ccccc32)cc1	571480122	YWOHGYDZINUVHI-PJIJBLCYSA-N	297.467	5.308	0	20	CKAD	
CC(C)c1nc([C@H](C)Nc2ccc(C3CC3)cc2)cs1	681108859	NBIYGPUQQOKYQF-LBPRGKRZSA-N	286.444	5.317	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccccc1	19878402	NGSBENZSHFLIAH-CHWSQXEVSA-N	293.332	5.117	0	20	CKAD	
C[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1	20542260	UCYIHJQWJSWWEQ-QGZVFWFLSA-N	287.406	5.127	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccsc1	61360667	CRQWMOJNOMGBRU-QWRGUYRKSA-N	299.361	5.179	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1nccs1)c1ccccc1	80267690	VDXNVXGWXCWXHL-GDBMZVCRSA-N	288.460	5.115	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccccc2Cl)cs1	381519296	WYPJTYOBCGUXOE-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(Cl)s1	498484690	OTLUGJRSOCLQRW-RISCZKNCSA-N	291.847	5.048	0	20	CKAD	
CC[C@H](N[C@H](c1cccs1)C1CC1)c1cccc(C)c1	514082800	IRZZJCKAWXXGHA-WMZOPIPTSA-N	285.456	5.249	0	20	CKAD	
C[C@H](NC1CCC(F)(F)CC1)c1ccc2ccccc2c1	516497513	RLQRKZMYLQUEOY-ZDUSSCGKSA-N	289.369	5.068	0	20	CKAD	
CCCC[C@@H](CCC)Sc1nnc(-c2cccs2)o1	521624052	SQNGNQIUKLSQSQ-LLVKDONJSA-N	296.461	5.249	0	20	CKAD	
C[C@@H](Nc1ccc(Oc2cccnc2)cc1)c1ccccc1	566879082	AFRDRTDSDNNPDV-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
C[C@H](S[C@H](C)c1ccccc1Cl)c1cccnc1	570937664	PZZOAHRYHKSUCL-NWDGAFQWSA-N	277.820	5.290	0	20	CKAD	
Cc1cccc(-c2cccc(CNCc3ccsc3)c2)c1	588687318	MILJSRHMNDPCHS-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1cccc(Nc2ccccc2)c1	733958009	SPALHISHROEIIL-SQFISAMPSA-N	294.398	5.115	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)/C=C\C1CCCCC1	735421572	KFHMSWUWWVTBOG-SEYXRHQNSA-N	285.431	5.193	0	20	CKAD	
CC[C@H](NCc1ccc(CF)cc1)c1ccc(Cl)cc1	777723402	IBVVSOGOYAULOT-KRWDZBQOSA-N	291.797	5.050	0	20	CKAD	
CC[C@@H](N[C@H](C)c1csc2ccccc12)c1ccncc1	834571942	YBCJLWYUFUIDLA-CXAGYDPISA-N	296.439	5.098	0	20	CKAD	
Cc1c([C@@H](C)NCc2cccc(Cl)c2)oc2ccccc12	48326989	JMAVNEPQACBQCH-CYBMUJFWSA-N	299.801	5.245	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sccc21)c1csc(Cl)c1	191504972	BXVJMJRXSJNXCU-CABZTGNLSA-N	297.876	5.191	0	20	CKAD	
C[C@@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1F	435931708	YZOMPAPECRCYTR-SNVBAGLBSA-N	297.295	5.250	0	20	CKAD	
Fc1ccc(Cl)cc1SCc1nc(C2CC2)cs1	506393530	FEXDWXLMGWQKED-UHFFFAOYSA-N	299.823	5.105	0	20	CKAD	
CC[C@@H](N[C@H](C)c1sccc1C)c1cc(F)ccc1F	539081241	IEDMDLSIKKHMNY-IAQYHMDHSA-N	295.398	5.137	0	20	CKAD	
Fc1ccc(SCc2nc(C3CC3)cs2)cc1Cl	542225053	XCVYYXYNWOEYSM-UHFFFAOYSA-N	299.823	5.105	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccoc1)c1ccc(Cl)cc1F	543799724	UOXLFIOEFDECKD-BDJLRTHQSA-N	295.785	5.120	0	20	CKAD	
Cc1oc(-c2ccccc2)nc1CSCc1ccccc1	590612702	IDYLMRVDMSXGFZ-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CCCC[C@H](CC)CC(=O)Nc1cccc(C(F)F)c1	604942409	PGSVFEGQLWKISQ-LBPRGKRZSA-N	283.362	5.169	0	20	CKAD	
CC(C)c1nc(CSc2ccc(Cl)cc2)cs1	642358232	QSMZQJDBCPMAAX-UHFFFAOYSA-N	283.849	5.212	0	20	CKAD	
CCCCC[C@H](C)CC(=O)Nc1c(C)cc(C)cc1C	744348850	JSBKXSHXQJQYJE-ZDUSSCGKSA-N	275.436	5.157	0	20	CKAD	
C[C@@H]1CSC(S[C@H](C)c2cccc3ccccc23)=N1	766298900	NPFDYURZQFRHGC-VXGBXAGGSA-N	287.453	5.125	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2cccc(Cl)c2Cl)c(C)o1	767369752	GBHFMVMFVCVWGW-JTQLQIEISA-N	298.213	5.054	0	20	CKAD	
C[C@H]1C[C@H]1c1ccc(CNc2ccccc2NC(C)(C)C)o1	798500405	NSEBFHCVLWDQGR-DZGCQCFKSA-N	298.430	5.226	0	20	CKAD	
O=C(C=C1CCCCC1)N1CCCCC[C@H]1c1ccccc1	919849508	HIUBKFPWNXHDLE-IBGZPJMESA-N	297.442	5.021	0	20	CKAD	
Cc1ccc(C)c(N[C@@H](C)c2cnc3ccsc3c2)c1	68690479	WUXGCYXRMWTTDY-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
Cc1noc(C)c1CSCc1ccc(C(C)(C)C)cc1	507832032	WNMYTWYQAZRYNJ-UHFFFAOYSA-N	289.444	5.022	0	20	CKAD	
Cc1ccsc1[C@@H](C)NC1(c2cccc(Cl)c2)CC1	538554419	UHYNFKIWBMOMKF-GFCCVEGCSA-N	291.847	5.050	0	20	CKAD	
CC[C@H](CSCCCCC(F)(F)F)CC(F)F	596349838	LJZDTEPOZNXRSO-VIFPVBQESA-N	278.330	5.134	0	20	CKAD	
c1csc(SCc2csc(-c3ccsc3)n2)c1	604931518	RSEMGXXCOFRUSO-UHFFFAOYSA-N	295.479	5.225	0	20	CKAD	
Clc1ccc(CC2CCCCC2)cc1Br	694962632	AYJQVVMPCRFDHX-UHFFFAOYSA-N	287.628	5.225	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccncc1)c1cccc2ccccc12	886790631	ILHAQALNRUPGFF-YWZLYKJASA-N	290.410	5.037	0	20	CKAD	
CC/C=C(/C)C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1	921164093	JGQKXFOLXHABDX-MZLJFPOFSA-N	299.414	5.089	0	20	CKAD	
Cc1ccccc1N[C@H](C)c1ccc(OC(F)(F)F)cc1	19987398	NFKXUFOTHLNHEU-GFCCVEGCSA-N	295.304	5.067	0	20	CKAD	
Cc1c([C@H](C)NCc2cccc(Cl)c2)oc2ccccc12	48326990	JMAVNEPQACBQCH-ZDUSSCGKSA-N	299.801	5.245	0	20	CKAD	
CC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1	50198278	NFMACHQXPZBJGG-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
CC[C@H](NCc1c(C)oc2ccccc12)c1cccs1	123285407	OZZVKKAJUMSQDF-HNNXBMFYSA-N	285.412	5.044	0	20	CKAD	
CCCCN(C(=O)/C=C(/C)CCC)[C@H](C)c1ccccc1	920217770	BSAAIMNXHUNEQW-FUYCXPICSA-N	287.447	5.123	0	20	CKAD	
Clc1cccc(CNc2ccc3ccccc3c2)c1	35141316	QCZPQQDPUNWJNQ-UHFFFAOYSA-N	267.759	5.105	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1C	409868294	VKFJAYJVGCZHIC-HUUCEWRRSA-N	285.456	5.129	0	20	CKAD	
CC[C@H](S[C@H](C)c1nc(C(C)C)no1)c1ccccc1	466980964	LYWKDNHEDSAQBV-OCCSQVGLSA-N	290.432	5.139	0	20	CKAD	
CCCCC(=O)Nc1ccc(S[C@H](C)CC)cc1C	499725020	KVYFCPWJLSBLRS-CYBMUJFWSA-N	279.449	5.014	0	20	CKAD	
CC(=O)c1c(C)cc(C)c(CSc2cccs2)c1C	521908153	XVHSAZJNHAKMBV-UHFFFAOYSA-N	290.453	5.168	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1ncc(C)o1)c1ccc(F)cc1F	538849818	VDWUFSXILAPFPA-IINYFYTJSA-N	297.370	5.207	0	20	CKAD	
CC1=CC[C@H](Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1	556251763	AVYLUXMBSYAJOB-INIZCTEOSA-N	294.398	5.130	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccsc1	669851245	YTFBCOIRETWTGW-BDJLRTHQSA-N	291.847	5.130	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1c1ccsc1	742544100	YXJLASWVTSPNDV-ZBFHGGJFSA-N	293.476	5.018	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2csc3ccccc23)c1	743475767	VQXHVUQOPCUXNF-CABCVRRESA-N	295.451	5.622	0	20	CKAD	
Cc1sccc1CN[C@@H](C)c1csc2ccccc12	815123689	LQMLCNNERSOKKX-NSHDSACASA-N	287.453	5.122	0	20	CKAD	
Cc1ccc(NCc2cc(Cl)cc3cccnc23)c(C)c1	863996348	XOMACRJTYUTHER-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
C[C@@H](Nc1cccc(-c2nccs2)c1)c1cccs1	37778300	ZNRYBUHIJYFDSM-LLVKDONJSA-N	286.425	5.045	0	20	CKAD	
Cc1ccc(C)c(NC(=O)C[C@@H](c2ccccc2)C(C)C)c1	96650638	RWOWFAQTWPYGHR-GOSISDBHSA-N	295.426	5.072	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1ccccc1C	409868295	VKFJAYJVGCZHIC-LSDHHAIUSA-N	285.456	5.129	0	20	CKAD	
CC[C@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1	453184025	IZZCNCYPZBBTOQ-LRDDRELGSA-N	275.417	5.019	0	20	CKAD	
CC[C@H](c1ccccc1)[S@](=O)c1ccc(C(C)C)cc1	463680157	DDBDWZYXSFRKCX-UYAOXDASSA-N	286.440	5.069	0	20	CKAD	
Cc1oc(-c2ccsc2)nc1CSCCCCCF	559954124	DVWJERVQJLRSGK-UHFFFAOYSA-N	299.436	5.085	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)C(C)=C(C)C)c(C)c1	751200168	NEQCRXYUTCEXDD-CYBMUJFWSA-N	291.460	5.180	0	20	CKAD	
CC(C)c1nc([C@H](C)Nc2ccc3ccccc3c2)cs1	769415837	XGWHVSLBGYTLLL-ZDUSSCGKSA-N	296.439	5.593	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)c(C)s1	775634228	PSQKTSISOWHFPZ-STQMWFEESA-N	298.455	5.258	0	20	CKAD	
CCc1ccc([C@H](C)Nc2ccc(N3CCCCC3)cc2)o1	776796665	SKMVOOZQSBZFTE-HNNXBMFYSA-N	298.430	5.005	0	20	CKAD	
CCC(F)(F)c1ccccc1N[C@@H](C)c1nc(C)cs1	866614701	LWXFSQQYWKXPLA-NSHDSACASA-N	296.386	5.126	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(SC)cc1)c1ccccc1	36994434	NPNFXTXHRZGOMS-KDOFPFPSSA-N	285.456	5.210	0	20	CKAD	
CC[C@@H](N[C@H](C)c1nc2ccccc2s1)c1ccccc1	51626348	KLFRPJLZHFQPFD-UKRRQHHQSA-N	296.439	5.098	0	20	CKAD	
CSc1cccc(N[C@@H](CC(C)C)c2ccccn2)c1	182685181	QGNDMOIENGBOAL-KRWDZBQOSA-N	286.444	5.003	0	20	CKAD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1nccs1	182759596	CNXGVCIVADJFKV-LLVKDONJSA-N	286.425	5.045	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2csc(C)c2)cc1Cl	381458323	IJXYHDHTCLKZPX-NSHDSACASA-N	295.835	5.282	0	20	CKAD	
CCCCCN(C(=O)Nc1ccccc1CCC)C(C)C	437668953	NUKZSIHUZLNSSA-UHFFFAOYSA-N	290.451	5.072	0	20	CKAD	
C[C@@H](c1cc2ccccc2o1)N(C)CCCCC(F)(F)F	443673912	LAXLNMCSCFCHSL-LBPRGKRZSA-N	299.336	5.158	0	20	CKAD	
CCc1ccc(N[C@@H](C)c2csc(C(C)C)n2)cc1	469795990	HQNRQFNIWIEOFA-LBPRGKRZSA-N	274.433	5.002	0	20	CKAD	
COc1ccccc1S[C@H](C)c1ccc(Cl)cc1	520695569	XAEYANRIMHFKEM-LLVKDONJSA-N	278.804	5.202	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(COC(C)C)cc2)s1	539629922	OEYAZQPDEBFWOH-AWEZNQCLSA-N	289.444	5.155	0	20	CKAD	
COc1cc(CSc2ccccc2C)ccc1SC	597505226	OPKKNAYYONFMAR-UHFFFAOYSA-N	290.453	5.018	0	20	CKAD	
C[C@H](Nc1cccc(C(C)(F)F)c1)c1c(F)cccc1F	435931619	XXNNUPDZUIYHQN-JTQLQIEISA-N	297.295	5.250	0	20	CKAD	
Cc1cccc([C@@H]2CCCN2C(=O)CCCC2CCCC2)c1	463194735	ZKYKYYHAYRWCEQ-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CSc1ccc(C)c(N[C@H](C)CCCC(F)(F)F)c1	480294812	PUIJRSCNUITYGY-LLVKDONJSA-N	291.382	5.250	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](c1ccccc1)C1CCC1	482441671	ULYAEOUBCDMNQM-PBHICJAKSA-N	285.456	5.249	0	20	CKAD	
C[C@H](Nc1cccc(COC2CCCCC2)c1)c1ccoc1	538590344	IZEJJGXKIVVSSZ-HNNXBMFYSA-N	299.414	5.302	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2cc(C)sc2C)cc1	540753867	UKYYOPUEGJDGDU-ZDUSSCGKSA-N	289.444	5.075	0	20	CKAD	
C[C@H](SCc1cccc(C(F)F)c1)c1cccnc1	574432386	SCVSODYLOVFRHM-NSHDSACASA-N	279.355	5.014	0	20	CKAD	
C[C@H](c1cccc(-c2ccc(C(F)F)nc2)c1)C(F)F	906197490	NLJJEVBJGBUXPC-SECBINFHSA-N	283.268	5.055	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1ccccc1Cl	51100027	MZSYPLUQAJVCNS-BZNIZROVSA-N	291.847	5.203	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1cccc(C)c1	311738742	XJHYYWRNVQQMGM-GOEBONIOSA-N	273.445	5.167	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1F)c1c(F)cccc1Cl	381444807	XEZLSTSAYNXCJX-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
CCCc1ccccc1NC(=O)[C@H](c1ccccc1)C(C)C	443879328	SAYWVKZTCKCBIE-IBGZPJMESA-N	295.426	5.017	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1ccsc1	453301802	XUTISPRBBGFELO-SNVBAGLBSA-N	267.344	5.033	0	20	CKAD	
CCCc1ccccc1NC(=O)c1ccc(C(C)C)cc1	497476404	JWXDYQMLPSPEDS-UHFFFAOYSA-N	281.399	5.015	0	20	CKAD	
Cc1ccccc1SCc1csc(C(C)(C)C)n1	497564414	NQKWHEKOEAHUSV-UHFFFAOYSA-N	277.458	5.041	0	20	CKAD	
c1csc([C@H](NCc2csc3ccccc23)C2CC2)c1	521822734	JWIPQHLSIBKEOQ-QGZVFWFLSA-N	299.464	5.204	0	20	CKAD	
C[C@@H](N[C@H]1CSc2ccccc21)c1cccc(C2CC2)c1	556094374	SQUZHXXCFKTXKD-ACJLOTCBSA-N	295.451	5.062	0	20	CKAD	
COc1ccc(N[C@@H](C)c2ccccc2F)c2ccccc12	864020573	JRBYWTVRBLOPJT-ZDUSSCGKSA-N	295.357	5.161	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccccc1	37070913	XGRSFMWSVSBEHX-PBHICJAKSA-N	279.383	5.235	0	20	CKAD	
c1ccc2c(CN[C@@H]3CCCc4sccc43)csc2c1	61360247	ZKERQMBUIAZVOL-OAHLLOKOSA-N	299.464	5.130	0	20	CKAD	
CCC[C@@H](NCc1coc2ccccc12)c1ccsc1	340428164	RTHRPZAYRURTNZ-MRXNPFEDSA-N	285.412	5.125	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1ccc(C2CC2)cc1	417351860	DQCMLBYWOMOQNO-QWHCGFSZSA-N	271.429	5.037	0	20	CKAD	
CC[C@H](SCc1cccc(NC(C)=O)c1)c1ccccc1	507732285	PDQGHKMBPYCQHM-SFHVURJKSA-N	299.439	5.030	0	20	CKAD	
CCCN(C(=O)Nc1ccccc1)[C@@H](CC)c1ccccc1	519888196	FOUGOTGUYSQYBZ-SFHVURJKSA-N	296.414	5.082	0	20	CKAD	
c1ccc2c(NCc3ccc4cnccc4c3)csc2c1	683774686	IEUUXXIHNMETIU-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc(SC(F)F)c2)o1	709700785	SDKSRLVPOPUGGP-SNVBAGLBSA-N	283.343	5.076	0	20	CKAD	
CC(C)c1cnc(CS[C@@H]2CCCc3ccccc32)o1	733208412	YZHJFSPFJQPLID-MRXNPFEDSA-N	287.428	5.109	0	20	CKAD	
Cc1ccc(-c2ccc(C)c(NC3CC(C(F)F)C3)c2)o1	793312269	NEFIPAZVCGPOOT-UHFFFAOYSA-N	291.341	5.019	0	20	CKAD	
COc1ccc2cc(N[C@@H](C)c3cccs3)ccc2c1	797021775	MMKPMSPAAQTHMG-LBPRGKRZSA-N	283.396	5.083	0	20	CKAD	
CC[C@H](N[C@H](C)c1cnc2ccsc2c1)c1ccccc1	68691891	MXZHSGVFSIADOX-CJNGLKHVSA-N	296.439	5.098	0	20	CKAD	
CSc1cccc(C)c1NC(=O)c1ccc(C(C)C)cc1	472234600	WANHVBLCPUKOCT-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
CC(C)c1cc(S[C@H](C)c2ccc(Cl)cc2)ncn1	495494693	GBMLTPCVMDSMFW-LLVKDONJSA-N	292.835	5.107	0	20	CKAD	
CC(C)c1ccc(SCc2ncc(C(C)(C)C)o2)cc1	642141072	MDALDAWGWDVKBT-UHFFFAOYSA-N	289.444	5.388	0	20	CKAD	
Clc1nc2ccccc2cc1CSc1cccs1	37758404	BXKYCBJNASUNOT-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
C[C@@H](Nc1ccc(SC(C)(C)C)cc1)c1nccs1	183111509	ANGBBGIOHCKTGS-LLVKDONJSA-N	292.473	5.207	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)c1ccc(C(C)C)s1	186078961	YIDZGOFPXRWELW-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
CCC[C@H](N[C@@H]1CC[C@H](C)c2ccccc21)c1ccccn1	358231324	SICVDLBPMUPBBB-CVAIRZPRSA-N	294.442	5.151	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccc(Cl)cn2)cc1	480182846	QGCKVRJNDRYPNO-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
CCCC[C@@H](NCc1ccccc1C)c1ccc(OC)cc1	488499757	XZSKGZBNMOZNCY-HXUWFJFHSA-N	297.442	5.025	0	20	CKAD	
C[C@@H](NCc1ccc(Cl)s1)c1cccc(C2CC2)c1	521254006	HVCRXIUPGKWYTE-LLVKDONJSA-N	291.847	5.130	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)c1C	538501824	HDQCDZZVHKSTCP-HOTGVXAUSA-N	293.410	5.461	0	20	CKAD	
Cc1cc([C@H](C)N[C@H]2CCc3c(C)cccc32)c(C)s1	539080410	UWUMKQRYXXQBFY-UGSOOPFHSA-N	285.456	5.011	0	20	CKAD	
Cc1cc([C@H](C)NCc2cccc(Cl)c2Cl)oc1C	558623567	WWSXSRMYCLVDQZ-JTQLQIEISA-N	298.213	5.054	0	20	CKAD	
CCCC(CCC)[S@](=O)Cc1cccc2ccccc12	609366415	CVFBLHUKBTXFLS-HXUWFJFHSA-N	288.456	5.057	0	20	CKAD	
CCC[C@H](N[C@H]1C[C@@H](C)c2c(C)cccc21)c1ccccn1	678115236	WXJMDUAJVMUOPQ-MNEFBYGVSA-N	294.442	5.069	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](CC(C)C)c2ccccc2)c(C)n1	678412454	UYGIGGWSIADWHY-XLIONFOSSA-N	296.458	5.136	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1cscn1)c1ccccc1	697866219	PQCGHSZQYLMJLK-GDBMZVCRSA-N	288.460	5.115	0	20	CKAD	
CCCCC[C@H](C)CC(=O)N1CCC[C@H]1c1ccsc1	742544099	YXJLASWVTSPNDV-HOCLYGCPSA-N	293.476	5.018	0	20	CKAD	
C[C@@H](SCc1cccc(Cl)n1)c1c(F)cccc1F	743248699	ODBLVFPCGMYDDF-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
CC(C)[C@@H](NCc1ccsc1)c1ccc(Cl)cc1F	781641165	GEYWMZKLALZXQU-OAHLLOKOSA-N	297.826	5.028	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2csc3ccccc23)oc1C	800478146	XUZPPKLMZUXVNX-OLZOCXBDSA-N	299.439	5.523	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccn1)c1cccc2ccccc12	886790514	FBQLMMTWGOHGSJ-HNAYVOBHSA-N	290.410	5.037	0	20	CKAD	
C(/C=C/c1nc2ccccc2s1)=C\c1ccccc1	58464489	NOQJWWXFGZZLQT-GODDPXKCSA-N	263.365	5.023	0	20	CKAD	
c1cc(NCc2ccc3cnccc3c2)c2sccc2c1	395317596	RXMUQBNZQOBUOV-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1ccc(CN[C@@H](c2oc3ccccc3c2C)C(C)C)o1	482137452	DNIWDJHRGJEINT-GOSISDBHSA-N	297.398	5.130	0	20	CKAD	
Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](c1cccs1)C1CC1	504917123	AVYVWXYWKIUULA-ACWOFJMJSA-N	297.467	5.346	0	20	CKAD	
C[C@H](CCC(F)(F)F)Nc1ccccc1OC(C)(C)C	544350826	LSJRHOVARCGIRC-LLVKDONJSA-N	289.341	5.007	0	20	CKAD	
FC(F)c1ccc(CSC[C@@H]2CC2(Cl)Cl)cc1	763401742	BHCQPZCAYKCKGU-JTQLQIEISA-N	297.197	5.051	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc[nH]1)c1cccc(-c2ccccc2)c1	773121410	ZGPBCKSHVFXOAI-JKSUJKDBSA-N	290.410	5.094	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2cccc(CN(C)C)c2)cc1	863988542	UPRAHMOBPNRIHB-INIZCTEOSA-N	296.458	5.045	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)s1	21817538	QQUQVCTUJNIIFI-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
Clc1ccc(CN[C@H](c2cccs2)C2CCCC2)o1	37509402	FXCPDTAENSTLNT-HNNXBMFYSA-N	295.835	5.016	0	20	CKAD	
C[C@H](CCC(F)(F)F)N[C@@H]1CCC[C@@H](c2ccccc2)C1	488365302	JRDNJTJIPWBJES-FVQBIDKESA-N	299.380	5.033	0	20	CKAD	
CCC(CC)S[C@@H](C)c1nnc(-c2cccc(C)c2)o1	750953662	PKDFJVHVHKEXKY-LBPRGKRZSA-N	290.432	5.028	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1C	914732411	DLEANJNAEZIYDA-CQSZACIVSA-N	281.399	5.037	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc(C)sc1C)CC2	126486279	MMUPKYYIVHVWAD-FZKQIMNGSA-N	285.456	5.011	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccccc1F	302947445	LRFZZEDSQHAFQQ-GJZGRUSLSA-N	293.385	5.391	0	20	CKAD	
CSCc1cccc(NCc2ccc(C(F)F)cc2)c1	526974501	JVYHJGCZRZZZEB-UHFFFAOYSA-N	293.382	5.099	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccsc1	50342782	DCLWCDCRULHQGK-WBMJQRKESA-N	291.435	5.325	0	20	CKAD	
CSc1ccc([C@@H](C)NCc2ccc(C3CC3)cc2)cc1	94518614	DUCIPWQUQFDIPA-CQSZACIVSA-N	297.467	5.137	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(SC(C)(C)C)cc2)no1	285312669	SPCUDRSYTHXGHW-LBPRGKRZSA-N	290.432	5.047	0	20	CKAD	
Cc1cccc(C)c1NC(=O)Nc1cccc2ccsc12	443882213	WSHNKMMNVHDXKQ-UHFFFAOYSA-N	296.395	5.162	0	20	CKAD	
C[C@H](Nc1ccccn1)c1ccccc1Oc1ccccc1	506771258	XFEVSRHYDCWKLS-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
COc1ccc([C@H](C)Nc2cc(C)ccc2C)cc1Cl	507460463	NDVLKKZYWYLVDC-ZDUSSCGKSA-N	289.806	5.139	0	20	CKAD	
Cc1cccc(CN[C@H](CC(C)C)c2cccs2)c1C	518760648	IUGFIMSRBNKRMU-QGZVFWFLSA-N	287.472	5.242	0	20	CKAD	
C[C@H](NCc1ccc(Cl)s1)c1cccc(C2CC2)c1	521254007	HVCRXIUPGKWYTE-NSHDSACASA-N	291.847	5.130	0	20	CKAD	
CC(C)c1cccc(CNCc2ccc(C(F)F)cc2)c1	527233880	WDHPYGMXAVQWGA-UHFFFAOYSA-N	289.369	5.037	0	20	CKAD	
C[C@@H]1C[C@H](N[C@@H](c2cccs2)C2CC2)c2ccccc21	564125202	TYOVHDJYENOVQM-PZPSRYQVSA-N	283.440	5.037	0	20	CKAD	
C[C@@H](NCc1ccc(-c2cccs2)cc1)c1ccsc1	669937754	RAARDXRKUNQVQC-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
CCC[C@H](N[C@H]1C[C@H](C)c2c(C)cccc21)c1ccccn1	678115237	WXJMDUAJVMUOPQ-SNRMKQJTSA-N	294.442	5.069	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@H](C)c1csc(Cl)c1)CC2	682494349	RAUNAEXBBCTSKK-IAQYHMDHSA-N	291.847	5.048	0	20	CKAD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1cccc(F)c1	743475638	UHUCKYCCGZUJLJ-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
C[C@H](NC(c1ccccc1)c1ccccc1)c1ccsc1	50338451	SYQCMQHHMFQKDP-HNNXBMFYSA-N	293.435	5.188	0	20	CKAD	
Cc1ccc(-c2nc(-c3ccccc3)sc2Cl)cc1	66054635	DUXHOAYSBWBJQR-UHFFFAOYSA-N	285.799	5.439	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H]2CCSc3ccccc32)c1	183104197	BHMLYAKHZLLALT-CXAGYDPISA-N	299.439	5.043	0	20	CKAD	
C[C@@H](NCc1cccc(-c2ccccc2)c1)c1ccccc1	204647890	HGHJEBYPIQFVOK-QGZVFWFLSA-N	287.406	5.204	0	20	CKAD	
C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1ccccc1	303769158	MPQAFPWFWBJLRM-CYBMUJFWSA-N	294.398	5.298	0	20	CKAD	
C[C@H](N[C@H]1CCCc2occc21)c1ccc2ccccc2c1	386240885	SMBGWCBRPNWVGM-LIRRHRJNSA-N	291.394	5.161	0	20	CKAD	
C[C@@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1	435920615	LWRUBBGOJILIIT-LLVKDONJSA-N	279.305	5.111	0	20	CKAD	
Cc1cccc([C@H](C)NCc2ccc(C(F)F)cc2)c1C	461366694	POXHTRURMVMMFE-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
CCc1cccc(C)c1NC(=O)C[C@H](CC)c1ccccc1	504467103	JAJYYYKSXZMPGZ-KRWDZBQOSA-N	295.426	5.080	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1ccco1	682677936	HYRRWPVTSXUANT-AWEZNQCLSA-N	299.414	5.098	0	20	CKAD	
Cc1ccccc1[C@H](C)NCc1ccc2sccc2c1	685656915	ZQSIQIPLPXFVRT-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2ccc(F)c3ccccc23)c(C)o1	808437172	IFEQZSZAQLHSOM-ZDUSSCGKSA-N	297.373	5.040	0	20	CKAD	
CCCCC[C@@H](C)NC(=O)Nc1c(C)cccc1C(C)C	915307356	XYPLMVFFZRHCQG-OAHLLOKOSA-N	290.451	5.209	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1	21019664	LQLDXMBKBNGKIG-KBXCAEBGSA-N	271.379	5.018	0	20	CKAD	
FC(F)Sc1ccc(N[C@H]2CCCc3occc32)cc1	122099785	JLFXMHOUSQXXDX-ZDUSSCGKSA-N	295.354	5.084	0	20	CKAD	
COCc1ccccc1N[C@H](C)c1ccc2ccccc2c1	315675058	QROVZZPYKUELFW-OAHLLOKOSA-N	291.394	5.159	0	20	CKAD	
CC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1ccsc1	453184031	IZZCNCYPZBBTOQ-MLGOLLRUSA-N	275.417	5.019	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)C1CCC(F)(F)CC1	474052492	DUBWPFVAWCQHNF-NHYWBVRUSA-N	299.430	5.003	0	20	CKAD	
CCC[C@H](N[C@@H](c1ncccc1C)C(C)C)c1ccccc1	483141266	GVKJSJBWPCPGLB-RBUKOAKNSA-N	296.458	5.218	0	20	CKAD	
C[C@@H](Sc1ccnc2ccccc12)c1ccccc1	518304601	CIXHMGDRLWPQBE-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H](C)c2ccccc2Cl)o1	538851109	VQSKZPWMMMVASR-GHMZBOCLSA-N	281.808	5.192	0	20	CKAD	
CSc1ccc(C)c(N[C@H](C)c2nc3ccccc3o2)c1	539773159	QPISQFSMSQWYAJ-GFCCVEGCSA-N	298.411	5.031	0	20	CKAD	
Cc1cccc(C)c1[C@@H](C)N[C@H]1CCSc2ccccc21	546934268	VJXABCLADRRZQT-WBVHZDCISA-N	297.467	5.191	0	20	CKAD	
Cc1sccc1CN[C@@H](C)c1cc2ccccc2s1	555547261	PKLUZIKRYASBAX-NSHDSACASA-N	287.453	5.122	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](C)c2cnn(C(C)(C)C)c2C)cc1	562056794	LBJVAPNPGWEKKR-DANTVBBOSA-N	297.446	5.153	0	20	CKAD	
CCc1ccc(/C=C(\Cl)c2nc3ccccc3o2)s1	731156771	LOVZTXVFGGWRQR-XFXZXTDPSA-N	289.787	5.189	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1cc(F)ccc1F)c1ccccc1	36967545	OFTROVUAHYNCGC-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)s1	36971857	JEMWMMKTAZENLD-NSHDSACASA-N	298.411	5.248	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccsc1	50339000	YVKYRIICLVYXSE-KBPBESRZSA-N	281.424	5.313	0	20	CKAD	
c1ccc(C(SC[C@H]2CCCCO2)c2ccccc2)cc1	58836945	SRFOPYUICBJLAA-GOSISDBHSA-N	298.451	5.078	0	20	CKAD	
Cc1ccc2cc([C@H](C)NC3(c4ccccc4)CC3)oc2c1	426027580	BLVAHYBDTYBAQG-HNNXBMFYSA-N	291.394	5.081	0	20	CKAD	
Cc1ccc([C@H]2CCCCN2C(=O)C2CCCCCC2)cc1	525025760	VSCKUMFRCFBHFJ-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
C[C@@H](N[C@@H]1CCc2ccccc21)c1csc2ccccc12	765837452	XBLOHNMNLWEZQD-FZKQIMNGSA-N	293.435	5.239	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1ccccc1-c1cccs1	920220535	SIPNOEZSKCIALL-SEYXRHQNSA-N	285.412	5.100	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2Cl)o1	36960025	BBENEFLGSIZEBD-WDEREUQCSA-N	298.213	5.307	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](C)c1ccccc1Cl	70089895	KGYZSSPFSHBAFC-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
C[C@H](N[C@H](C)CCCC(F)(F)F)c1ccc(Cl)cc1	163215404	YAQFKTGFTGVBJC-MNOVXSKESA-N	293.760	5.112	0	20	CKAD	
CC[C@@H](NCc1cc(C)ccc1F)c1cccc(Cl)c1	227283721	PFEAPYXXHUQSGO-QGZVFWFLSA-N	291.797	5.028	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(C(C)C)cc2)cs1	381615901	QGAPHXHTNORCKY-ZDUSSCGKSA-N	259.418	5.353	0	20	CKAD	
CC[C@H](CC(=O)Nc1ccccc1C(C)C)c1ccccc1	504474422	VCOLBIIHBYNWCB-MRXNPFEDSA-N	295.426	5.332	0	20	CKAD	
CCC[C@H](N[C@H](CCC)c1ccccn1)c1ccsc1	682376260	IBWMSLFBLJDHDS-DOTOQJQBSA-N	288.460	5.115	0	20	CKAD	
CC[C@@H](SC1=N[C@@H](C)CS1)c1ccc(Cl)cc1	760184739	VVEAVRPFMWAUOX-JOYOIKCWSA-N	285.865	5.016	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1ccsc1	50337476	QISFOWBNSOVKIT-LBPRGKRZSA-N	253.370	5.074	0	20	CKAD	
CCCCc1ccc(NC(=O)c2sccc2C2CC2)cc1	69460429	SKQBTYJLOIDUPQ-UHFFFAOYSA-N	299.439	5.220	0	20	CKAD	
CSc1ccc(C)c(C(=O)Nc2cccc(C(C)C)c2)c1	248158672	NHMKKQRCWAFNOT-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
COCc1ccc(N[C@@H](C)c2cccc3ccccc23)cc1	319104148	XOPKOCCUKLVZDZ-HNNXBMFYSA-N	291.394	5.159	0	20	CKAD	
Cc1ccc2cccc(N[C@@H](C)c3csc(C)c3)c2n1	381476937	MUQPSAJFMWVZAZ-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
CCC[C@@H](NCc1cccc(OC(C)C)c1)c1ccccc1	385809390	RNXNERLLBZYETP-HXUWFJFHSA-N	297.442	5.105	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)CCCC(F)(F)F)s1	426033595	CIPQSOJOPWWVFJ-WDEREUQCSA-N	293.398	5.082	0	20	CKAD	
CCCCc1ccc([C@H](C)N[C@@H](CC)c2ccncc2)cc1	483718257	ALBJROYFGIZYIU-JXFKEZNVSA-N	296.458	5.226	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2c(F)cccc2Cl)oc1C	502459093	ZNBIESMLKYDQOF-MNOVXSKESA-N	295.785	5.101	0	20	CKAD	
Cc1ccc(N[C@H](C)c2sc(C(C)C)nc2C)cc1	539609969	VPGPUGOWDYWHCD-GFCCVEGCSA-N	274.433	5.056	0	20	CKAD	
C/C=C\c1ccc(NCc2nc3ccc(F)cc3s2)cc1	577438544	QBVDCQUKRHEKAG-IHWYPQMZSA-N	298.386	5.081	0	20	CKAD	
C[C@H]1CC/C(=C\C(=O)Nc2ccccc2-c2ccccc2)C1	753577617	BIASFZWRTIYCGN-IDTYTIONSA-N	291.394	5.039	0	20	CKAD	
c1ccc(SCc2csc(-c3cccs3)n2)cc1	58917556	UPJUPAIFFULHHX-UHFFFAOYSA-N	289.450	5.164	0	20	CKAD	
Cc1nc(CSc2ccc(-c3ccccc3)cc2)oc1C	63537621	ZGGKYSDRSJMHOY-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1=CCCCC1	124373120	RCPFBROMJDQCLO-UHFFFAOYSA-N	285.431	5.372	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CC1)c1csc(Cl)c1	230407638	OHQZJMOFJHWKTL-BDJLRTHQSA-N	291.847	5.203	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H]1CCc2cc(C)ccc21	442773008	BMQMIJVHTFATHC-KSSFIOAISA-N	297.467	5.055	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@H](C)c2cc3ccccc3o2)c1C	477924751	GTOCFCGRKSZGSF-QWHCGFSZSA-N	297.402	5.082	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@@H](C)c2ccc(Cl)s2)c1C	477952002	YAGFFRGCJRZMQU-ZJUUUORDSA-N	297.855	5.051	0	20	CKAD	
CC(C)Sc1ccccc1N[C@H](C)c1ccccc1F	630056951	OELUAOHFSDTWDZ-CYBMUJFWSA-N	289.419	5.499	0	20	CKAD	
CN(C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1	59004993	FRHQQORUGUPJTG-UHFFFAOYSA-N	293.410	5.011	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2sccc2C)cc1	70090749	YAQORCWMRPPFCO-QWHCGFSZSA-N	291.485	5.190	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@H](C)c2ccc(CC(C)C)cc2)c1	514086501	BBLYBDYGXHGXTB-SJORKVTESA-N	296.458	5.000	0	20	CKAD	
CC(C)(NCc1ccc(Cl)cc1)c1cccc(Cl)c1	523390636	VMYOBINSWSPNLI-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
Cc1noc(C)c1CS[C@@H](C)c1cccc2ccccc12	523493028	SQQZRTJMOJIFTQ-AWEZNQCLSA-N	297.423	5.439	0	20	CKAD	
CC(C)C[C@@H](N[C@H]1CCc2ccccc21)c1cccs1	540190859	JHLRLSRHIWMDHM-DLBZAZTESA-N	285.456	5.112	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@@H](c2ccccc2C)C(C)(C)C)c1	556868873	XDMJCYYYWMYNBK-LPHOPBHVSA-N	296.458	5.136	0	20	CKAD	
c1cc(CNc2ccc(OC3CCCCC3)cc2)cs1	734848113	AIVHLZFWHKVMPQ-UHFFFAOYSA-N	287.428	5.072	0	20	CKAD	
CCCC[C@@H](C)N(CCCC)C(=S)Nc1ccccc1	840761679	ZXUKSOZMLVQEDF-OAHLLOKOSA-N	292.492	5.064	0	20	CKAD	
Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)sc1C	24021675	JWGVJSQJQPDRFF-UHFFFAOYSA-N	287.428	5.049	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccccc1	43313633	PBELKAHCKBWEQP-OAHLLOKOSA-N	296.414	5.001	0	20	CKAD	
C[C@@H](N[C@@H]1CCc2ccccc21)c1cc2ccccc2s1	121974628	UFCAVLAJDNASFB-CXAGYDPISA-N	293.435	5.239	0	20	CKAD	
CC[C@H](N[C@@H](CC(F)F)c1ccccc1)c1cccs1	421873184	HLXUEZOIIUQEII-KBPBESRZSA-N	295.398	5.185	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C(CC)CC	464419155	MKMZIVSMONXJRB-UHFFFAOYSA-N	275.436	5.137	0	20	CKAD	
CC[C@H](Nc1cccc([C@H](C)OC)c1)c1ccccc1F	495105711	CAZKRMYZQJHNEB-UGSOOPFHSA-N	287.378	5.096	0	20	CKAD	
Cc1ccccc1[C@@H](C)Nc1cccc(COCC2CC2)c1	531677184	CNSKEQUURYBXIE-MRXNPFEDSA-N	295.426	5.095	0	20	CKAD	
CCC(C)(CC)NC(=O)N(c1ccccc1)c1ccccc1	573237263	DEPBCCYTPOMQIA-UHFFFAOYSA-N	296.414	5.113	0	20	CKAD	
CCCCCCC(=O)Nc1cccc(Cl)c1OC(C)C	735637542	JGDLXZJRRSGTDE-UHFFFAOYSA-N	297.826	5.036	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C1\CC[C@@H](C)C1	788486995	APBOCAOJZVLKGG-WTNDLDAUSA-N	299.458	5.447	0	20	CKAD	
Cc1ccc(F)c(CN[C@@H](c2ccccc2)C(C)(C)C)c1	227283505	WLCCMNWFJBGWFW-SFHVURJKSA-N	285.406	5.011	0	20	CKAD	
CC[C@H](Nc1cccc(C(F)(F)F)c1)c1ccsc1	382069918	CAWMWAYSOZFMEL-ZDUSSCGKSA-N	285.334	5.330	0	20	CKAD	
CC[C@@H](Nc1cccc(Br)c1)c1ccsc1	382100406	IZAZCIUELAGPMC-CYBMUJFWSA-N	296.233	5.074	0	20	CKAD	
CC(C)Oc1ccccc1-c1nc(C2CCCC2)cs1	437673822	ZZUGINHFEKAPOY-UHFFFAOYSA-N	287.428	5.255	0	20	CKAD	
C/C(=C\c1cccc(-c2ccccc2C)c1)c1cnccn1	478337872	MQKNOTPDPAYGNW-FOWTUZBSSA-N	286.378	5.013	0	20	CKAD	
CCCCCN(C(=O)Nc1cc(Cl)ccc1C)C(C)C	508147597	LEPOTUZAASDYCF-UHFFFAOYSA-N	296.842	5.081	0	20	CKAD	
C[C@H](SCCC(F)(F)F)c1ccc(F)c(Cl)c1	524885065	IAVVIEGZSYMDIS-ZETCQYMHSA-N	286.721	5.226	0	20	CKAD	
CCCCCS[C@H](C)c1nnc(-c2ccc(C)cc2)o1	539250558	DSMWZSZGYXCUOZ-CYBMUJFWSA-N	290.432	5.029	0	20	CKAD	
CC(C)CCCS[C@@H](C)c1nnc(-c2cccs2)o1	540715905	UAYPWFYUVZLRAH-NSHDSACASA-N	296.461	5.029	0	20	CKAD	
Cc1noc([C@@H](C)S[C@@H](C)c2cccc3ccccc23)n1	604436080	KQKDVGVLNTXVDS-NWDGAFQWSA-N	298.411	5.087	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)C(C)(C)C)c(C)n1	678411480	MAZHYIJFKPBIGH-QFBILLFUSA-N	296.458	5.136	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc3ccccc23)c(C)n1	679132856	CVCSYAHJEYEXOB-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1ccnc(Cl)c1	834881569	UIFHISJUQOAHCC-JTQLQIEISA-N	296.748	5.020	0	20	CKAD	
CCC/C(C)=C/C(=O)N(CC)[C@H](C)c1cc2ccccc2o1	920224931	QJJMGGXSIFHHOY-OKFGHLOFSA-N	299.414	5.089	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccc(Cl)cc1	35054099	DNRKXJPCHHBTFO-RDTXWAMCSA-N	287.834	5.388	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)c(C)o1	36968325	AVDGBOQXILYFIB-SCLBCKFNSA-N	289.394	5.083	0	20	CKAD	
C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccccc1	37185945	MAKICKBUTUMWMI-XJKSGUPXSA-N	293.332	5.031	0	20	CKAD	
CC(C)OCc1ccc(N[C@@H](C)CCc2ccccc2)cc1	495637097	JGTHXMYSTQUKAT-KRWDZBQOSA-N	297.442	5.045	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3o2)oc1C	502426357	FVJCXDWAQPWLOF-QWHCGFSZSA-N	283.371	5.054	0	20	CKAD	
C[C@@H](CC1CCCCC1)C(=O)Nc1cccc(C(F)F)c1	510850293	GOWDIIUXNWJPDS-LBPRGKRZSA-N	295.373	5.169	0	20	CKAD	
C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1ccccc1F	539741919	WRJNUAHIBGZFGV-LLVKDONJSA-N	297.295	5.104	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1cccnc1)c1ccc(F)cc1	575899487	ADUWNYWHWJKFEQ-BLLLJJGKSA-N	275.392	5.166	0	20	CKAD	
C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cccc(C2CC2)c1	582979650	YCHSHGBEDGAQSB-CQSZACIVSA-N	295.401	5.043	0	20	CKAD	
CSc1cc(N[C@@H](c2cccnc2)C2CCC2)ccc1C	652332073	BMXJIWQOQAKSCU-GOSISDBHSA-N	298.455	5.065	0	20	CKAD	
c1ccc2c(c1)CCC[C@H]2NCc1ccc2ccccc2c1	25259601	ZDMMFTMSUBDEMJ-OAQYLSRUSA-N	287.406	5.007	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)s1	49160443	DDCIRQVSRYWEJG-ZIAGYGMSSA-N	299.439	5.523	0	20	CKAD	
Clc1ccc(SCc2nc3ccccc3s2)cc1	255930998	RVGICENDNRZCTG-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CC1CCCC1	255948382	HCWAEMBEWKKHSA-UHFFFAOYSA-N	287.447	5.452	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1cccc(O)c1)C(C)(C)C	442797078	WPXPTNUQJBXESJ-KXBFYZLASA-N	297.442	5.139	0	20	CKAD	
CC[C@@H](C)[C@H](NCc1ccc(C)o1)c1ccc(Cl)cc1	462755061	TVLWAYZFVIWGDR-PXAZEXFGSA-N	291.822	5.118	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@@H]2CC=CCC2)c(C(C)C)c1	512396219	JWHYRVDZYXLLEX-OAHLLOKOSA-N	285.431	5.228	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc(C3CCC3)c2)c(C)n1	643321894	JGIIZYKPSVNKNY-OAHLLOKOSA-N	280.415	5.139	0	20	CKAD	
Clc1ccsc1CN[C@H](CC1CC1)c1ccccc1	683770483	DARRTEMINDJODZ-OAHLLOKOSA-N	291.847	5.033	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1	36967336	UHZYQXWWVABJFJ-KBXCAEBGSA-N	287.834	5.388	0	20	CKAD	
C[C@H](Nc1ccc(CCC(F)(F)F)cc1)c1cccs1	179605863	ZAHOXVGQVCHQMU-NSHDSACASA-N	299.361	5.416	0	20	CKAD	
CCOCCCS[C@H](C)c1ccc2ccccc2c1	437267581	IYKVJRILCMJWSA-CQSZACIVSA-N	274.429	5.061	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1C=CCCC1	472681331	CNCWCQAGVMLARZ-MRXNPFEDSA-N	299.458	5.447	0	20	CKAD	
CC(C)c1ccccc1NCc1cc(-c2ccccc2)no1	511725079	QZRQXKPIKUWADM-UHFFFAOYSA-N	292.382	5.077	0	20	CKAD	
CC(C)Sc1ccccc1NCc1cccc2[nH]ccc12	536097943	HGTRYFOKECJGMY-UHFFFAOYSA-N	296.439	5.281	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H](C)c2ccc(Cl)cc2)o1	539951252	UHTAPVDMOVQFLK-QWRGUYRKSA-N	281.808	5.192	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](c2ccc(F)cc2)C2CC2)c1	540835358	KBHLBGAHXKNNEP-ORAYPTAESA-N	299.389	5.096	0	20	CKAD	
Fc1cccc(CNc2cccc(C(F)F)c2Cl)c1	544595974	NLCNSIUDQQLMDQ-UHFFFAOYSA-N	285.696	5.029	0	20	CKAD	
Cc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)cs2)o1	604412625	XTUXHLDDYLTBDY-UHFFFAOYSA-N	294.379	5.168	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C=C1CCCC1	788487831	ITJITTCRYWSRFD-UHFFFAOYSA-N	285.431	5.201	0	20	CKAD	
Cc1ccc(OCc2nc(-c3ccccc3C)cs2)cc1	917624080	JIZVUJXXDPCYDN-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1cccs1	37118545	AQYVHNLSZSEFES-GXTWGEPZSA-N	289.444	5.014	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cc(C)sc2C)c1	37315042	IKHCNAPDMVQKDM-KGLIPLIRSA-N	273.445	5.085	0	20	CKAD	
CC(C)C[C@@H](N[C@@H](C)c1ccsc1)c1ccccc1	50341846	UJJYPNOYFJTYRB-WMLDXEAASA-N	273.445	5.186	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cccc(F)c2F)c(C)s1	222716422	JDNUYMWSKKSYTM-WDEREUQCSA-N	295.398	5.055	0	20	CKAD	
CCc1nc(CSCc2ccc(C(F)F)cc2)cs1	460775380	FJQDCAWXNQRFMX-UHFFFAOYSA-N	299.411	5.077	0	20	CKAD	
Clc1ccc([C@@H](CC2CC2)NCc2cccs2)cc1	468927712	KJEMESIOXMRQGY-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
C[C@@H](Nc1ccc2[nH]ccc2c1)c1cccc(Cl)c1F	478406482	DYWCKLIFSNLBBU-SNVBAGLBSA-N	288.753	5.134	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)oc1C	502707951	OOEAIYGBWSXJJJ-KUHUBIRLSA-N	283.415	5.088	0	20	CKAD	
Cc1nc(CS[C@H](C)c2ccc(F)c(F)c2)c(C)s1	507589700	ZPBRXXUAPGWZBP-MRVPVSSYSA-N	299.411	5.033	0	20	CKAD	
CCCCN(C(=O)c1cc2sccc2s1)[C@H](C)CC	517383555	QAIDTLJPPKIMBI-LLVKDONJSA-N	295.473	5.004	0	20	CKAD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1ccco1	540840533	AVTLLPWYEKFAAD-LBPRGKRZSA-N	269.369	5.181	0	20	CKAD	
C[C@@H](Nc1ccccc1OC(C)(C)C)c1ccccc1F	630058049	XEDYJWAFEKMNOO-CYBMUJFWSA-N	287.378	5.176	0	20	CKAD	
C[C@@H](CCC(F)(F)F)Nc1ccccc1NC(C)(C)C	798935362	PCYNDOWWECHUOB-NSHDSACASA-N	288.357	5.040	0	20	CKAD	
CCCCN(C)C(=O)Nc1ccc(C(C)C)cc1C(C)C	58053140	SILJCJLKWMXFKJ-UHFFFAOYSA-N	290.451	5.197	0	20	CKAD	
CC(C)c1ccc(CNc2ccc(-c3cnco3)cc2)cc1	236729745	IASPDDZMPHCDBF-UHFFFAOYSA-N	292.382	5.077	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](CC(F)F)c2ccccc2)cs1	421884262	UGWZCKAFOUYFLL-SWLSCSKDSA-N	295.398	5.104	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccsc1	453223054	AKCHNBGCIFGSRE-HNNXBMFYSA-N	295.398	5.101	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21	467285542	HMHMENDYWTUURH-PIIMJCKOSA-N	299.458	5.308	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc3[nH]c(C)c(C)c3c2)s1	481407066	RGZKWVUCMZTCHS-CQSZACIVSA-N	298.455	5.005	0	20	CKAD	
CC[C@@H](CC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1	523102490	MEPOVBYZEKJIJS-KRWDZBQOSA-N	295.426	5.134	0	20	CKAD	
C[C@@H](NC1(c2ccccc2F)CC1)c1cccc(C2CC2)c1	550751103	HEYRCJNHWYKFFI-CQSZACIVSA-N	295.401	5.043	0	20	CKAD	
O=C(C=C1CCCCC1)Nc1cccc(C(F)F)c1Cl	754486134	DAMBHWTWWMVNAE-UHFFFAOYSA-N	299.748	5.107	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1c(F)cccc1F	36951941	BUKAXTHCAGQRFK-LBPRGKRZSA-N	283.321	5.291	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)s1	37070890	GRBVWXAFKAWJBU-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
CC(C)CN(C)C(=O)Nc1ccc(C(C)C)cc1C(C)C	62387987	CDHRITRQXHVSPN-UHFFFAOYSA-N	290.451	5.053	0	20	CKAD	
Cc1nc(-c2cccc(N[C@@H](C)c3ccsc3)c2)oc1C	183017869	JLKRDSZOSFGMPC-LBPRGKRZSA-N	298.411	5.193	0	20	CKAD	
Fc1ccccc1/C=C(/Cl)c1nc2ccccc2s1	210246643	GHYATPIGFNTDFU-PKNBQFBNSA-N	289.762	5.172	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc(Cl)s1	498485792	VHINIGDNFTUXMK-BXUZGUMPSA-N	291.847	5.048	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C1CC2(CCC2)C1	648367246	PHGMYOWIIBALTG-UHFFFAOYSA-N	299.458	5.281	0	20	CKAD	
O=C(/C=C\C1CCCCC1)Nc1cc(Cl)ccc1Cl	735423391	WPVWHAJWIHFBCQ-TWGQIWQCSA-N	298.213	5.068	0	20	CKAD	
C[C@@H](NCCCCC(F)(F)F)c1cccc2ccccc12	127227331	RMFMJRBFOSQDHX-CYBMUJFWSA-N	295.348	5.223	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1ccc(F)cc1F	171119465	AOWKAAQVFLDHDU-VIFPVBQESA-N	283.268	5.076	0	20	CKAD	
CCc1cccc(C)c1NC(=O)CC[C@@H](C)c1ccccc1	441289556	SQPXMMMTSIZHHA-OAHLLOKOSA-N	295.426	5.080	0	20	CKAD	
CCC[C@H](Nc1cccc([C@@H](C)OC)c1)c1ccsc1	443098175	ZDPDYWUJORIJMK-DYVFJYSZSA-N	289.444	5.409	0	20	CKAD	
CC(C)c1nc(CNc2cccc(C3CCC3)c2)cs1	461728517	OVMHVVHYLXDRJC-UHFFFAOYSA-N	286.444	5.146	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C)C1	472668518	GSPWRFJLMPPQCQ-ZBFHGGJFSA-N	287.447	5.137	0	20	CKAD	
Cc1cnc([C@@H](C)Sc2cc(Cl)ccc2Cl)o1	538896670	NYVJWVFOIVLYPS-MRVPVSSYSA-N	288.199	5.143	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccccc1F	570990452	JRYLMYKMFNZOEY-KGLIPLIRSA-N	283.390	5.115	0	20	CKAD	
CCc1cccc(C)c1NC(=O)C[C@H]1CCCC(C)(C)C1	622321516	GVJMTBWKDDRWRI-OAHLLOKOSA-N	287.447	5.102	0	20	CKAD	
COCc1ccc(N[C@@H](C)c2cc3ccc(C)cc3o2)cc1	774487581	WISQCRUQKVTWLR-AWEZNQCLSA-N	295.382	5.061	0	20	CKAD	
Oc1ccc(CNc2ccc(SC3CCCC3)cc2)cc1	37085836	WCLWVSWJJXUYSA-UHFFFAOYSA-N	299.439	5.039	0	20	CKAD	
CC(C)C[C@H](N[C@@H](C)c1ccsc1)c1ccccc1	50341843	UJJYPNOYFJTYRB-YOEHRIQHSA-N	273.445	5.186	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc2ccccc2c1)c1nccs1	80263211	KKCFQGPKCZXTQQ-DYVFJYSZSA-N	296.439	5.098	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)C1CCC(F)(F)CC1	474052488	DUBWPFVAWCQHNF-ABAIWWIYSA-N	299.430	5.003	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)oc1C)c1ccc(Cl)s1	481955166	FCZAWCJNYDAOFJ-MFKMUULPSA-N	297.851	5.413	0	20	CKAD	
Cc1c([C@H](N[C@@H](C)c2ccco2)C(C)C)oc2ccccc12	482875848	SUYASPYZYDVIMC-KBXCAEBGSA-N	297.398	5.382	0	20	CKAD	
CC[C@@H](NCc1cc2ccccc2s1)c1ccccc1	495504622	WCHSMGIUDFEJSG-QGZVFWFLSA-N	281.424	5.142	0	20	CKAD	
CC(C)CCSCc1csc(-c2ccsc2)n1	519168061	GGDZFSSGVLEECZ-UHFFFAOYSA-N	283.487	5.151	0	20	CKAD	
Cc1cnc(CSc2ccc(C3CCCCC3)cc2)o1	525109627	FNIHUJDXAQHSTL-UHFFFAOYSA-N	287.428	5.323	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)c1	532501152	NGEAMODRRGBLPJ-IEBWSBKVSA-N	296.458	5.055	0	20	CKAD	
Clc1ccc(CS[C@@H]2CCCc3ccccc32)cn1	920749395	HOZRIWWOJWRWPO-OAHLLOKOSA-N	289.831	5.046	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc2ccccc2o1)c1cccs1	37070845	CPHGZLGVCVJJAC-OCCSQVGLSA-N	285.412	5.296	0	20	CKAD	
Cc1occc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	46709383	KJRFZEALCRPOEU-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2ccc3ccccc3c2)s1	50101750	LCAZKLVDFURFTM-GFCCVEGCSA-N	282.412	5.086	0	20	CKAD	
CCc1sc(-c2ccccc2OC)nc1-c1ccccc1	58786768	ZBZQYUUYUPLSKV-UHFFFAOYSA-N	295.407	5.048	0	20	CKAD	
CCN(C(=O)Nc1c(C)cccc1C(C)C)[C@H](C)C(C)C	67662258	OCBCCOSPXYKBLZ-OAHLLOKOSA-N	290.451	5.017	0	20	CKAD	
FC(F)Sc1ccc(N[C@@H]2CCCc3occc32)cc1	122099614	JLFXMHOUSQXXDX-CYBMUJFWSA-N	295.354	5.084	0	20	CKAD	
C[C@H](NCc1ccc(C(F)F)cc1)c1cccc(Cl)c1	131300948	RRQPEFRFIBJTET-NSHDSACASA-N	295.760	5.128	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccsc1	382169779	VYFUZVZWFGTYAN-IRXDYDNUSA-N	287.472	5.576	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(F)cc1	532216184	ULCQNTRXIRKBPN-IFXJQAMLSA-N	283.390	5.018	0	20	CKAD	
CSCc1cccc(N[C@H](C)c2cc(F)cc(F)c2)c1	539735933	MNZZSRMJOXWOKI-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccoc1)c1ccc(Cl)cc1F	543799727	UOXLFIOEFDECKD-ZBEGNZNMSA-N	295.785	5.120	0	20	CKAD	
CCC(CC)CC(=O)Nc1cccc(C(F)F)c1Cl	578802346	YKPXPZPBHQYYLU-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cc2ccccc2s1	583911268	WAFZUSIWRYQTFY-WCQYABFASA-N	295.398	5.130	0	20	CKAD	
CC[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1ccccc1	602583093	JZKOTWBBBXCYSW-LJQANCHMSA-N	297.442	5.105	0	20	CKAD	
CC[C@H](SCc1c(C)noc1C)c1ccc(Cl)cc1	608858792	QNZZUUXTKHUPAK-HNNXBMFYSA-N	295.835	5.329	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1c(CC)cccc1CC	741882847	XOYIXYZRBIYKPH-OAHLLOKOSA-N	289.463	5.356	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)s1	37070887	GRBVWXAFKAWJBU-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
Clc1cccc2c1oc1ccc3ccccc3c12	144759354	LRGOFBJOPJHXGC-UHFFFAOYSA-N	252.700	5.393	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(Cl)cc2F)c(C)s1	157436552	CAZJECYSUWSVNF-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H]2CCc3sc(Cl)cc32)cs1	453243546	CPLXOXXSZLXKIK-SKDRFNHKSA-N	297.876	5.110	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2C)s1	531711903	QAXFHLNVKPYKHL-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)s1)c1ccc(Cl)s1	532500039	YMKKZTZEJPSTFK-MNOVXSKESA-N	299.892	5.573	0	20	CKAD	
C[C@@H](SCCOC(C)(C)C)c1ccc(F)c(Cl)c1	609389304	KKYNVNPNPRWSPE-SNVBAGLBSA-N	290.831	5.088	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1cnccc1C)c1ccccc1	772445650	BYRQUCUDDOOOMK-FXAWDEMLSA-N	296.458	5.362	0	20	CKAD	
CCc1ccc(CNc2ccccc2NC(C)(C)C)cc1	864027376	KJVKXAQTGVXMTR-UHFFFAOYSA-N	282.431	5.072	0	20	CKAD	
COc1ccc([C@@H](C)Nc2cccc3ccccc23)cc1	19900864	UMWBHPUHNMRECK-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
CCCCCCN[C@H](CC)c1ccc(Br)cc1	21516679	NZAMRKKLKFVHNF-OAHLLOKOSA-N	298.268	5.070	0	20	CKAD	in-vitro
CCCc1ccccc1NC(=O)c1ccc2ccccc2c1	24501200	XBAITAUMFJOGEE-UHFFFAOYSA-N	289.378	5.045	0	20	CKAD	
Cc1ccncc1CNc1ccccc1SC1CCCC1	135447876	HYUYYBBXRLVIAE-UHFFFAOYSA-N	298.455	5.037	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)cs1	381510248	UWKXKSXCHVQEGI-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)CCCC(F)(F)F)s1	426033593	CIPQSOJOPWWVFJ-MNOVXSKESA-N	293.398	5.082	0	20	CKAD	
CCC[C@@H](NCc1ccc(CC)s1)c1ccsc1	443099321	SSDZWFHJQVSVDV-OAHLLOKOSA-N	279.474	5.003	0	20	CKAD	
CC[C@@H](C)CCC(=O)Nc1cc(C(F)F)ccc1Cl	576537114	ODCFQGYYCAXWRX-SECBINFHSA-N	289.753	5.042	0	20	CKAD	
COCc1ccc(N[C@H](CCC(C)C)c2ccoc2)cc1	796966644	IBGOUQDVEKBWKK-GOSISDBHSA-N	287.403	5.015	0	20	CKAD	
Cc1ccc(NCc2cc(C)c3ncccc3c2)cc1Cl	864018585	LHMBZTOZQKIZLE-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
CC1=C(c2nc(-c3c(Cl)cccc3Cl)no2)CCC1	904310250	PLEKWUXCZYWUGN-UHFFFAOYSA-N	295.169	5.001	0	20	CKAD	
CC[C@@H](Nc1ccc(SC)cc1)c1cccs1	21805186	VCHSHDMIAKDIJQ-CYBMUJFWSA-N	263.431	5.033	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccccc1F)c1ccc(F)cc1	36968160	QIFXDULROAMUAI-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CC(C)c1ccc([C@H](C)N[C@@H](C)c2ccsc2)cc1	50341862	CVKGYMJJDYVNOT-KBPBESRZSA-N	273.445	5.283	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1Cl)c1cc(F)cc(F)c1	94826182	FRBGPAVVPHCYQX-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC[C@@H](SC)C(=O)Nc1c(C(C)C)cccc1C(C)C	123817234	WSMFKPJNGYISJJ-OAHLLOKOSA-N	293.476	5.014	0	20	CKAD	
C[C@@H](Nc1cccc(C(C)(F)F)c1)c1c(F)cccc1F	435931620	XXNNUPDZUIYHQN-SNVBAGLBSA-N	297.295	5.250	0	20	CKAD	
Clc1ccc(-c2ccccc2)cc1NCc1ccncc1	475359663	WXPMVSMURBWPLT-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3s2)oc1C	502433852	JFFFSIHUXXWZHN-CHWSQXEVSA-N	299.439	5.523	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@H](C)c2ccsc2)cc1	510926107	AXWZOKUPOLQZCV-CHWSQXEVSA-N	291.485	5.272	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1	527848482	RDBVNDTWTQYZAA-XHSDSOJGSA-N	282.431	5.007	0	20	CKAD	
CCc1cnc(CS[C@@H](C)c2ccc(F)c(Cl)c2)o1	531857945	GVYFPVYGWOQNAB-VIFPVBQESA-N	299.798	5.024	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCCC1)c1ccsc1	532218220	LVQXGOJQHVYITM-KSSFIOAISA-N	285.456	5.330	0	20	CKAD	
Cc1cnc([C@H](C)Nc2ccc3oc4ccccc4c3c2)o1	536388529	YBOUZSPKMVXZSK-LBPRGKRZSA-N	292.338	5.056	0	20	CKAD	
Cc1c(COC(C)(C)C)cccc1N[C@H](C)c1ccoc1	540753693	NDACWNLLJDAPFC-CQSZACIVSA-N	287.403	5.076	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2cc3cnccc3o2)c1	657941461	DRWBVAYCBKVAHV-CYBMUJFWSA-N	280.371	5.124	0	20	CKAD	
CC(C)C[C@H](Nc1ccc(OC(C)C)cc1)c1ccccn1	776811593	OPJBUDNPRIIEGN-IBGZPJMESA-N	298.430	5.068	0	20	CKAD	
Clc1ccc2c(c1)oc1c(-c3ccccc3)cccc12	2088642673	NZQFPDRIKZKHQB-UHFFFAOYSA-N	278.738	5.906	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sccc21)c1ccc(Cl)s1	61326727	FCJSJRBXAYPVJD-KOLCDFICSA-N	297.876	5.191	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)CCCC(F)(F)F)c(C)s1	163328001	WKCZNHVCSOHPQH-KOLCDFICSA-N	293.398	5.137	0	20	CKAD	
C[C@H](NCc1coc2ccccc12)c1cc2ccccc2o1	378906497	FPDPRNBDZVNPSE-ZDUSSCGKSA-N	291.350	5.030	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(-c3cccs3)cc2)o1	444684228	IVTVBFZYXQDYIX-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
CC[C@H](N[C@H]1CCCC(F)(F)C1)c1ccc(Cl)s1	536848135	XSLVEAZEQKAJGV-UWVGGRQHSA-N	293.810	5.020	0	20	CKAD	
CC[C@H](Nc1ccc(C)c(-c2ncco2)c1)c1ccccc1	539742243	ZOSICGTZDXMQSN-SFHVURJKSA-N	292.382	5.213	0	20	CKAD	
Cc1nc2ccc(N[C@@H](C)c3cc4ccccc4o3)cc2o1	561882137	UCWGWCUTRLLODT-NSHDSACASA-N	292.338	5.056	0	20	CKAD	
Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](C)C(C)C	603103458	QBVNFLMANMVQQV-HNNXBMFYSA-N	297.398	5.018	0	20	CKAD	
C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2-c2cccs2)C1	607453191	KWFCAUJLLWSAIU-KGLIPLIRSA-N	299.439	5.180	0	20	CKAD	
Cc1cc(C)cc(NC(=S)Nc2ccc(C(C)C)cc2)c1	6963266	CNSBRHMZLROZCI-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1cccs1	21027208	AQMBRVVWXXTWGR-KGLIPLIRSA-N	281.424	5.313	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2sccc2C)cc1	70090752	YAQORCWMRPPFCO-OLZOCXBDSA-N	291.485	5.190	0	20	CKAD	
Cc1ncc(CS[C@H](C)c2ccc(Cl)cc2)s1	195727894	FNWCJWVFXYBOFQ-SECBINFHSA-N	283.849	5.099	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(C(C)C)cc2)cs1	381858273	ZWKHYCMAUQTAHE-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
CC[C@H](N[C@H]1CCc2sc(Cl)cc21)c1ccsc1	453255412	PZCJOGNVGQCGOP-RYUDHWBXSA-N	297.876	5.191	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccccc1)c1ccc(F)cc1F	484524055	WOYQHGCUSIDTRB-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CCC(C)C	515378431	QPCMLQJLOQXSPG-HNNXBMFYSA-N	290.451	5.065	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc3nc(C4CC4)oc3c2)s1	538550047	QODPYZQAJONNIV-NSHDSACASA-N	298.411	5.248	0	20	CKAD	
Cc1cnc([C@@H](C)SCCc2ccc3ccccc3c2)o1	552303169	SBYWYFXCHCOBSI-CQSZACIVSA-N	297.423	5.173	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccc2c(c1)COC2	776782180	GBMDWUBCBCHSDR-AWEZNQCLSA-N	289.378	5.043	0	20	CKAD	
C[C@@H](NCc1ccc(CF)cc1)c1cccc2ccccc12	777720149	FVTBHTTWWXKBAW-OAHLLOKOSA-N	293.385	5.160	0	20	CKAD	
CCCCN(C(=O)/C(C)=C(\C)CC)[C@H](C)c1ccc(C)o1	779830499	WACIOMARNJSVDO-QJPKHSJYSA-N	291.435	5.024	0	20	CKAD	
CCCCCC[C@H](C)Nc1ccc(NC(C)=O)c(Cl)c1	36983162	UJAXBSSTJAAYET-LBPRGKRZSA-N	296.842	5.069	0	20	CKAD	
Cc1ccoc1CN[C@@H](C)c1ccc(-c2ccccc2)cc1	390745890	UKKYGYGQAUYRHN-INIZCTEOSA-N	291.394	5.106	0	20	CKAD	
FC(F)(F)CCSc1ccc(Cl)c(Cl)c1	463197814	SKNKKBYWMSDHOT-UHFFFAOYSA-N	275.122	5.038	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H]2CCCc3sccc32)c1C	468033893	PIQAIQOCINBVMC-WMLDXEAASA-N	285.456	5.093	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)C2CCC(F)(F)CC2)c1	474045334	QFAZFORMIIUCCK-OLZOCXBDSA-N	297.389	5.020	0	20	CKAD	
C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1ccc(F)cc1	538638723	MHLZBUZGGMYFOK-LLVKDONJSA-N	297.295	5.104	0	20	CKAD	
C[C@H](N[C@H](CC1CC1)c1ccccc1)c1cccc(F)c1	608376188	MUBYLAUYMWAZAS-IFXJQAMLSA-N	283.390	5.018	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccccc1)c1cccs1	620760694	MSBSCJBHCPSANQ-QGZVFWFLSA-N	273.445	5.015	0	20	CKAD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1cccs1	765833232	MAQBIQQJPKEICJ-NEPJUHHUSA-N	287.453	5.375	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2c(F)cccc2F)s1	41631785	IQJACLFYCNVNNY-MNOVXSKESA-N	295.398	5.001	0	20	CKAD	
CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1cccs1	42331747	QTEGMQXVZBTLPR-IUODEOHRSA-N	277.458	5.002	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(F)cc2Cl)c(C)s1	47944131	XORQWMXCURISLK-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
CCOc1cccc([C@@H](C)NCc2ccc(C(C)C)cc2)c1	63319377	ZWUUZBTXXFAEMH-MRXNPFEDSA-N	297.442	5.060	0	20	CKAD	
C[C@H](Nc1ccc(SC(C)(C)C)cc1)c1ccccn1	179623266	ZTMYNFVZHPYSAY-ZDUSSCGKSA-N	286.444	5.145	0	20	CKAD	
FC(F)c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1	188411635	HYYKQYGYLZFEPR-JQWIXIFHSA-N	293.279	5.157	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@@H](C)CC(F)F)c(C(C)C)c1	413150960	VZTMDYINJBMAGC-LBPRGKRZSA-N	297.389	5.163	0	20	CKAD	
Cc1ccc(CN[C@H](c2oc3ccccc3c2C)C(C)C)o1	482137456	DNIWDJHRGJEINT-SFHVURJKSA-N	297.398	5.130	0	20	CKAD	
CC(C)c1ccc([C@H](N[C@H](C)c2cccnc2)C(C)C)cc1	538869585	CXGFJOVQYNZXQG-OXQOHEQNSA-N	296.458	5.253	0	20	CKAD	
C/C=C/c1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1	558256665	OGQPDJSHQMKDHX-YFCVBGDOSA-N	295.430	5.204	0	20	CKAD	
CC[C@@H](SCc1cc(C)no1)c1ccc(Cl)cc1	608858847	VNLROIIRLFSPIZ-CQSZACIVSA-N	281.808	5.021	0	20	CKAD	
CCCC[C@@H](CCC)N[C@@H](C)c1ccc(C(F)F)nc1	657900970	OPZOGPYJQJNNAP-GXTWGEPZSA-N	284.394	5.029	0	20	CKAD	
CCc1ccc(CN[C@H](CC)c2cccc(Cl)c2)s1	51717479	XMRJWQWZACMYJK-MRXNPFEDSA-N	293.863	5.205	0	20	CKAD	
CCO[C@H](C)c1nc(-c2ccc3ccccc3c2)cs1	437649015	HEJQRXBHOSSQQK-GFCCVEGCSA-N	283.396	5.061	0	20	CKAD	
Cc1cccc([C@H]2CCCN2C(=O)CCCC2CCCC2)c1	463194736	ZKYKYYHAYRWCEQ-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CC(C)[C@H](C)S[C@@H](C)c1ncc(-c2ccccc2)o1	463222325	NIBMCRJKDDVRMW-STQMWFEESA-N	275.417	5.180	0	20	CKAD	
CCc1cccc(C)c1NC(=O)c1cccc2ccsc12	464556950	MLILKZXLRKCFBN-UHFFFAOYSA-N	295.407	5.024	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc3cccc(F)c3o2)cc1	474101713	YQLHRHDZAVJEMX-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
CCCc1ccc(C(=O)N(c2ccccc2C)C(C)C)cc1	519230495	DBPSJZZDMKZIHN-UHFFFAOYSA-N	295.426	5.003	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2ccsc2)c1	538628849	RKTJTPSBZIDYFP-NSHDSACASA-N	263.431	5.033	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(COC3CCCC3)cc2)o1	539653235	RCDUVPXXGLVXJF-HNNXBMFYSA-N	299.414	5.220	0	20	CKAD	
CC(C)c1ccc(C(=O)Nc2ccccc2C(C)C)s1	545446546	MCCVROGPVPLXSS-UHFFFAOYSA-N	287.428	5.247	0	20	CKAD	
CC[C@H](NCc1ccoc1C)c1ccc(Cl)c(Cl)c1	675780256	VINXFNFVHXKACI-HNNXBMFYSA-N	298.213	5.136	0	20	CKAD	
CC[C@@H](NCc1cccc(Cl)c1)c1ccc(Cl)cc1	35055408	RDGCCBXUYMRHAA-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
CC(C)Sc1ccc([C@@H](C)NCc2ccsc2)cc1	236633876	VOXOCBVBJHJOQG-CYBMUJFWSA-N	291.485	5.099	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCCN2C(=O)CC2(C)CC2)cc1	428811927	WZUXHMXUONHKNE-GOSISDBHSA-N	299.458	5.054	0	20	CKAD	
C[C@@H](Sc1ccc(F)cc1F)c1ncc(C(C)(C)C)o1	476477037	RRDBNUZWLULGEV-SECBINFHSA-N	297.370	5.104	0	20	CKAD	
FC(F)c1csc(-c2ccc(Cl)cc2Cl)n1	507695765	XHARNUMANPUYCR-UHFFFAOYSA-N	280.126	5.055	0	20	CKAD	
CCC[C@@H](Nc1cccc(O[C@H](C)CC)c1)c1cccnc1	551240346	KCGAZAFEFIHVCV-DNVCBOLYSA-N	298.430	5.212	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cscn1)c1cc(C)sc1C	624011842	JVCUQXCPAKISNV-RISCZKNCSA-N	294.489	5.013	0	20	CKAD	
C[C@H](Nc1ccc(COC(C)(C)C)cc1)c1ccsc1	679062895	JCLWFVOHLQFBIC-ZDUSSCGKSA-N	289.444	5.236	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1c(CCC)cccc1C(C)C	191552406	ZYULSTLDXQBCQK-ZROIWOOFSA-N	273.420	5.057	0	20	CKAD	
CC(C)c1cccc(N[C@H](c2ccc(F)cn2)C(C)C)c1	498748736	OFKIEQACZJHQLF-SFHVURJKSA-N	286.394	5.153	0	20	CKAD	
CCSc1ccccc1[C@@H](C)NC1(c2ccccc2)CC1	539624274	KUBILLIMUDDFRH-OAHLLOKOSA-N	297.467	5.139	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)c2ccccc12)c1ccsc1	556178661	GVJZEQQGEAJUTF-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H]2CCC[C@H](C)C2)c(Cl)c1	624062484	QPPMMHGQCVDALV-FZMZJTMJSA-N	293.838	5.112	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc3ccccc3c2)c(C)s1	35252916	ZHJYWPQYQUWCMG-AWEZNQCLSA-N	295.451	5.369	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cc1	37070899	ORODHAIXWDVRNO-HUUCEWRRSA-N	279.383	5.153	0	20	CKAD	
Cc1ccccc1CSC1=Nc2ccccc2CS1	61802607	UAJHEGNRZYMMNP-UHFFFAOYSA-N	285.437	5.163	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccncc1	163614465	CKAWOLAXIFBWLJ-HNAYVOBHSA-N	282.431	5.007	0	20	CKAD	
CC(C)[C@@H](NCc1cc2cc(F)ccc2o1)c1ccccc1	462677126	DZJUJZMVYCZESM-LJQANCHMSA-N	297.373	5.059	0	20	CKAD	
C[C@@H](Sc1ccc(Cl)c(Cl)c1)c1cccnc1	463209035	HVPXMXMUBWBUSV-SECBINFHSA-N	284.211	5.242	0	20	CKAD	
Clc1sccc1CN[C@H](c1ccccc1)C1CCC1	480371661	UKXGYGGFHWXSLB-OAHLLOKOSA-N	291.847	5.033	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(Cl)c1F)c1cccs1	481031868	BFTVLNKRWVEGAB-GWCFXTLKSA-N	297.826	5.343	0	20	CKAD	
c1ccc([C@H](NCc2cc3ccccc3o2)C2CCC2)cc1	591699000	PPZGQBTXYOMBQB-FQEVSTJZSA-N	291.394	5.064	0	20	CKAD	
Cc1cc(C)c(NC(=O)[C@H](C)CC2CCCC2)c(Cl)c1	603824798	XJTNDWIXQYRONW-CYBMUJFWSA-N	293.838	5.112	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1CC2(CC2)C1	666921540	XZDSOXAZOBLLAC-UHFFFAOYSA-N	285.431	5.062	0	20	CKAD	
CCCCNC(=S)Nc1c(C(C)C)cccc1C(C)C	13841083	ASETZAPTKUTDTQ-UHFFFAOYSA-N	292.492	5.020	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)s1	20562802	UWMNSDCYRSHWJT-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
COc1ccc([C@@H](C)Nc2ccc3ccccc3c2)cc1	36952039	ONCYWBSUZMXDDJ-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
CCc1ccc([C@H](C)NCc2ccc(C(F)F)cc2)cc1	131325561	NTDRVJYAUNWHOU-ZDUSSCGKSA-N	289.369	5.037	0	20	CKAD	
Cc1ncc(CS[C@@H](C)c2ccc(Cl)cc2)s1	195727893	FNWCJWVFXYBOFQ-VIFPVBQESA-N	283.849	5.099	0	20	CKAD	
CC[C@@H](Nc1cccc(C(C)C)c1)c1ccsc1	382196401	ZWQQLIUXGRNIIT-MRXNPFEDSA-N	259.418	5.435	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C(C)C)cc32)o1	427871088	HSMLLMVCNRIGLG-RDTXWAMCSA-N	283.415	5.050	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H]1CCc2sc(Cl)cc21	517205327	STEPFKJMQUSRCA-KOLCDFICSA-N	297.876	5.110	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(CC(C)C)c1)c1ccncc1	519440926	DTVUSTXLDVTBNP-JXFKEZNVSA-N	296.458	5.082	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2cc(C)ccc2C)c1	537533607	OONPUONZEGAURI-HZPDHXFCSA-N	283.415	5.184	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2cccc(F)c2F)s1	539047187	TYRGAMZNKONCPI-MNOVXSKESA-N	295.398	5.001	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@H]2CCCC(F)(F)C2)cc1	539063049	OSBBDKOWIJMHIF-JSGCOSHPSA-N	299.430	5.027	0	20	CKAD	
Cc1ccc(N[C@H](C)c2nccc3ccccc23)c(C)c1	568615712	ZVOMGRMPASHUSO-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
Cc1occc1CN[C@H](C)c1cccc(-c2ccccc2)c1	675779316	KXXMQQIRKRPDTQ-OAHLLOKOSA-N	291.394	5.106	0	20	CKAD	
Cc1cccc(CN[C@H](C)c2csc3ccccc23)c1	730020167	ZNDVHXJVGGNEQD-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
C[C@H](c1ccccc1)c1ccc(OC(=O)OC(C)(C)C)cc1	731149825	SQFGNRBMDGEMCC-CQSZACIVSA-N	298.382	5.152	0	20	CKAD	
CCCc1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1	747815821	WVFTVLPGYNBCGV-ZDUSSCGKSA-N	286.419	5.098	0	20	CKAD	
O=C(C=C1CCCCC1)Nc1cc(C(F)F)ccc1Cl	768901268	TZOZELWFDKMARO-UHFFFAOYSA-N	299.748	5.107	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc2ccccc12)c1ccncc1	177368851	LMXXZWMHHGJXJY-MGPUTAFESA-N	290.410	5.037	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@@H](C)c2cc3ccccc3s2)c1	184350365	GJIUDBALAWWOQH-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
C[C@@H](c1ccccc1Cl)N(C)C(=O)CCCC(C)(C)C	303192584	KBSWLJBKKFUABL-ZDUSSCGKSA-N	295.854	5.076	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccc(C)c1)c1cccs1	387977248	FHFHYTLLJIECRD-CVEARBPZSA-N	273.445	5.249	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(C)c1C)c1ccccc1	522383735	MMVULKKHOMYWEM-VQIMIIECSA-N	267.416	5.105	0	20	CKAD	
C[C@@H](SCc1ccc2ccccc2n1)c1cccc(F)c1	522971941	IHIXNRJSDFUISX-CYBMUJFWSA-N	297.398	5.368	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1cnccc1C)c1ccccc1	537889504	XUFATHFQJAPUIA-OXJNMPFZSA-N	296.458	5.218	0	20	CKAD	
C[C@@H](Nc1ccc(C2CCC2)cc1)c1cc2cnccc2o1	657994473	FGNQXLAXVVZPNU-CYBMUJFWSA-N	292.382	5.268	0	20	CKAD	
CC[C@H](N[C@H]1CSCc2ccccc21)c1cccc(C)c1	671744163	MARQZPXTVMYGQX-OALUTQOASA-N	297.467	5.024	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc(SC(F)F)c2)o1	709700784	SDKSRLVPOPUGGP-JTQLQIEISA-N	283.343	5.076	0	20	CKAD	
C[C@@H](SCc1ncc(C(C)(C)C)o1)c1cccs1	737403959	MUISOOPYAYOWQL-SNVBAGLBSA-N	281.446	5.028	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)nc1)c1ccc(Cl)cc1	745018723	DXAQLZGDTPETJL-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
Cc1cc(Cl)ccc1NC(=O)c1ccc(C(C)C)cc1	1284183	ZVHMWVAGXSPPOD-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)c(C)s1	36952689	XSAQZUQOFUQLFV-WDEREUQCSA-N	295.398	5.055	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2cc3ccccc3s2)cc1	169185218	AZWMJFWZDMTROE-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CCC[C@H](N[C@H](C)c1c(F)cccc1F)c1ccsc1	443093184	LULPVPYRVXJKFT-ABAIWWIYSA-N	295.398	5.218	0	20	CKAD	
c1ccc(-c2cccc(CNC3(c4ccccc4)CC3)c2)cc1	521861917	BLERGWBEPMABCD-UHFFFAOYSA-N	299.417	5.133	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](C)c2cnn(C(C)(C)C)c2C)cc1	562056797	LBJVAPNPGWEKKR-NPQIQWPPSA-N	297.446	5.153	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)c1C	604413321	IPHTXYCIUCYQOJ-LSDHHAIUSA-N	287.834	5.369	0	20	CKAD	
CC(C)[C@H](NCc1ccsc1)c1ccc(Cl)cc1F	781641164	GEYWMZKLALZXQU-HNNXBMFYSA-N	297.826	5.028	0	20	CKAD	
C[C@@H](NC(c1cccs1)c1cccs1)c1ccccc1	37185854	PZVNNMGWOCVKSJ-CYBMUJFWSA-N	299.464	5.250	0	20	CKAD	
Cc1nc(CS[C@@H](C)c2ccccc2Cl)cs1	109087273	HYNCEPWZBYCJDP-VIFPVBQESA-N	283.849	5.099	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc(COC(C)C)cc1	180169970	UWHCXNWRUKGVLD-AWEZNQCLSA-N	289.444	5.155	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2csc(C)c2)cc1Cl	381458319	IJXYHDHTCLKZPX-LLVKDONJSA-N	295.835	5.282	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccsc1	453223063	AKCHNBGCIFGSRE-OAHLLOKOSA-N	295.398	5.101	0	20	CKAD	
Fc1ccc(-c2ccc(CNc3ccccc3)s2)cc1	513583184	WEENZQWNSLVLEW-UHFFFAOYSA-N	283.371	5.166	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(F)c1)c1ccc(Cl)s1	532222389	XKTJWOUZKVSTGW-GWCFXTLKSA-N	297.826	5.343	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccco1)c1ccc(Cl)cc1F	543799880	WYSUYYLAWZBSRB-BZNIZROVSA-N	295.785	5.120	0	20	CKAD	
O=C(CC1CCCC1)Nc1ccc(-c2ccccc2)cc1F	914734292	NDRNQIZZMYGYHN-UHFFFAOYSA-N	297.373	5.012	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)(C)C)o1	37119190	CRINIJOAACRLEC-DYVFJYSZSA-N	289.394	5.165	0	20	CKAD	
Cc1cc2nc(/C=C/C=C\c3ccncc3)sc2cc1C	447362251	DRRKOEDAIBDNFA-CIIODKQPSA-N	292.407	5.035	0	20	CKAD	
CC[C@@H](S[C@H](C)c1nc(C(C)C)no1)c1ccccc1	466980965	LYWKDNHEDSAQBV-TZMCWYRMSA-N	290.432	5.139	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)C2CCC(F)(F)CC2)c1	474045336	QFAZFORMIIUCCK-STQMWFEESA-N	297.389	5.020	0	20	CKAD	
C[C@H](N[C@@H](c1cccc(F)c1)C1CCCC1)c1ccco1	484492729	BDEBJLSZZYXQEQ-SCLBCKFNSA-N	287.378	5.001	0	20	CKAD	
O=C(CCCC1CCCCC1)N1[C@H]2CC[C@H]1c1ccccc12	526028854	ZLSGQXKVVBSIDT-OALUTQOASA-N	297.442	5.155	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H](C)c2cccc(Cl)c2)o1	538849432	CJSKVPRADUWECC-WDEREUQCSA-N	281.808	5.192	0	20	CKAD	
C/C=C(/CC)C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1	789628987	KVVZHJFPPBUGDL-WACFDSSMSA-N	299.414	5.089	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc(Cl)ccc2Cl)o1	36960028	BBENEFLGSIZEBD-MNOVXSKESA-N	298.213	5.307	0	20	CKAD	
Cc1ccc(C[C@H](C)N[C@H](C)c2cc3ccccc3o2)s1	80242331	YSFUVFPVVCZGOV-GXTWGEPZSA-N	299.439	5.085	0	20	CKAD	
CCc1c([C@@H](C)N[C@@H](C)c2ccc(C)o2)oc2ccccc12	195613729	IBZQKHVNYNDJPX-UONOGXRCSA-N	297.398	5.308	0	20	CKAD	
CCCC(CCC)[S@@](=O)[C@@H](C)c1cccc(Cl)c1	480006990	BQTKMRNYWLQEFL-SGTLLEGYSA-N	286.868	5.119	0	20	CKAD	
C[C@H](SCc1ccc(C(F)F)cc1)c1cccnc1	561742152	CQRPOCUYYFYKOW-NSHDSACASA-N	279.355	5.014	0	20	CKAD	
CC[C@H](NCc1ccc2sccc2c1)c1cccs1	582032719	VXMAFUBAALHALZ-AWEZNQCLSA-N	287.453	5.204	0	20	CKAD	
Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)c1ccsc1	669851161	WDESVNYATLVMRI-QWRGUYRKSA-N	294.489	5.048	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccsc1)c1ccccc1	37107721	NJIAKNRSOVGOAQ-QGZVFWFLSA-N	273.445	5.015	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1ccco1)c1ccccc1	37107803	SHRQXMGJBKTGFV-KBXCAEBGSA-N	271.404	5.108	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCc3sc(Cl)cc32)cc1	129582651	OVUPQAVNHXELLE-FZMZJTMJSA-N	291.847	5.048	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1cccs1	191559897	VQQCMXYIBAATAV-UHFFFAOYSA-N	287.428	5.076	0	20	CKAD	
C[C@@H](Nc1cccc2ccncc12)c1cc2ccccc2o1	387907319	UQGDJZIVBLCUIY-CYBMUJFWSA-N	288.350	5.154	0	20	CKAD	
c1ccc(C(SCc2nccs2)c2ccccc2)cc1	446944071	NSQQIDWCBLOXCQ-UHFFFAOYSA-N	297.448	5.166	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1cc2cccc(F)c2o1	474108104	VFUQVBYLEBANEJ-MNOVXSKESA-N	289.375	5.045	0	20	CKAD	
C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccc2ccccc2c1	540156732	JVVQJMCLPAMARC-CXAGYDPISA-N	289.369	5.068	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2ccccc2Cl)c1	602584628	GKRYETKWFYUEPO-OLZOCXBDSA-N	289.806	5.221	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc(F)ccc2F)c(C)s1	36921781	ISVBRUZLNHTXNJ-MNOVXSKESA-N	295.398	5.055	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccccc1F	36952024	NVJXAQUFAUXZGI-CYBMUJFWSA-N	265.331	5.152	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sccc21)c1ccc(Cl)s1	61326725	FCJSJRBXAYPVJD-ONGXEEELSA-N	297.876	5.191	0	20	CKAD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1nccs1	182759580	CNXGVCIVADJFKV-NSHDSACASA-N	286.425	5.045	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2csc(Cl)c2)c(C)s1	230407676	YTBNPIJSSLPJBP-UWVGGRQHSA-N	299.892	5.492	0	20	CKAD	
CC(C)c1ccc([C@@H](C)NCc2cccc3[nH]ccc23)cc1	315225091	FZJJTRLEHPXLAH-OAHLLOKOSA-N	292.426	5.142	0	20	CKAD	
CCC[C@@H](N[C@@H](C)CCCC(F)(F)F)c1ccsc1	426043284	NQSNXEYWKRDEPH-WCQYABFASA-N	293.398	5.300	0	20	CKAD	
CC[C@@H](NCc1ccc(C)cc1SC)c1cccs1	484624433	ZHPLZJPKAZDDFW-CQSZACIVSA-N	291.485	5.019	0	20	CKAD	
C[C@@H](SCc1ncc(C(C)(C)C)o1)c1ccc(F)cc1	500263438	TUHUARKQXDCHLV-LLVKDONJSA-N	293.407	5.106	0	20	CKAD	
CC[C@@H](C)CCC(=O)Nc1cccc(C(F)F)c1Cl	552162459	VGVZRSDXQMEABE-SECBINFHSA-N	289.753	5.042	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2cccc(C3CC3)c2)c1	556159418	GXICOFBRYFGQBJ-GJZGRUSLSA-N	295.426	5.445	0	20	CKAD	
Cc1ccc(NC(=S)Nc2cccc3ccsc23)cc1	752789529	LVJLCXVHBXTZCU-UHFFFAOYSA-N	298.436	5.019	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccs1)c1cccc(Cl)c1	21061360	PLCAOEICKPWVGN-FZMZJTMJSA-N	279.836	5.203	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCc3sc(Cl)cc32)cc1	129582427	OVUPQAVNHXELLE-RISCZKNCSA-N	291.847	5.048	0	20	CKAD	
C[C@H](Nc1csc2ccccc12)c1cccs1	495420836	LPJYWFVBFJARDT-JTQLQIEISA-N	259.399	5.136	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(F)cc1	532216183	ULCQNTRXIRKBPN-AUUYWEPGSA-N	283.390	5.018	0	20	CKAD	
Cc1cccc(N[C@H](C)c2ccc3ccccc3n2)c1C	538506675	PHYWITOPVMTCJI-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
Cc1csc(-c2cccc(N[C@@H](C)c3ccc(C)o3)c2)n1	539733799	GAILHXMPJLAROB-ZDUSSCGKSA-N	298.411	5.193	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1ccsc1	50342756	VYBFGMZWKQRZOE-IUODEOHRSA-N	289.444	5.014	0	20	CKAD	
Cc1ccc(C[C@H](C)N[C@H](C)c2cc(C)sc2C)s1	80241157	MZZITGKSMFCDNH-GXFFZTMASA-N	293.501	5.017	0	20	CKAD	
CC[C@H](N[C@H](C)c1csc(C)c1)c1ccc(C)cc1	394445514	FENGUTUIHTXJJL-PBHICJAKSA-N	273.445	5.167	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H]1CCc2sc(Cl)cc21	517205321	STEPFKJMQUSRCA-GXSJLCMTSA-N	297.876	5.110	0	20	CKAD	
CC[C@@H](N[C@H](c1cccs1)C1CC1)c1ccc(F)cc1	531942575	LQOUVMOWPHNJLN-WBVHZDCISA-N	289.419	5.079	0	20	CKAD	
C[C@@H](SCc1csc(C2CC2)n1)c1ccc(F)cc1	536090256	ISPNWEVIZCITGB-SNVBAGLBSA-N	293.432	5.154	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2ccc(CC)s2)cc1	537451303	XWQYRYQNKYZCKH-ZDUSSCGKSA-N	289.444	5.020	0	20	CKAD	
C[C@H](N[C@H]1CCc2c(F)cccc21)c1cccc(C2CC2)c1	559743463	QPQGKZNWIOKTBI-RBZFPXEDSA-N	295.401	5.041	0	20	CKAD	
CC(C)c1ccc([C@H](NCc2ccc(O)cc2)C(C)C)cc1	620879194	CDJJQYALFYLSRC-HXUWFJFHSA-N	297.442	5.003	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)C1CCCC1	658036253	ZNAVFZFAADRRQJ-SWLSCSKDSA-N	296.405	5.029	0	20	CKAD	
CC(C)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1	1284122	JZQMFVJJSZKEEV-UHFFFAOYSA-N	281.399	5.186	0	20	CKAD	
CSc1ccc(N[C@H]2CCSc3ccccc32)cc1	19906426	RIFFJXWPGHXAAH-HNNXBMFYSA-N	287.453	5.058	0	20	CKAD	
CC(C)c1ccc(NC(=O)CCc2ccco2)c(C(C)C)c1	27137520	KOLMAAYKZRPLHD-UHFFFAOYSA-N	299.414	5.098	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc(C)sc2C)s1	37122950	WVJIPAHMVMRUBI-NEPJUHHUSA-N	279.474	5.147	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@H](C)c1ccccc1F	37780619	IKEOZITWMTVQKQ-CQSZACIVSA-N	287.378	5.094	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3s2)c(C)o1	126527031	PDMRSGRXBNTEDB-OLZOCXBDSA-N	299.439	5.523	0	20	CKAD	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1ccccn1	237377882	RXOCCBCQAQJDGN-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
CC[C@H](Nc1cccc(COCC2CC2)c1)c1ccccc1	303527195	QNQGSMVPBNNJLW-FQEVSTJZSA-N	295.426	5.176	0	20	CKAD	
FC1(F)CCCC[C@@H]1CNc1ccc2ccccc2c1	381598458	FYKQYSYDPWSTCB-OAHLLOKOSA-N	275.342	5.077	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@H](C)CC(F)F)c(C(C)C)c1	413150953	VZTMDYINJBMAGC-GFCCVEGCSA-N	297.389	5.163	0	20	CKAD	
CC[C@H](Nc1ccc2cnn(C(C)C)c2c1)c1cccs1	538633843	LHSJMKYZSWKVKV-HNNXBMFYSA-N	299.443	5.242	0	20	CKAD	
C/C=C\c1ccc(NCc2ccc(SC)c(OC)c2)cc1	569285207	CRXQTFFLPNBZBR-PLNGDYQASA-N	299.439	5.062	0	20	CKAD	
CC[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1F	653791278	PHGNUUZSIALFCS-MRXNPFEDSA-N	293.332	5.004	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccc(F)cc2F)c(C)s1	36952691	XSAQZUQOFUQLFV-GHMZBOCLSA-N	295.398	5.055	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(Cl)s1	37075170	NOMPXUXFPPXTSH-BZNIZROVSA-N	291.847	5.203	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C[C@H](C)C1CC1	64778056	RGXXLPOHIXOGAK-AWEZNQCLSA-N	287.447	5.308	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1ccc(C)s1	442863246	QSKHGWPOZHGMSL-STQMWFEESA-N	291.485	5.190	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1cnccn1)c1ccc(Cl)cc1	467304644	NUYAQGAEBAWCEC-XHDPSFHLSA-N	292.835	5.076	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1cc2cccc(F)c2o1	474098159	MVFLIBFATWDZDH-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
Cc1cscc1CN[C@@H](C)c1ccc(-c2ccccc2)o1	494478188	SEQSPWSQTNWKPV-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
CC[C@H](SCc1cc(-c2ccco2)on1)c1ccccc1	507762232	QQZQVRSYGFPTEF-KRWDZBQOSA-N	299.395	5.319	0	20	CKAD	
CC(C)(C)c1ccc(NC(=O)c2sccc2C2CC2)cc1	521415094	CVSIJGGUONFKQQ-UHFFFAOYSA-N	299.439	5.175	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1sccc1C)C1CC1	532511333	YNAYFRBFGUIAGC-WMLDXEAASA-N	285.456	5.167	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1cncs1)c1cccs1	536859353	TZVPZSVNGJIBLD-XHDPSFHLSA-N	294.489	5.033	0	20	CKAD	
C[C@H](NC1(c2ccccc2)CC1)c1cccc2ccccc12	537420471	QJCUEZNNQUVIJX-INIZCTEOSA-N	287.406	5.180	0	20	CKAD	
Cc1cnc([C@H](C)SCCCc2ccc(Cl)cc2)o1	539952555	GTIFITJQSWJITP-LBPRGKRZSA-N	295.835	5.063	0	20	CKAD	
Cc1cscc1CN[C@@H](C)c1ccc(F)c2ccccc12	559844551	ZOUBNAWWGNISPJ-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
CC[C@@H](NC1(c2ccc(Cl)cc2)CC1)c1cccs1	561839652	NVTRXTSDILIECS-CQSZACIVSA-N	291.847	5.132	0	20	CKAD	
C[C@H](Nc1ccc(COC(C)(C)C)cc1)c1ccccc1	674487482	RZIKPPUOWDDRTQ-HNNXBMFYSA-N	283.415	5.175	0	20	CKAD	
Cc1cccc([C@@H]2CCCN2C(=O)C2CCCCCCC2)c1	741673281	QYDGEIPPJIFXMZ-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1ccc(C)cc1	191536572	LRJAIGWLGFKOBW-UHFFFAOYSA-N	295.426	5.323	0	20	CKAD	
Cc1ccc([C@@H](C)NC(c2ccccc2)c2ccccc2)o1	194021210	PTRLFPSLXXZPOZ-MRXNPFEDSA-N	291.394	5.028	0	20	CKAD	
CCCc1nnc(S[C@@H](C)c2cccc3ccccc23)o1	532016593	MXIUCARGDYPDNV-LBPRGKRZSA-N	298.411	5.029	0	20	CKAD	
Cc1cncc(CN[C@@H](CCCC(C)C)c2ccccc2)c1	537948796	DFBCNPOXCCXTAK-FQEVSTJZSA-N	296.458	5.047	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CCC(C)(F)F	643103627	YCBCXJPXFZNXNG-UHFFFAOYSA-N	297.389	5.307	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H]2CCc3cc(Cl)ccc32)o1	795381151	GFWLBQSPPGUJBH-YGRLFVJLSA-N	293.819	5.118	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccc(Cl)s2)c(C)s1	36992010	DPLLTLPIVIIVAJ-VHSXEESVSA-N	299.892	5.492	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccsc1)c1ccc(Cl)cc1	50341386	XUEYPKLWZUEFAG-NHYWBVRUSA-N	279.836	5.203	0	20	CKAD	
CCC[C@@H](N[C@H]1CCCOc2ccccc21)c1ccccc1	360933721	UUNMTONRGHRPDY-MOPGFXCFSA-N	295.426	5.031	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C)cc1	442716071	NVDVBYZFJXQRQM-LSDHHAIUSA-N	285.456	5.129	0	20	CKAD	
CCN(CC(C)(C)C)C(=O)Nc1c(C)cccc1C(C)C	463557600	MQYPMKZIQIOIFB-UHFFFAOYSA-N	290.451	5.018	0	20	CKAD	
C[C@@H](Sc1ccc(-c2ccccc2)cc1)c1cccnc1	524402012	QCDUBLPACSNMFR-OAHLLOKOSA-N	291.419	5.602	0	20	CKAD	
C[C@H](c1cccs1)N(C/C=C/Cl)Cc1ccccc1	746657495	FWQUFJLYCMJEFI-OAUONFCTSA-N	291.847	5.064	0	20	CKAD	
CCc1noc(C)c1[C@@H](C)Nc1cc(Cl)cc(Cl)c1	777707019	MKHRKNCABYUUQU-MRVPVSSYSA-N	299.201	5.025	0	20	CKAD	
C[C@@H](NCc1cc2ccccc2o1)c1cc2ccccc2o1	26313400	ZBCCHFYTBLRHPM-CYBMUJFWSA-N	291.350	5.030	0	20	CKAD	
CC(C)c1cccc(NC(=O)c2sccc2C2CC2)c1	49376010	ANZNKFBTCCRTSY-UHFFFAOYSA-N	285.412	5.001	0	20	CKAD	
CC[C@H](NCc1cccc2[nH]ccc12)c1cccc(Cl)c1	70938899	BJXNDEKNEDUCMI-KRWDZBQOSA-N	298.817	5.062	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1Cl)c1cc(F)cc(F)c1	94826184	FRBGPAVVPHCYQX-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1cccc(F)c1	195613800	GDHGZAFEKRQEBK-LLVKDONJSA-N	296.345	5.017	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2ccccc21)c1csc(Cl)c1	230406838	YDSPCNCBBBXDNO-IAQYHMDHSA-N	291.847	5.130	0	20	CKAD	
CC(C)[C@@H](C)S[C@H](C)c1ncc(-c2ccccc2)o1	463222322	NIBMCRJKDDVRMW-CHWSQXEVSA-N	275.417	5.180	0	20	CKAD	
c1ccc(-c2ccc(CNC3(c4ccccc4)CC3)cc2)cc1	477487579	FJJWYYXZJQVOTM-UHFFFAOYSA-N	299.417	5.133	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(Cl)c1F)c1cccs1	481031870	BFTVLNKRWVEGAB-MFKMUULPSA-N	297.826	5.343	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cccs1)c1ccc(F)cc1F	484505331	WHFPBDHZUWTMMX-XHDPSFHLSA-N	295.398	5.218	0	20	CKAD	
C[C@@H](Nc1csc2ccccc12)c1cccs1	495420837	LPJYWFVBFJARDT-SNVBAGLBSA-N	259.399	5.136	0	20	CKAD	
Cc1ccccc1S[C@H](C)c1ncc(-c2ccccc2)o1	522856045	AULGMVSHDWUVQQ-CQSZACIVSA-N	295.407	5.503	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1cscn1)c1cccs1	537966743	CJUVTGHTSLNVEV-NHYWBVRUSA-N	294.489	5.033	0	20	CKAD	
C/C=C\c1ccc(N[C@H](C)c2csc(C(C)C)n2)cc1	566027883	MJYWCSSWYJLOMW-CFHLNLSMSA-N	286.444	5.473	0	20	CKAD	
C[C@@H](Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccoc1	583746049	JRDBXRDXBKFIIP-LLVKDONJSA-N	297.320	5.293	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1ccncc1)c1ccccc1	610708227	OLGRAQLBSJFNBD-XJKSGUPXSA-N	257.402	5.027	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(-c3nc(C)c(C)o3)cc2)o1	679142429	GTHCSPXSIXRDRO-CYBMUJFWSA-N	296.370	5.033	0	20	CKAD	
CCC[C@H](CC)SCc1csc([C@@H](C)OCC)n1	477090890	RMLJCOWSGIFJKY-YPMHNXCESA-N	287.494	5.053	0	20	CKAD	
CCSc1ccccc1[C@H](C)N[C@@H](C)c1ccccc1	479866120	MFTNBMPEJXEVKM-GJZGRUSLSA-N	285.456	5.210	0	20	CKAD	
CCC[C@@H](N[C@@H](c1ncccc1C)C(C)C)c1ccccc1	483141269	GVKJSJBWPCPGLB-RTBURBONSA-N	296.458	5.218	0	20	CKAD	
C[C@@H](NC1(c2ccccc2)CC1)c1cccc2ccccc12	537420475	QJCUEZNNQUVIJX-MRXNPFEDSA-N	287.406	5.180	0	20	CKAD	
CCSc1ccc([C@H](C)NC2CCC(F)(F)CC2)cc1	540153323	DLYNNZBICHITKT-LBPRGKRZSA-N	299.430	5.027	0	20	CKAD	
c1ccc2c(c1)CC[C@@H]2SCc1cccc2cccnc12	604501697	VDFFRKFRQQUKOO-SFHVURJKSA-N	291.419	5.156	0	20	CKAD	
Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)c(Cl)c1	6272355	KVCDFTIHXIZARG-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
Cc1ccsc1CN[C@@H](C)c1ccc(C(C)C)cc1	34996123	OOXKRPHUZRKLLU-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1cccs1	36952012	CMVPBWYLDLFFMJ-LBPRGKRZSA-N	253.370	5.074	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1	37508199	TUSAOBLLHKCGRR-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
CC(C)Oc1ccccc1-c1nc(-c2ccccc2)cs1	60511074	HCPPMODBXSYCAY-UHFFFAOYSA-N	295.407	5.264	0	20	CKAD	
CCc1c([C@H](C)N[C@H](C)c2ccsc2)oc2ccccc12	61360692	DYYOTFFYPRABFY-OLZOCXBDSA-N	299.439	5.469	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(-c3ccccc3)o2)c(C)o1	237576154	ALBCUNAVBPRICC-AWEZNQCLSA-N	295.382	5.007	0	20	CKAD	
Cc1nc(CNc2c(C(C)C)cccc2C(C)C)oc1C	352541868	FATJUMQNVOSHHG-UHFFFAOYSA-N	286.419	5.150	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2ccc(C(C)C)cc2)c(C)s1	437656385	OAUGEQINUAVONQ-LBPRGKRZSA-N	289.444	5.339	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1[C@@H]2CCCC[C@@H]12	467285540	HMHMENDYWTUURH-IAGOWNOFSA-N	299.458	5.308	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc2ncsc2c1)c1ccccc1	485793327	BNXSZNWTHMGDGR-XJKSGUPXSA-N	296.439	5.098	0	20	CKAD	
Cc1csc(-c2cccc(N[C@H](C)c3ccc(C)o3)c2)n1	539733798	GAILHXMPJLAROB-CYBMUJFWSA-N	298.411	5.193	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1cccc(F)c1	556038661	QSKWDUAKHGKYTL-KBPBESRZSA-N	283.390	5.115	0	20	CKAD	
Cc1c([C@@H](C)NCc2ccc(CF)cc2)oc2ccccc12	754634043	UVBGVBJHCBLPQF-CQSZACIVSA-N	297.373	5.062	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2c(F)cccc2F)c(C)s1	37122881	UMPHQNHRDMGHEX-MNOVXSKESA-N	295.398	5.055	0	20	CKAD	
FC(F)(F)c1cc(Cl)cc(-c2ccccc2)c1	112734275	FCGUNKKTAKPJRX-UHFFFAOYSA-N	256.654	5.026	0	20	CKAD	
Clc1ccc([C@H]2CC=Cc3ccccc32)cc1Cl	114639970	ZLSPQUYRIXMVNQ-CQSZACIVSA-N	275.178	5.542	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H](C)c1ccc(Cl)s1	163286198	AVPGURZRSRQCCU-RKDXNWHRSA-N	299.789	5.173	0	20	CKAD	
CCCCCC(=O)Nc1ccc(SC(C)(C)C)cc1C	303096286	FSUKMFKIDKOMFY-UHFFFAOYSA-N	293.476	5.404	0	20	CKAD	
CCCCCN(C(=O)Nc1ccccc1F)[C@H](C)CCC	303667190	FNKGRGAGKAMRCY-CQSZACIVSA-N	294.414	5.038	0	20	CKAD	
CCc1nc(CS[C@H](C)c2cccc(C)c2)cs1	437272907	YITURERRUSCMBS-GFCCVEGCSA-N	277.458	5.008	0	20	CKAD	
Cc1c([C@H](N[C@H](C)c2ccco2)C(C)C)oc2ccccc12	482875854	SUYASPYZYDVIMC-RDTXWAMCSA-N	297.398	5.382	0	20	CKAD	
CC[C@H](N[C@H](C)c1sccc1C)c1ccc(Cl)s1	483128004	OXKFYFANUOGABG-MNOVXSKESA-N	299.892	5.573	0	20	CKAD	
CCCc1ccccc1NC(=O)[C@H](CCC)c1ccccc1	497472385	YSBCQMBYIUAJIV-GOSISDBHSA-N	295.426	5.162	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)oc1C	669702536	ONNIWDIXKPNLLX-KDOFPFPSSA-N	283.415	5.088	0	20	CKAD	
Nc1cc(Cl)c(Cl)cc1Oc1ccc(Cl)cc1	95023796	ARBXKBQHSMLRKP-UHFFFAOYSA-N	288.561	5.021	0	20	CKAD	
Fc1ccc(N[C@H](c2cccnc2)C2CCC2)cc1C1CC1	467454838	JWRNRVGJXIKAAC-IBGZPJMESA-N	296.389	5.051	0	20	CKAD	
Cc1cc(N[C@@H](C)CCC(F)(F)F)ccc1C1CC1	482291635	GCOZGHCWEUHPAC-NSHDSACASA-N	271.326	5.015	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)oc1C	502371504	HXFGBDKHCWWGGI-KBPBESRZSA-N	297.398	5.363	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)oc1C	502686114	UFQDXJAALSUHMC-UGSOOPFHSA-N	289.394	5.083	0	20	CKAD	
Cc1ccc(C)c(NC(=O)[C@H](CC(C)C)c2ccccc2)c1	525334481	YXTWJVKGMJKIRS-GOSISDBHSA-N	295.426	5.072	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)c(C)s1	36953037	VXRNRECRTADROI-GHMZBOCLSA-N	295.398	5.055	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](CC(F)F)c2ccccc2)c1	421886672	VGUFRQXXEGIVSV-WMLDXEAASA-N	289.369	5.042	0	20	CKAD	
CC[C@H](C)[C@@H](NCc1ccc(C)o1)c1ccc(Cl)cc1	462755064	TVLWAYZFVIWGDR-YVEFUNNKSA-N	291.822	5.118	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1cc(C)c(C)o1	503878934	ZVLSHYZGFCDNOF-CHWSQXEVSA-N	289.444	5.030	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)s1)c1ccc(Cl)s1	532500040	YMKKZTZEJPSTFK-QWRGUYRKSA-N	299.892	5.573	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H]2C[C@H]21	613874584	DFYVQVGIVCTOOM-KBAYOESNSA-N	299.458	5.137	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](CC(C)C)c2ccccc2)c(C)n1	678412452	UYGIGGWSIADWHY-FXAWDEMLSA-N	296.458	5.136	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1ccccc1OC(C)C	741900149	DCJBGUYTYGVHPM-HNNXBMFYSA-N	291.435	5.019	0	20	CKAD	
Cc1c(CSC(C)C)cccc1NC1CC(C(F)F)C1	768664828	ITFMWBNPSGVFLF-UHFFFAOYSA-N	299.430	5.092	0	20	CKAD	
Cc1ccc(/C=C(/Cl)c2nc3ccccc3o2)cc1C	915987254	BARLZSPLHXBNCI-GXDHUFHOSA-N	283.758	5.182	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1nc2ccccc2s1	20126273	DAKSLMCYHGEKKQ-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ccsc1	61360770	DRAMQRXWBLTHLV-ZIAGYGMSSA-N	281.424	5.313	0	20	CKAD	
Clc1cccc(-c2nc(CSCC3CCC3)co2)c1	437277669	QYVUZTPUWGRGFI-UHFFFAOYSA-N	293.819	5.028	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(C)c1C)c1ccccc1	522383733	MMVULKKHOMYWEM-LPHOPBHVSA-N	267.416	5.105	0	20	CKAD	
CCC(CC)(CC)NC(=O)Nc1ccccc1C(C)(C)C	525127439	NSXAQEUSIZBWFI-UHFFFAOYSA-N	290.451	5.074	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@H]2CCCC(F)(F)C2)cc1	539063050	OSBBDKOWIJMHIF-OCCSQVGLSA-N	299.430	5.027	0	20	CKAD	
Cc1cc(Cl)cc(C(=O)Nc2ccccc2C(C)C)c1	622293752	WQHSJSDMHSOMCE-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	748196079	YTLKYSMSYXNENS-UNJUUPHPSA-N	291.460	5.180	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc(F)ccc2F)c(C)s1	36921783	ISVBRUZLNHTXNJ-GHMZBOCLSA-N	295.398	5.055	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1cccs1	37119165	FMHVCAVSBAHOMP-MLGOLLRUSA-N	291.435	5.325	0	20	CKAD	
C[C@H](Nc1ccc(SC(C)(C)C)cc1)c1ccncc1	174041491	PBBIGMWIVKQEQL-ZDUSSCGKSA-N	286.444	5.145	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2sccc2C)cc1-c1ncco1	180008283	CBUFBRIOPJYIBU-ZDUSSCGKSA-N	298.411	5.193	0	20	CKAD	
CCCCC[C@@H](NCc1cc(C#N)cs1)c1ccccc1	236850503	SNBKNBKLMUZZQD-GOSISDBHSA-N	298.455	5.031	0	20	CKAD	
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(C)C)cc1	409696005	FNPIUKZHROPAQO-OAHLLOKOSA-N	296.414	5.001	0	20	CKAD	
Cc1nc2c(s1)[C@H](Nc1cccc(C3CCC3)c1)CCC2	462954120	YOCVOZHRIFQUHC-QGZVFWFLSA-N	298.455	5.209	0	20	CKAD	
C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccc2c(c1)COC2	494489112	VHIGAPXWZWNIGK-CQSZACIVSA-N	293.410	5.157	0	20	CKAD	
Cc1cscc1N[C@@H](C)c1sc(C(C)C)nc1C	537447987	ZMGIYTLURYRWIE-JTQLQIEISA-N	280.462	5.118	0	20	CKAD	
FC1(F)CCC(N[C@@H](c2cccs2)C2CCCC2)CC1	540148318	ZHTAYHYMNWRBQQ-OAHLLOKOSA-N	299.430	5.147	0	20	CKAD	
C[C@H](CC(=O)Nc1cccc(C(F)F)c1)CC(C)(C)C	625045352	JIIBDJNUIVPVEU-LLVKDONJSA-N	283.362	5.025	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(C3CCC3)cc2)c(C)n1	683821876	LSYMEGJRFNILPK-OAHLLOKOSA-N	280.415	5.139	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(C)s1)c1ccsc1	785562647	HSYCJCNVIKIGMI-OCCSQVGLSA-N	279.474	5.310	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)cs1	381510246	UWKXKSXCHVQEGI-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1ccc2c(c1)COC2	462945725	PFXMBQUTCVELNH-AWEZNQCLSA-N	293.410	5.157	0	20	CKAD	
Cc1c([C@H](NCc2ccsc2)C(C)C)oc2ccccc12	482157780	HVXAQIKOEZNAEA-QGZVFWFLSA-N	299.439	5.290	0	20	CKAD	
Cc1ccc(SCc2ncc(-c3ccccc3C)o2)cc1	536016712	GIVFQDUACXJCSX-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H]2CCCc3ccc(F)cc32)c1	679144417	DEDCMBRGDBTTJE-DJJJIMSYSA-N	299.389	5.023	0	20	CKAD	
CCCCc1nc(CNc2ccc3ccccc3c2)cs1	742256895	YGBWVKKJPVXBFW-UHFFFAOYSA-N	296.439	5.251	0	20	CKAD	
C[C@H](Nc1ccccc1SC1CCCC1)c1ccccn1	37123466	BRKFPXHBARIEPO-AWEZNQCLSA-N	298.455	5.289	0	20	CKAD	
CCc1ccc(NC(=O)Nc2ccccc2C(C)C)cc1	60078254	AEFDCLUMPVMDPE-UHFFFAOYSA-N	282.387	5.016	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cnc3ccsc3c2)cc1	68691373	YCSINZFKELVVCK-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2)c(C)s1	94826816	NEKRALVUGGUSIH-QWRGUYRKSA-N	295.398	5.055	0	20	CKAD	
CC[C@@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1	453184022	IZZCNCYPZBBTOQ-BLLLJJGKSA-N	275.417	5.019	0	20	CKAD	
CC(C)C[C@@H](NCc1cccs1)c1ccc(Cl)cc1	462725286	BNTZNIIVAXEZOQ-MRXNPFEDSA-N	293.863	5.279	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1sccc1C)c1ccc(F)cc1F	483234491	MGPFOTQJZKGGOC-XHDPSFHLSA-N	295.398	5.137	0	20	CKAD	
FC(F)(F)CCCCSCc1ccc2ccccc2n1	507635284	KTWAXDKEJXHGME-UHFFFAOYSA-N	299.361	5.201	0	20	CKAD	
CCSCc1cccc(N[C@@H](C)c2cccs2)c1	537535816	GUCBSQJALWHUOJ-LBPRGKRZSA-N	277.458	5.174	0	20	CKAD	
C[C@H](S[C@H](C)c1ncc(C(C)(C)C)o1)c1cccs1	747810817	YIDXDELVRAKLLY-WDEREUQCSA-N	295.473	5.589	0	20	CKAD	
CC(C)c1ccccc1NC(=O)NC1CCCCCCC1	915306038	YMJLBCALOMYFED-UHFFFAOYSA-N	288.435	5.044	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2cc3ccccc3[nH]2)c1	926084859	LFIJUYUHOVLCMB-KBPBESRZSA-N	294.398	5.048	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)cc1F	21509206	IZLIRAAZXJUPTE-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
COc1ccc2cc([C@H](C)Nc3cccc(C)c3)ccc2c1	314264125	ZBSKUKYJQPXLIK-HNNXBMFYSA-N	291.394	5.330	0	20	CKAD	
Cc1cccc(SCc2ncc(-c3cccs3)o2)c1	520969800	WHEUOZGVYUTICP-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
Cc1cccc(CN[C@H](CCCC(C)C)c2ccccc2)n1	532448012	ZZTAQTIKQMCFJW-HXUWFJFHSA-N	296.458	5.047	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(CCC(F)(F)F)cc2)o1	537513941	TYIDDVRXNMLVJF-GFCCVEGCSA-N	297.320	5.256	0	20	CKAD	
c1ccc(-c2cccc(-c3nc4cnccc4s3)c2)cc1	614441440	VJYRQDXBVQDZRY-UHFFFAOYSA-N	288.375	5.025	0	20	CKAD	
CC(C)C[C@@H](NCc1cc2ccccc2o1)c1cccs1	616029165	PMCAGVOOTMHTPU-MRXNPFEDSA-N	299.439	5.371	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)cc1C	21813782	CSYAMWWUNDEBOC-CYBMUJFWSA-N	291.341	5.078	0	20	CKAD	
CCCCc1ccc2[nH]c3ccc(CCCC)cc3c2c1	166657210	IVLLQPVDJHUHHJ-UHFFFAOYSA-N	279.427	6.006	0	20	CKAD	
C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1ccsc1	179976070	ZDGYGXKRTOKYEF-SNVBAGLBSA-N	285.334	5.026	0	20	CKAD	
CCC[C@H](Nc1cccc(C2CCC2)c1)c1cccnc1	462950351	QQOUOXQCJKQVHG-IBGZPJMESA-N	280.415	5.302	0	20	CKAD	
Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1csc(Cl)c1	530329205	HOLGJOINIBEJSV-NHYWBVRUSA-N	291.847	5.048	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)s1)c1ccc(F)cc1F	531969046	LKTCJWWJHUWXDN-IAQYHMDHSA-N	295.398	5.137	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@H](C)c2cccs2)cc1	571585384	IIEWUVPTDYWUPU-CHWSQXEVSA-N	291.485	5.272	0	20	CKAD	
CC[C@H](c1ccccc1)N(CC(C)C)C(=O)C=C1CCCC1	732037180	JKIPVYASSLJUAT-LJQANCHMSA-N	299.458	5.123	0	20	CKAD	
C[C@@H](SCCCC(=O)c1ccccc1)c1cccs1	737404674	UFULYAXNJLEVJM-CYBMUJFWSA-N	290.453	5.205	0	20	CKAD	
O=C(C=C1CCC1)Nc1ccc(Cl)cc1-c1ccccc1	785619922	HKSOLBCYOUEPEM-UHFFFAOYSA-N	297.785	5.056	0	20	CKAD	
CC(C)c1nc(Cl)c2c(-c3ccccc3)csc2n1	20546857	FTVMJNPFEUOOLK-UHFFFAOYSA-N	288.803	5.135	0	20	CKAD	
CCc1ccc([C@H](C)Nc2cccc(CC(F)(F)F)c2)o1	538639304	GPCMOEGJZIOMMC-NSHDSACASA-N	297.320	5.120	0	20	CKAD	
Cc1c(COC(C)(C)C)cccc1N[C@H](C)c1ccco1	540752646	AZRCYLPBFJGPMC-CQSZACIVSA-N	287.403	5.076	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H](C)C(C)C	733101175	DLOQVSKSTNGQDR-CYBMUJFWSA-N	293.476	5.116	0	20	CKAD	
COCc1ccc(N[C@H](C)c2cc3ccc(C)cc3o2)cc1	774487584	WISQCRUQKVTWLR-CQSZACIVSA-N	295.382	5.061	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2cccnc2Cl)cc1	776792786	QYPCPKYGLYVNPU-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sccc21)c1ccccc1Cl	61325012	CESFGTUKJDAQKY-ABAIWWIYSA-N	291.847	5.130	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1	130197420	WRBVGWLWHNFDIM-NSHDSACASA-N	295.835	5.111	0	20	CKAD	
CC(C)C[C@H](NCc1cccc2[nH]ccc12)c1cccs1	236649963	IBSORYNGEJBIDV-KRWDZBQOSA-N	298.455	5.106	0	20	CKAD	
Cc1nc(CNc2ccc(-c3ccccc3)cc2)c(C)s1	443469294	QTMJFMLRPZAMAB-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC(C)(C)c1ccc(N[C@H](c2cncc(F)c2)C2CC2)cc1	467352645	HSGGCXAQHGLZFV-SFHVURJKSA-N	298.405	5.081	0	20	CKAD	
O=C(Nc1ccc(Cl)cc1-c1ccccc1)C1CCCC1	468288617	WADSGNHWWXCMNB-UHFFFAOYSA-N	299.801	5.136	0	20	CKAD	
CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccccc1F	491261947	WLWWKWCLXLJGKQ-NVXWUHKLSA-N	289.419	5.079	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)C(C)C)c(C)c1	498051600	CLWNDNWWYIMBNC-KGLIPLIRSA-N	293.476	5.116	0	20	CKAD	
Cc1ccc(F)c(CN[C@H](CC(C)C)c2cccs2)c1	523935756	GGAXUOPUJVIRAJ-MRXNPFEDSA-N	291.435	5.073	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](CC2CC2)c2ccccc2)c1	538632522	CYWLMZDKYLQYRT-MGPUTAFESA-N	295.426	5.347	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(Cl)c2ccccc12)c1ccoc1	545200853	SPKJNZKPGBLKPY-QWHCGFSZSA-N	299.801	5.498	0	20	CKAD	
C(=C\c1nc(-c2ccccc2)cs1)\c1cccs1	612081471	KLLBNFZTHLYZEK-HJWRWDBZSA-N	269.394	5.042	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(Cl)c(Cl)c1	773116328	JJNQEZCRYJQDCN-QMTHXVAHSA-N	297.229	5.123	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1cc2[nH]ccc2cc1C	781548029	WXPINWNDVQTJTR-ZDUSSCGKSA-N	286.419	5.021	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1	21511765	SICVSQYALPIYEI-KBPBESRZSA-N	273.807	5.060	0	20	CKAD	
Cc1sc(-c2ccco2)nc1-c1ccc(Cl)cc1	25204524	IRDDKWLSPHTGHG-UHFFFAOYSA-N	275.760	5.032	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1ccccc1	126637111	KDWIHOXOZIYHHU-UONOGXRCSA-N	281.424	5.313	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@@H]3CCCc4occc43)oc2c1	495259913	OTDSTJIYWQWHOE-CZUORRHYSA-N	295.382	5.062	0	20	CKAD	
Cc1ccc(C)c(CN[C@@H](C)c2cc3ccccc3s2)c1	501354973	BHUAZZILJLMHKF-HNNXBMFYSA-N	295.451	5.369	0	20	CKAD	
COc1ccc([C@H](C)Nc2ccc(C)cc2C)cc1Cl	507458266	FKTKVWUFLPDGQJ-ZDUSSCGKSA-N	289.806	5.139	0	20	CKAD	
Cc1ncc(CS[C@H](C)c2cccc3ccccc23)s1	520992570	DGWFPRKPBFWEKJ-GFCCVEGCSA-N	299.464	5.599	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccsc1)c1ccsc1	669850951	PWHLUPSHIWFAKA-FZMZJTMJSA-N	265.447	5.002	0	20	CKAD	
Cc1nc(-c2ccc(N[C@@H]3CCC34CCCC4)cc2)oc1C	682733904	IFFOACDMMVNVLI-QGZVFWFLSA-N	296.414	5.093	0	20	CKAD	
C[C@@H](Nc1nccs1)c1ccccc1Oc1ccccc1	725793374	YNFNJAFTKFEYLV-CYBMUJFWSA-N	296.395	5.109	0	20	CKAD	
Clc1csc(CN[C@@H](CC2CC2)c2ccccc2)c1	785477098	LDJCGAKWRYWOOM-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
Cc1cc([C@H](C)Nc2nc3ccccc3s2)c(C)s1	25497930	JKMGHSIMSYJDHV-JTQLQIEISA-N	288.441	5.148	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccsc1)c1cccc(Cl)c1	50340659	CPWDOZLDSATIDH-IAQYHMDHSA-N	279.836	5.203	0	20	CKAD	
C[C@@H](N[C@@H](CC1CCCC1)c1ccccc1)c1cccnc1	90765528	BJBZILVGWBYUHB-UZLBHIALSA-N	294.442	5.054	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)c2cccc(Cl)c2)s1	437288457	QMBISMLJSWOLHR-JTQLQIEISA-N	297.876	5.408	0	20	CKAD	
Cc1ccoc1CNc1cccc(CSC(C)C)c1C	462754540	MJFAQKMBDUMOAE-UHFFFAOYSA-N	289.444	5.150	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@]1(C)CC	472670047	PXWJBLUHFRXQDB-QFBILLFUSA-N	287.447	5.137	0	20	CKAD	
Cc1c(Cl)cccc1C(=O)Nc1ccccc1C(C)C	491867706	JNHWANRZMHRGQX-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
Cc1ccccc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	512392690	XFKGKJFBRNCWOF-UHFFFAOYSA-N	295.426	5.494	0	20	CKAD	
Cc1cccc(SCc2cc(-c3cccs3)on2)c1	520702510	UYSFDAUYANCPBH-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(C(C)C)c1)c1ccncc1	527861983	FKTFWGPTYVUBCV-HNAYVOBHSA-N	282.431	5.007	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2cc3ccccc3o2)c1	538635599	CNAUOWPRXZIETR-KBPBESRZSA-N	295.382	5.313	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2ccc(C)c(C)c2)c1	538636372	SXJYXRDUYVTGOL-HZPDHXFCSA-N	283.415	5.184	0	20	CKAD	
CC(C)C[C@H](C)CC(=O)Nc1ccc(Cl)cc1Cl	589854169	TUAKMJDIJSAYEO-JTQLQIEISA-N	288.218	5.004	0	20	CKAD	
CC(C)(C)c1ncc(/C=C\c2ccc3ccccc3n2)s1	605613973	ZAZOEICKPAOKPA-KHPPLWFESA-N	294.423	5.159	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)C[C@H](C)CC(C)(C)C	674720141	ZIMJZHQPWQIUOO-NSHDSACASA-N	281.827	5.049	0	20	CKAD	
COc1ccccc1-c1nc(-c2ccc(C)cc2C)cs1	7846207	SEXPFLMNBQTDJN-UHFFFAOYSA-N	295.407	5.103	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(Cl)cc1	37075106	YMRRXIULWHLXJP-ACJLOTCBSA-N	285.818	5.142	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCCCC1)c1ccncc1	120251409	UUFBUWDCOKUIKU-OXQOHEQNSA-N	294.442	5.054	0	20	CKAD	
C[C@@H](Nc1nccc2occc12)c1cccc2ccccc12	462923266	ADMUEQSJUVFQQH-CYBMUJFWSA-N	288.350	5.154	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@@H](C)c2cscn2)cc1	515336910	ZKANMHJTHWQYBK-LBPRGKRZSA-N	274.433	5.004	0	20	CKAD	
CCC[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccsc1	525954939	PQEJGVUNVNNFEF-MAZHCROVSA-N	289.444	5.096	0	20	CKAD	
C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1	540749562	HKEQRIPOZMPDDO-LLVKDONJSA-N	296.345	5.017	0	20	CKAD	
c1cc(CSc2ccc(C3CCCCC3)cc2)on1	643099727	QNUXAEPZLZNQJL-UHFFFAOYSA-N	273.401	5.015	0	20	CKAD	
CCCc1nc(CS[C@H](C)c2cccs2)cs1	737402949	RHUYGNVOQPGKFH-SNVBAGLBSA-N	283.487	5.152	0	20	CKAD	
CC(C)CCCCCC(=O)N1CCC[C@H]1c1ccsc1	747874198	ANXFZCPLPUYQDE-INIZCTEOSA-N	293.476	5.018	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccc(F)cc1	21520342	RFAIGQZSPPOAGX-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)c1ccco1)c1cccs1	41640162	ARULPRHEWIUBEG-CRAIPNDOSA-N	297.423	5.171	0	20	CKAD	
Cc1cscc1CN[C@@H](C)c1ccc2ccccc2c1	94878261	XTUITVOHZMKFJW-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCCCCN(C(=O)Nc1cccc(C(F)F)c1)C(C)C	175909578	OETSDERDYJYDHW-UHFFFAOYSA-N	298.377	5.057	0	20	CKAD	
CC[C@@H](NCc1ccc(-c2ccccc2)o1)c1cccs1	237030989	BGCQRJSIDAQDJW-MRXNPFEDSA-N	297.423	5.249	0	20	CKAD	
CC(C)c1ccc([C@@H](C)S[C@@H](C)c2cnccn2)cc1	467298696	GAJIIIMAAISLJQ-KGLIPLIRSA-N	286.444	5.155	0	20	CKAD	
Cc1ccc(CN[C@@H](c2ccccc2Cl)C(C)C)s1	604416750	DABJCIXGKQIOHH-MRXNPFEDSA-N	293.863	5.197	0	20	CKAD	
C[C@H](SCCOC(C)(C)C)c1ccc(F)c(Cl)c1	609389300	KKYNVNPNPRWSPE-JTQLQIEISA-N	290.831	5.088	0	20	CKAD	
CC(C)C[C@H](NCc1cc2ccccc2o1)c1cccs1	616029164	PMCAGVOOTMHTPU-INIZCTEOSA-N	299.439	5.371	0	20	CKAD	
Cc1nc(SCc2ccc(-c3ccccc3)cc2)oc1C	642234051	TYDNPRMURDDTKM-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C(C)(C)C)c(C)n1	678411479	MAZHYIJFKPBIGH-LPHOPBHVSA-N	296.458	5.136	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCSc3ccccc32)c(C)c1	37128099	LVJUYPFEHSJVRV-YJBOKZPZSA-N	297.467	5.191	0	20	CKAD	
Clc1c2ccccc2c(-c2ccccc2)c2ccccc12	138278424	UXAKTVHNNKNTSV-UHFFFAOYSA-N	288.777	6.313	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1ccc(Cl)nc1	182499595	SUMNBSZLFNRFOO-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
CCCCN(C(=O)[C@H]1CC=CCC1)[C@@H](CC)c1ccccc1	303624021	XLAYCMOIXHGNHN-OALUTQOASA-N	299.458	5.123	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1	421513624	XYLWCUHDJDVCMD-BBWFWOEESA-N	299.458	5.137	0	20	CKAD	
CO[C@@H](C)c1nc(-c2ccccc2)c(-c2ccccc2)s1	426190593	QEMKYBSHSIVXBK-ZDUSSCGKSA-N	295.407	5.185	0	20	CKAD	
CC[C@H](SC)C(=O)Nc1ccc(C(C)C)cc1C(C)C	437277904	RVUUMIMZBIKGRF-INIZCTEOSA-N	293.476	5.014	0	20	CKAD	
Cc1ccoc1CN[C@H](CC(C)C)c1ccc(Cl)cc1	462720365	XDQFKMYRWKMBML-MRXNPFEDSA-N	291.822	5.118	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)NC(CC)CC	471869140	HMTMSFZYAPUXFI-UHFFFAOYSA-N	290.451	5.073	0	20	CKAD	
Cc1ccc(-c2cccnc2)cc1N[C@@H](C)c1ccccc1	479815240	DETBZDYGFFLQOJ-INIZCTEOSA-N	288.394	5.230	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H](C)c2ccc3ccccc3c2)o1	537747645	DDOUIFPVVDJVFM-ZIAGYGMSSA-N	297.423	5.692	0	20	CKAD	
C[C@@H](SCc1cnoc1C1CC1)c1ccc(Cl)cc1	538011596	VNVGPCRXKZXQGN-SNVBAGLBSA-N	293.819	5.200	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1nccc2ccccc12	572829927	YRXLYWWLQYRKRA-HNNXBMFYSA-N	298.389	5.561	0	20	CKAD	
c1ccc2c(CSCc3ncc(C4CC4)o3)cccc2c1	611166740	DHHSEGBCXDFQMK-UHFFFAOYSA-N	295.407	5.139	0	20	CKAD	
CCCCC[C@H](C)CC(=O)Nc1cccc(C(F)F)c1	742612853	IVQGKXWFGQFAGK-LBPRGKRZSA-N	283.362	5.169	0	20	CKAD	
C/C=C(/C)C(=O)Nc1ccc(Sc2ccccc2)cc1C	751360506	KUPARSSNLHIIFY-PQMHYQBVSA-N	297.423	5.051	0	20	CKAD	
Cc1cccc(NC(=S)Nc2cccc(C3CCC3)c2)c1	812259559	NGMQJNLCJODVLT-UHFFFAOYSA-N	296.439	5.071	0	20	CKAD	
CSc1ccc(N[C@@H]2CCSc3ccccc32)cc1	19906425	RIFFJXWPGHXAAH-OAHLLOKOSA-N	287.453	5.058	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2sccc2C)c(C)s1	70091286	MJEOCMMMNPZNLN-NWDGAFQWSA-N	279.474	5.147	0	20	CKAD	
C[C@@H](NCc1ccc(-c2cccs2)cc1)c1cccs1	444678041	VLTRUUSTZZOPHZ-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
Cc1cccc(N[C@H](C)c2csc(C(C)C)n2)c1C	469785842	FVORWLPDVGUQNN-CYBMUJFWSA-N	274.433	5.056	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H]1CC[C@H](c2ccccc2)C1	480212088	ZLVCZTCRTZHQQX-KBMXLJTQSA-N	299.380	5.033	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C[C@@H]1C=CCCC1	487578036	AJUHHLGUCKELRY-MRXNPFEDSA-N	299.458	5.618	0	20	CKAD	
C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccccc1F	525244272	ZQVYBEQAIQAJID-LLVKDONJSA-N	297.295	5.104	0	20	CKAD	
CCC[C@H](NCc1cc2ccccc2o1)c1ccsc1	525954979	APEJOQMNXGADNN-INIZCTEOSA-N	285.412	5.125	0	20	CKAD	
C[C@H](NC1(c2ccccc2)CC1)c1cc2ccccc2s1	527110559	DMOJZLUQPDSZBP-AWEZNQCLSA-N	293.435	5.241	0	20	CKAD	
c1ccc2c(CNc3ccc(C4CCC4)cc3)ccnc2c1	578108384	GCDFMMJTWIWDDR-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
CC(C)c1ccc(S[C@H](C)c2ccncc2)cc1	619950685	HZFUKSWZIGVBLD-CYBMUJFWSA-N	257.402	5.058	0	20	CKAD	
CC(C)c1cnc(CSCc2ccc(Cl)cc2F)o1	780342978	JORFZXFOAPRRLR-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
CC(C)(C)c1ccc(-c2cc3cc4c(cc3o2)OCO4)cc1	223157294	HESBOYMVRHYRTF-UHFFFAOYSA-N	294.350	5.126	0	20	CKAD	
CCc1ccccc1NC(=O)C[C@H](CC)c1ccc(C)cc1	303777700	KHHSDIQRBDMHOV-KRWDZBQOSA-N	295.426	5.080	0	20	CKAD	
C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1	303850717	KBGKASOGBPHZFR-NVXWUHKLSA-N	293.410	5.118	0	20	CKAD	
Cc1cc2c(cc1C)[C@@H](N[C@H](C)c1ccccc1)CCS2	427576829	GSEIZPXAKMBVQZ-QAPCUYQASA-N	297.467	5.191	0	20	CKAD	
Cc1ccc(-c2csc(/C=C/c3scnc3C)n2)cc1	463043118	MWAWSYJDQHMNHL-BQYQJAHWSA-N	298.436	5.054	0	20	CKAD	
FC(F)c1cccc(CN2[C@H]3CC[C@H]2c2ccccc23)c1	470768105	YSGODRHKROHNQE-IRXDYDNUSA-N	285.337	5.016	0	20	CKAD	
Cc1cc(N[C@H](C)CCC(F)(F)F)ccc1C1CC1	482291632	GCOZGHCWEUHPAC-LLVKDONJSA-N	271.326	5.015	0	20	CKAD	
Cc1c([C@@H](N[C@@H](C)c2ccco2)C(C)C)oc2ccccc12	482875852	SUYASPYZYDVIMC-KSSFIOAISA-N	297.398	5.382	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccsc1)c1cccc(Cl)c1F	669851169	WPFCLZJYFCXCGL-QMTHXVAHSA-N	297.826	5.343	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)C1CCCC1	751253879	CXJRCCBSIBWCQV-UHFFFAOYSA-N	291.460	5.014	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cscn1)c1cccc2ccccc12	886790642	IZFYHBBGIGLGKC-CXAGYDPISA-N	296.439	5.098	0	20	CKAD	
CCC/C=C\C(=O)Nc1ccccc1SC1CCCC1	920455251	ZCZCDPLXGLXBLY-PQMHYQBVSA-N	289.444	5.016	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1cc2ccccc2s1	126636488	KDWIHOXOZIYHHU-KGLIPLIRSA-N	281.424	5.313	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccccc1F	168750970	CYYDNWYXEANKTH-MOPGFXCFSA-N	283.390	5.018	0	20	CKAD	
Oc1ccc([C@@H]2[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1	247854237	INMSSBLNRNGVCD-AERCQKQUSA-N	286.374	5.057	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)s1)c1cccc(C)c1	311738747	XJHYYWRNVQQMGM-ZBFHGGJFSA-N	273.445	5.167	0	20	CKAD	
CC(C)(NCc1cc(Cl)ccc1Cl)c1ccccc1	388472827	QRJZJHACJCPHCR-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
CC[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccccc1	439596596	LUFSPPZVXHKDMH-INIZCTEOSA-N	293.332	5.355	0	20	CKAD	
CCc1cccnc1[C@@H](C)Nc1ccc(C2CCC2)cc1	494468231	AKBBBOSLMHWULX-CQSZACIVSA-N	280.415	5.085	0	20	CKAD	
Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(Cl)s1	498484691	OTLUGJRSOCLQRW-SMDDNHRTSA-N	291.847	5.048	0	20	CKAD	
CS[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1C(C)C	533797639	JXAWWQVFLGAFOV-ZDUSSCGKSA-N	293.476	5.014	0	20	CKAD	
Cc1sccc1CNc1cccc(CCC(F)(F)F)c1	555563582	MJUQPLVJRFIBPR-UHFFFAOYSA-N	299.361	5.164	0	20	CKAD	
CSc1ccc(N[C@H](C)c2nccc3ccccc23)cc1	562096750	JARGNRUAKKJHHO-CYBMUJFWSA-N	294.423	5.130	0	20	CKAD	
C[C@H](SCc1ccccc1C(F)(F)F)c1cccnc1	577496716	KIUGYRRGNXTWNL-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)s1)c1ccc(C)cc1	37048145	MKJRHRFMYZBGIV-GDBMZVCRSA-N	273.445	5.167	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc2ccccc12)c1nccs1	80264289	VUGFVGPXPFUHKD-GUYCJALGSA-N	296.439	5.098	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2ccc(Cl)s2)c1	130200578	VOWMWSUASAKGDY-MNOVXSKESA-N	295.835	5.282	0	20	CKAD	
C[C@H](N[C@H](C)CCCC(F)(F)F)c1cccc(Cl)c1	163218738	COUCXASHYXOTRT-MNOVXSKESA-N	293.760	5.112	0	20	CKAD	
CC[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(C)C	303261285	HTOWSLUNQJXOFJ-SNVBAGLBSA-N	288.218	5.004	0	20	CKAD	
Cc1csc(CN[C@@H](CC(C)(C)C)c2ccccc2)c1	380839325	WYMGYAYRGKNEHZ-KRWDZBQOSA-N	287.472	5.324	0	20	CKAD	
CSc1ccccc1[C@H](C)NCc1cc2ccccc2o1	440627540	TUNBWECCNLNMJE-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
C[C@@H](SCC1CCOCC1)c1ccc2ccccc2c1	609900396	ARBNSAOITBVNTE-CQSZACIVSA-N	286.440	5.061	0	20	CKAD	
C[C@H](Nc1ccc(C(=O)C(C)(C)C)cc1)c1ccccc1F	630060837	BAPPNNSXDYPGNY-ZDUSSCGKSA-N	299.389	5.228	0	20	CKAD	
FC(F)(F)Cc1ccccc1CNc1ccc(Cl)cc1	630063221	QJJAGCGFDPRYIE-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
C[C@H](N[C@@H]1CC[C@@H](C)c2ccsc21)c1ccsc1	651343742	RDNAPGUQQNTQPO-UHIISALHSA-N	277.458	5.099	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2ccc(C(C)C)cc2)s1	104308060	YECJNTWEWFFHOT-GFCCVEGCSA-N	274.433	5.056	0	20	CKAD	
CC[C@@H](N[C@H](CC(F)F)c1ccccc1)c1ccccc1	421880923	QUXUBWXFCIQQLF-IAGOWNOFSA-N	289.369	5.124	0	20	CKAD	
Cc1cccc([C@H](C)S[C@H](C)c2nc(C(C)C)no2)c1	437271644	WDMBCQRJMBNMEH-QWHCGFSZSA-N	290.432	5.057	0	20	CKAD	
CC[C@H](NCc1cc2c(C)c(C)ccc2[nH]1)c1cccs1	472064792	ULOHAXGVTYZOIW-INIZCTEOSA-N	298.455	5.087	0	20	CKAD	
CC[C@H](N[C@@H](c1ncccc1C)C(C)C)c1ccc(C)cc1	483145874	QTOJMDZNMJTEDN-RBUKOAKNSA-N	296.458	5.136	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2csc3ccccc23)s1	495396396	OMAGFIGQMNHORS-JTQLQIEISA-N	288.441	5.148	0	20	CKAD	
C[C@H](Nc1ccc(C2CC2)cc1)c1ncc(C(C)(C)C)o1	678479472	VPKYRFZFVUOBBX-LBPRGKRZSA-N	284.403	5.023	0	20	CKAD	
Cc1cc(Cl)c(NCc2ncc(C(C)C)o2)cc1Cl	751561545	BKPDEZWWRAVASR-UHFFFAOYSA-N	299.201	5.025	0	20	CKAD	
CCCCCC[C@@H](C)N[C@@H](C)c1ccc(C(F)F)nc1	850419741	HCFNOINXZFSHDL-OLZOCXBDSA-N	284.394	5.029	0	20	CKAD	
CCCCCCC(=O)Nc1c(C)cccc1C(C)C	6041961	BOCARVNPPUHQBB-UHFFFAOYSA-N	261.409	5.027	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1cccc(CSC(C)C)c1C	304054096	PFWDUYCKAGQNFV-CYBMUJFWSA-N	293.476	5.011	0	20	CKAD	
CC[C@H](Nc1cccc2ccc(C)nc12)c1ccsc1	382133984	PFSUSRJYRLJMRL-HNNXBMFYSA-N	282.412	5.168	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)C2CCC2)s1	482442439	YZZYLURKTQAWCB-KBXCAEBGSA-N	285.456	5.249	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@H](C)C(C)C)c(C(C)C)c1	497803702	HZVOUEHPFBDAOW-CQSZACIVSA-N	275.436	5.164	0	20	CKAD	
C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1cc2ccccc2o1	539084432	UIDLVAYGAWBUOB-YRVVQQKDSA-N	291.394	5.017	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(Cl)c2ccccc12)c1ccoc1	545200851	SPKJNZKPGBLKPY-CHWSQXEVSA-N	299.801	5.498	0	20	CKAD	
CCC(CC)[C@H](NCc1cccc(F)c1)c1cccs1	620760714	OAGHWSRLZWDHGC-KRWDZBQOSA-N	291.435	5.154	0	20	CKAD	
CC(C)c1cnc(CSCc2ccc(C(F)F)cc2)o1	763400167	MNLBOTMLHHFTKI-UHFFFAOYSA-N	297.370	5.169	0	20	CKAD	
CCCCN(C(=O)/C(C)=C(/C)CC)[C@@H](C)c1ccc(C)o1	779830497	WACIOMARNJSVDO-KGAUPUERSA-N	291.435	5.024	0	20	CKAD	
CCc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1	6942153	DHFQYCMUOPDOPR-UHFFFAOYSA-N	298.455	5.181	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2ccccc2C)cc1	21510620	ZZJLEQMJOWGMMS-HUUCEWRRSA-N	285.456	5.129	0	20	CKAD	
C[C@@H](Nc1cccc(Cl)c1)c1cnc2ccsc2c1	85433053	VCWZKBVFBIYOOD-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CCC[C@H](NCc1cccc(C(F)F)c1)c1ccccc1	131794744	BAXVFZDOIDPYOV-KRWDZBQOSA-N	289.369	5.255	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccc(F)c1)c1cccs1	166551358	ZFBPQSPIOWTNLM-CABCVRRESA-N	277.408	5.079	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1cccc2ccccc12	386186514	AWARWQJYDWQFMH-CYBMUJFWSA-N	297.348	5.951	0	20	CKAD	
CCC[C@@H](Nc1ccc2cnn(CC)c2c1)c1ccsc1	443100343	FKQWJLPRBBZYHW-MRXNPFEDSA-N	299.443	5.071	0	20	CKAD	
Cc1c([C@@H](C)Nc2cccc(C3CCC3)c2)cnn1C(C)C	462950377	QUXZWZBBUFSHOU-CQSZACIVSA-N	297.446	5.213	0	20	CKAD	
CC(C)CCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	497775955	OYHKGADAQAEICG-UHFFFAOYSA-N	294.609	5.022	0	20	CKAD	
CC[C@H](C)c1ccc(-c2csc([C@H](C)COC)n2)cc1	503949574	GEFQIMIVHLCTCZ-QWHCGFSZSA-N	289.444	5.074	0	20	CKAD	
CCCC[C@H](CCC)Sc1nnc(-c2ccoc2C)o1	519321349	LKITTZKWZUHWEY-LBPRGKRZSA-N	294.420	5.089	0	20	CKAD	
CC(C)(C)CCC(=O)Nc1ccccc1Cc1ccccc1	523101444	JMOQEPXTKCPKHR-UHFFFAOYSA-N	295.426	5.042	0	20	CKAD	
C[C@H](S[C@@H](C)c1cccnc1)c1ccc(Cl)cc1	524402079	WGUHOLDATXLRGT-RYUDHWBXSA-N	277.820	5.290	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2cccc(Cl)c2)c1	602584640	NJSOXUKQXLIOCG-OLZOCXBDSA-N	289.806	5.221	0	20	CKAD	
C[C@H](SCc1cccc2cccnc12)c1cccs1	737404823	IJOMUWJQBKWVJQ-LBPRGKRZSA-N	285.437	5.291	0	20	CKAD	
C[C@@H](Nc1ccccc1NC(C)(C)C)c1ccccc1F	798500282	RXQZXKLEMXJOKZ-CYBMUJFWSA-N	286.394	5.209	0	20	CKAD	
CC[C@@H](Nc1cccc(SC)c1)c1cccs1	21802217	KZVMTPFABWUUEX-CYBMUJFWSA-N	263.431	5.033	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(C(C)C)cc2)s1	44386542	HVBJWLZIYAEGRJ-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
Cc1cnc([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)s1	134899031	ATQFWSYFHPRZNH-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C1CC1)c1cccc(F)c1	166491667	ZCUITDRVGKOOHL-RBUKOAKNSA-N	283.390	5.018	0	20	CKAD	
Cc1cccc([C@H](C)Nc2ccc(N3CCCCC3)cc2)c1	315608583	UVEKIIFUKCHOHG-KRWDZBQOSA-N	294.442	5.158	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H]2CCc3c(C)cccc32)cc1	467405838	HTCDWRSPOWVCEU-LIRRHRJNSA-N	297.467	5.055	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCCCC2	477755602	OCXDOWGZSPPJKE-INIZCTEOSA-N	285.431	5.027	0	20	CKAD	
FC(F)Oc1ccc2ccccc2c1CNc1ccccc1	524678668	RKHFLSFMYOCNMA-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@@H](c1ccccc1C)C(C)(C)C	536774467	ANKMXZODSOBXID-APWZRJJASA-N	296.458	5.136	0	20	CKAD	
CC[C@@H](N[C@@H]1CCc2c(Cl)cccc21)c1cccs1	537938515	CFRPFRCTMIDIGR-HUUCEWRRSA-N	291.847	5.130	0	20	CKAD	
Cc1oc(-c2ccccc2)nc1CSCCCCCF	571349583	SVGWKHHHTIDQFO-UHFFFAOYSA-N	293.407	5.023	0	20	CKAD	
Cc1cncc([C@H](C)N[C@@H](C)c2csc3ccccc23)c1	768216483	HTEHTMOTHNZALD-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CC(C)c1nc2cc(N[C@@H](C)c3ccccc3)ccc2o1	37136860	CPPWHUFAIAYUEK-ZDUSSCGKSA-N	280.371	5.124	0	20	CKAD	
Clc1ccccc1OCc1csc(C2CCCC2)n1	63886622	YQQQASSICORNFK-UHFFFAOYSA-N	293.819	5.033	0	20	CKAD	
CC(C)C[C@H](NCc1cccc(Cl)c1)c1cccs1	521818533	XCTCZZBKWAMUEO-HNNXBMFYSA-N	293.863	5.279	0	20	CKAD	
Cc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1ccco1	532510882	GDRMLJYTQITLKF-RDJZCZTQSA-N	271.404	5.026	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)nc1)c1cc(F)ccc1F	729856587	ZYAWQPWWDNLLFJ-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1cnccc1C)c1ccccc1	772445654	BYRQUCUDDOOOMK-PXNSSMCTSA-N	296.458	5.362	0	20	CKAD	
Clc1cc(-c2csc(C3CC3)n2)c(Cl)s1	28335150	QROADSHOXWMJGL-UHFFFAOYSA-N	276.213	5.056	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccc(Cl)s2)c(C)s1	36992008	DPLLTLPIVIIVAJ-UWVGGRQHSA-N	299.892	5.492	0	20	CKAD	
Cc1cnc([C@@H](C)N[C@H](C)c2cccc3ccccc23)s1	134901217	BJBQZSUTCPUPBD-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CC[C@@H](N[C@H](C)c1csc(Cl)c1)c1cccs1	191215352	NMTPVVHVEZZCTF-MWLCHTKSSA-N	285.865	5.265	0	20	CKAD	
C[C@H](Nc1cccc(Oc2ccccc2)c1)c1cccnc1	194020770	QFHHJIFSQOCZAB-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
CC(C)(C)c1cnc(SCc2ccc(C(F)F)cc2)o1	461410991	KOONKMHZVPCSOA-UHFFFAOYSA-N	297.370	5.202	0	20	CKAD	
CSc1ccc(NCc2ccc(F)c3ccccc23)cc1	630062690	PKBVSAJMBLJAJP-UHFFFAOYSA-N	297.398	5.313	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2nc(C)sc2C)c1	678345212	ULVWCNYMIHNFSJ-JTQLQIEISA-N	292.473	5.045	0	20	CKAD	
Cc1ccc(NCc2cnc(-c3ccccc3)s2)c(C)c1	727056804	JHWHBZAQOXSEML-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1cncc(C)c1)c1ccccc1	768221760	VRONFDYERBIZPV-PXNSSMCTSA-N	296.458	5.362	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1cccs1	21027202	AQMBRVVWXXTWGR-ZIAGYGMSSA-N	281.424	5.313	0	20	CKAD	
C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1ccco1	37128588	NTDFJDDFURFPLA-ZBFHGGJFSA-N	271.404	5.108	0	20	CKAD	
c1ccc2c(c1)CCC[C@@H]2NCc1csc2ccccc12	49943199	UMWADEOUZWQAQB-SFHVURJKSA-N	293.435	5.069	0	20	CKAD	
CCCCCc1ccc(N[C@H](C)c2nccs2)cc1	86508042	VHXWVLFWLJSHCM-CYBMUJFWSA-N	274.433	5.049	0	20	CKAD	
CSc1ccccc1CN[C@@H](C)c1cc2ccccc2o1	467271217	KKUFXCMGVYPCIR-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
Cc1c([C@@H](C)Nc2ccc(C3CCC3)cc2)cnn1C(C)C	494479427	XUUOZTZSYUJIEV-CQSZACIVSA-N	297.446	5.213	0	20	CKAD	
CC[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1	523652567	LQBQEDPXHXUWKL-LJQANCHMSA-N	291.394	5.188	0	20	CKAD	
C/C=C\c1ccc(NCc2ccc(F)c3cccnc23)cc1	580003471	XFAWEVFODWCVRU-RQOWECAXSA-N	292.357	5.019	0	20	CKAD	
Cc1ccccc1N(C(=O)c1ccc(C(C)C)cc1)C(C)C	591787293	NCHIXUWKVLCPND-UHFFFAOYSA-N	295.426	5.174	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1	623850863	UFAUCXXRHHQMNS-ARFHVFGLSA-N	282.431	5.007	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1	36967381	UHEWMQBIEWYGMZ-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CC[C@H](N[C@@H]1CCCc2sccc21)c1ccccc1F	127308081	UHEZYRUUKSUDGL-JKSUJKDBSA-N	289.419	5.006	0	20	CKAD	
Cc1nc(C(C)C)oc1CSc1ccc(F)c(Cl)c1	436475686	PAIIYBRUPOCLSO-UHFFFAOYSA-N	299.798	5.191	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1sccc1C	442864592	RXIJWJWRYKEEHX-QWHCGFSZSA-N	291.485	5.190	0	20	CKAD	
COc1ccsc1[C@@H](C)Nc1cccc2ccsc12	471585691	NLMITLWILRNKIU-SNVBAGLBSA-N	289.425	5.145	0	20	CKAD	
Cc1cc(C)cc(CN[C@H](C)c2oc3ccccc3c2C)c1	518275896	WRCFBSQFZHPPIQ-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1sccc1C)c1cc(F)ccc1F	539081246	IEDMDLSIKKHMNY-XHDPSFHLSA-N	295.398	5.137	0	20	CKAD	
CC[C@H](NC1(c2ccc(F)cc2)CCC1)c1cccs1	679013707	MSAQTCGZZGZBCA-HNNXBMFYSA-N	289.419	5.007	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)c(C)s1	36992007	DPLLTLPIVIIVAJ-ZJUUUORDSA-N	299.892	5.492	0	20	CKAD	
Cc1cnc([C@@H](C)N[C@H](C)c2ccc3ccccc3c2)s1	134899066	ATQFWSYFHPRZNH-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CCC(C)(C)c1ccc(NC(=O)c2ccoc2C2CC2)cc1	410007187	PCZAFRQTONIYOO-UHFFFAOYSA-N	297.398	5.097	0	20	CKAD	
CC(C)[C@H](C)SCc1csc(-c2ccsc2)n1	463224590	XVRHORGTWIUTLY-JTQLQIEISA-N	283.487	5.149	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2ccc(C)cc2C)c1	537528225	CABIXCSMGULGSS-JKSUJKDBSA-N	283.415	5.184	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2Cl)cc1	21059261	LWBKUXAAQXJJEH-KBPBESRZSA-N	273.807	5.060	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cc(C)oc1C)c1ccccc1	37062561	VMSWZSBUZINWNJ-KSSFIOAISA-N	271.404	5.088	0	20	CKAD	
Cc1cscc1CN[C@@H](C)c1ccc(C(C)C)cc1	94877987	SNCDTMUNGRWVDN-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
Cc1ccc(CN[C@@H](c2ccccc2)C2CCCC2)s1	195719291	OYXMAWAPXBGNLN-SFHVURJKSA-N	285.456	5.078	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H]1CCc2cc(C)ccc21	442773006	BMQMIJVHTFATHC-KBXCAEBGSA-N	297.467	5.055	0	20	CKAD	
CSc1cccc(C)c1NCc1cccc(C(F)F)c1	480148427	MAJXIFBBXNQMSD-UHFFFAOYSA-N	293.382	5.267	0	20	CKAD	
O=C(C[C@@H]1C=CCCC1)Nc1ccccc1-c1cccs1	487786045	RITLHZYQABBIGO-CQSZACIVSA-N	297.423	5.100	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)c(C)o1)c1ccc(Cl)s1	502721240	FSPFAYMZPCOTBO-ZYHUDNBSSA-N	297.851	5.413	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1ccc(F)cc1F)c1cccs1	531713737	SQPLSIZDPVNXRT-GJZGRUSLSA-N	295.398	5.218	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2C)C2CC2)s1	532511198	VAUQOAPHMASHCH-KSSFIOAISA-N	285.456	5.167	0	20	CKAD	
CC(C)c1ccc(CN[C@H](C)c2ccccn2)c(C(C)C)c1	679936011	VXPMWTFGRZJHLY-MRXNPFEDSA-N	296.458	5.179	0	20	CKAD	
CC(C)C[C@H](NCc1ccc(Cl)s1)c1ccccc1	35046709	NMFOPBACXRWGSO-HNNXBMFYSA-N	293.863	5.279	0	20	CKAD	
CC(C)(C)CC(=O)Nc1ccccc1SC1CCCC1	71884830	DHJLMMSNDUSQJN-UHFFFAOYSA-N	291.460	5.096	0	20	CKAD	
Cc1ccc([C@H](C)NC(c2ccccc2)c2ccccc2)o1	194021223	PTRLFPSLXXZPOZ-INIZCTEOSA-N	291.394	5.028	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1ncc(C(C)(C)C)o1	461099928	GYQVMDMTAXBEIT-ZDUSSCGKSA-N	298.430	5.413	0	20	CKAD	
CC[C@H](SCc1ncc(C(C)(C)C)o1)c1ccccc1	507731262	LMSVCAICYYKYQT-AWEZNQCLSA-N	289.444	5.357	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1ccc2ccccc2c1	540141359	KIKFSDWLCLAXJV-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1ccc(Cl)s1	557248267	YWXRYWVWCBGCFF-MNOVXSKESA-N	299.892	5.655	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@H](C)c3ccsc3)oc2c1	669851090	UVBNXWSEYXGHGB-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
CCCCc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)cc1	678426973	LPZPDNJBSYVGQY-IRXDYDNUSA-N	296.458	5.144	0	20	CKAD	
CCCC(CCC)[S@@](=O)[C@H]1CCc2cc(Cl)ccc21	794817618	KDLQQPMQICOCBH-QFBILLFUSA-N	298.879	5.045	0	20	CKAD	
CC[C@H](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1	7608109	LBGWBDKMRZUBAR-KXBFYZLASA-N	295.426	5.072	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H](C)c2ccccc2)oc2ccccc12	37185715	WECHKIGRPHZCPR-LSDHHAIUSA-N	279.383	5.153	0	20	CKAD	
Cc1ccoc1CN[C@H](C)c1cccc(-c2ccccc2)c1	426287498	AAPZYJVTWRJGLC-MRXNPFEDSA-N	291.394	5.106	0	20	CKAD	
C[C@H](SCCCF)c1ncc(-c2ccc(Cl)cc2)o1	507638788	XUHFERGXXJFFHS-JTQLQIEISA-N	299.798	5.149	0	20	CKAD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1ccc(F)cc1	732918542	MMYVNVVZQQVBPZ-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
Cc1cccc([C@H](C)SCc2ccc(Cl)nc2)c1	742971262	OVOXKWHXTRZLGR-LBPRGKRZSA-N	277.820	5.038	0	20	CKAD	
CC(C)(C)c1ccc(C(N)c2ccc(C(C)(C)C)cc2)cc1	41485472	FYGWTACIMBEXPL-UHFFFAOYSA-N	295.470	5.330	0	20	CKAD	
C[C@H](N[C@H](C)c1cc(F)cc(F)c1)c1ccccc1Cl	94826183	FRBGPAVVPHCYQX-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Fc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1	144347477	QCLSSNYOCMHRLB-UHFFFAOYSA-N	279.289	5.062	0	20	CKAD	
C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1F	315407104	HDMWDPXONFZFPV-LLVKDONJSA-N	296.345	5.017	0	20	CKAD	
Cc1ccc(SCc2oc(C(C)C)nc2C)c(C)c1	436474557	LSDWHQWTZHWKEZ-UHFFFAOYSA-N	275.417	5.016	0	20	CKAD	
Fc1cncc([C@@H](Nc2cccc(C3CCC3)c2)C2CC2)c1	462946465	VHHMRUMFEDTEQS-IBGZPJMESA-N	296.389	5.051	0	20	CKAD	
CCC[C@H](CC)SCc1csc([C@H](C)OCC)n1	477090883	RMLJCOWSGIFJKY-AAEUAGOBSA-N	287.494	5.053	0	20	CKAD	
CC(C)OCc1cccc(N[C@H](C)CCc2ccccc2)c1	495500551	ACAOENSAIDPOTB-QGZVFWFLSA-N	297.442	5.045	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)Nc1c(C)cccc1CC	522684688	QJQPGMZHHHDPMN-OAHLLOKOSA-N	275.436	5.102	0	20	CKAD	
CC(C)(C)CCC(=O)Nc1ccccc1-c1ccccc1	523105125	BYBGPAGMHSCHCP-UHFFFAOYSA-N	281.399	5.118	0	20	CKAD	
CC[C@H](Nc1ccc(C)c(OC(F)F)c1)c1ccccc1	524457075	GLNZJEFLTWLCAK-HNNXBMFYSA-N	291.341	5.160	0	20	CKAD	
CCC(CC)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C	535612051	VOTVBGBJVCXHLW-AWEZNQCLSA-N	275.436	5.129	0	20	CKAD	
CC[C@@H](C)N(C(=O)c1cc2sccc2s1)[C@H](C)CC	547348471	RXKHTYXJVHCLAC-GHMZBOCLSA-N	295.473	5.002	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1	37508196	TUSAOBLLHKCGRR-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CCc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)s1	224739189	KXEWWQMZHULPEU-ZDUSSCGKSA-N	299.439	5.216	0	20	CKAD	
CC1(C)CC[C@H](C(=O)Nc2ccccc2-c2cccs2)C1	513715230	NESRIHNMYDHPRA-ZDUSSCGKSA-N	299.439	5.180	0	20	CKAD	
FC(F)(Br)c1ccc(C2CCCCC2)cc1	584882004	WWRFYYOZFQPCEH-UHFFFAOYSA-N	289.163	5.179	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccsc1)c1cccc(Cl)c1F	669851167	WPFCLZJYFCXCGL-HZMBPMFUSA-N	297.826	5.343	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)o1	679046557	MSRCVHTVYSHDTO-KDOFPFPSSA-N	283.415	5.034	0	20	CKAD	
C[C@@H](SC1=Nc2ccccc2C1)c1ccc(F)c(F)c1	740766701	WRKRLFWRNZTZPT-SNVBAGLBSA-N	289.350	5.045	0	20	CKAD	
C[C@@H](SCc1cccc(Cl)n1)c1ccc(F)c(F)c1	743248897	UJKDTKQHFZHGTK-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2nc3ccccc3s2)cc1	37769972	ZAHHREQIVYISEC-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C	255948540	OFGYXUVAZKRCEP-AWEZNQCLSA-N	275.436	5.308	0	20	CKAD	
CC[C@@H](Nc1cccc(SC)c1)c1ccsc1	382092028	DQWKRWJCXGCQMA-CQSZACIVSA-N	263.431	5.033	0	20	CKAD	
Fc1ccc(Cl)c(CNc2cccc(C(F)F)c2)c1	386167767	MFLSTSIWHLGDJS-UHFFFAOYSA-N	285.696	5.029	0	20	CKAD	
CCc1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)cc1	439554147	TUNVGCKLYIJHDO-CQSZACIVSA-N	292.382	5.077	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)c(C)c1	513098558	ILQHUCPTGGRZDN-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
c1ccc([C@H](NCc2ccc3sccc3c2)C2CC2)cc1	579168471	LRCXNOLDYXDFRR-IBGZPJMESA-N	293.435	5.142	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1csc(Cl)c1)CC2	682494353	RAUNAEXBBCTSKK-XHDPSFHLSA-N	291.847	5.048	0	20	CKAD	
C(=C/c1ccnc2ccccc12)\c1nc2ccccc2s1	731835521	HGMDLVYARUWNLS-MDZDMXLPSA-N	288.375	5.015	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H]2CCc3cc(Cl)ccc32)o1	795381133	GFWLBQSPPGUJBH-QMTHXVAHSA-N	293.819	5.118	0	20	CKAD	
CCCCN(C(=O)/C=C(/C)CCC)[C@@H](C)c1ccccc1	920217768	BSAAIMNXHUNEQW-BHWVZIDZSA-N	287.447	5.123	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(Cl)c1)c1cc(F)ccc1F	19232502	OMJRKZIXPFIUTM-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
CC(C)c1csc(/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)n1	83015425	MGEVMSFGBZDXON-CEDDKSNKSA-N	298.411	5.047	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)N(CC)C(C)C	189999650	IJTMNQLPLAZDHJ-UHFFFAOYSA-N	290.451	5.025	0	20	CKAD	
CC[C@H](N[C@@H](C)c1csc(Cl)c1)c1cccs1	191215304	NMTPVVHVEZZCTF-ONGXEEELSA-N	285.865	5.265	0	20	CKAD	
Cl/C(=C/c1ccsc1)c1nc2ccccc2s1	213509395	RWJOKYYYQFRDGA-JXMROGBWSA-N	277.801	5.095	0	20	CKAD	
Cc1ccc(CSCc2ccc(C(F)F)cc2)c(C)n1	478904775	BGMQZZQEEIQNHE-UHFFFAOYSA-N	293.382	5.069	0	20	CKAD	
Cc1cscc1N[C@H](C)c1sc(C(C)C)nc1C	537447988	ZMGIYTLURYRWIE-SNVBAGLBSA-N	280.462	5.118	0	20	CKAD	
Cc1cccc([C@@H](C)SCc2ncc(C(C)C)o2)c1	754250426	WPCBZQOELIYMSC-CYBMUJFWSA-N	275.417	5.101	0	20	CKAD	
c1ccc(CSc2ccccc2NCc2ccco2)cc1	770512347	IKKPITDWEPYGAS-UHFFFAOYSA-N	295.407	5.184	0	20	CKAD	
Cc1ccc(NC(=S)Nc2csc3ccccc23)cc1	778527414	DFGVHJYZBJQCAZ-UHFFFAOYSA-N	298.436	5.019	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccccc1	36967543	OFTROVUAHYNCGC-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(Cl)cc1	37075105	YMRRXIULWHLXJP-UGSOOPFHSA-N	285.818	5.142	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1	70089900	YSALJIAGUNEVPD-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
Cc1c([C@@H](C)Nc2ccc(C(C)C)cc2)cnn1C(C)C	191419672	XFFGYPUVAMVGJZ-CQSZACIVSA-N	285.435	5.069	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)C)cc1)c1ccccc1OC	315627324	XEWDSGXSRLHESY-LJQANCHMSA-N	297.442	5.060	0	20	CKAD	
CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1ccc(Cl)s1	437110788	NQNQJFIVCYKESO-BDAKNGLRSA-N	299.789	5.029	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C1CCC1	457759700	VZORVNLTJCFWNS-AWEZNQCLSA-N	287.447	5.137	0	20	CKAD	
CC[C@H](CC1CCCC1)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	527021359	GFHNZHIISNACBQ-MNEFBYGVSA-N	297.442	5.011	0	20	CKAD	
Cc1occc1CN[C@H](c1cc2ccccc2o1)C(C)(C)C	679386971	SNADCPOQJAWNOH-GOSISDBHSA-N	297.398	5.211	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)Nc1c(C)cc(C)cc1C	744348849	JSBKXSHXQJQYJE-CYBMUJFWSA-N	275.436	5.157	0	20	CKAD	
Cc1c([C@H](C)NCc2ccc(CF)cc2)oc2ccccc12	754634040	UVBGVBJHCBLPQF-AWEZNQCLSA-N	297.373	5.062	0	20	CKAD	
COc1ccc([C@H](C)Nc2cccc3ccccc23)cc1	19900866	UMWBHPUHNMRECK-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1ccoc1)c1ccccc1	94868598	UXJSPPHPLKJXRW-KDOFPFPSSA-N	271.404	5.108	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@]12CCC[C@@H]1C2	421422241	VEIDMUAFJOEEKF-KUHUBIRLSA-N	285.431	5.062	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccsc1	443093187	LULPVPYRVXJKFT-XHDPSFHLSA-N	295.398	5.218	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@@H](CC(C)C)c2ccccc2C)c1	467734231	QFLGOYCDSAHEBU-XLIONFOSSA-N	296.458	5.136	0	20	CKAD	
Cc1c([C@H](C)Nc2cccc3ccsc23)cnn1C(C)C	468878720	IPVUSMGXIYJNRS-LBPRGKRZSA-N	299.443	5.160	0	20	CKAD	
FC(F)c1cccc(CN2CCC[C@H]2c2ccsc2)c1	470724787	YTDFYEIRRJZEEV-HNNXBMFYSA-N	293.382	5.023	0	20	CKAD	
CC(C)c1cnc(CNc2ccc(C3CCC3)cc2)s1	487146570	AWMCXKYMSLINJB-UHFFFAOYSA-N	286.444	5.146	0	20	CKAD	
CSc1ccccc1[C@@H](C)NCc1coc2ccccc12	500385229	QVVQGECCLLAANB-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CCCC(C)(C)C	504416117	MRWBFYWSOIXPFZ-UHFFFAOYSA-N	275.436	5.273	0	20	CKAD	
Cc1cccc(SCc2nc(-c3ccccc3)oc2C)c1	520018523	SHLDYJXANDMCQV-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H]2CCCc3ccc(F)cc32)c1	679144415	DEDCMBRGDBTTJE-BFUOFWGJSA-N	299.389	5.023	0	20	CKAD	
Cl/C(=C/c1cscc1Cl)c1nc2ccccc2o1	771846145	ACIRAKOTXPVKAQ-WEVVVXLNSA-N	296.178	5.280	0	20	CKAD	
Oc1ccc(CNc2ccccc2SC2CCCC2)cc1	37123422	VTQAXELKFXBJQO-UHFFFAOYSA-N	299.439	5.039	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(C)c(-c3ncco3)c2)s1	180007036	XCGWRPCJPIZPGK-CYBMUJFWSA-N	298.411	5.193	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(Cl)c2Cl)o1	221783480	TWDQAUQPLHZTHW-MNOVXSKESA-N	298.213	5.307	0	20	CKAD	
Cc1ccoc1CN[C@@H](c1cc2ccccc2o1)C(C)(C)C	426309677	HPKRPRPPXJMEEP-SFHVURJKSA-N	297.398	5.211	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1csc(C)c1	453203243	AAAYXVYUVNHKJZ-CHWSQXEVSA-N	291.485	5.190	0	20	CKAD	
Cc1c(F)cccc1-c1ccc(CNc2ccccc2)o1	462681476	KAFKGRDKDVEYDK-UHFFFAOYSA-N	281.330	5.006	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cc(C)c(C)o1)c1ccccc1	502700410	VONCFSYICRVXCW-YOEHRIQHSA-N	271.404	5.088	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1cc(C)c(C)o1)C1CC1	502708849	LYIYNKMBSPNZGL-IFXJQAMLSA-N	283.415	5.007	0	20	CKAD	
Cc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1ccco1	532510879	GDRMLJYTQITLKF-DOTOQJQBSA-N	271.404	5.026	0	20	CKAD	
c1ccc([C@@H](N[C@@H]2CCCc3ccccc32)C2CCC2)cc1	591377500	PUTMPCZRHCWDBW-NHCUHLMSSA-N	291.438	5.195	0	20	CKAD	
Cc1noc(C)c1CS[C@@H](C)c1ccc2ccccc2c1	604047102	PZNIXICURYDVHM-AWEZNQCLSA-N	297.423	5.439	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1	623850864	UFAUCXXRHHQMNS-HRCADAONSA-N	282.431	5.007	0	20	CKAD	
CCCc1ccccc1NC(=O)c1ccccc1SCC	642161645	ABXWMHHBKLUJQZ-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C(C)(C)C)c(C)n1	678411478	MAZHYIJFKPBIGH-APWZRJJASA-N	296.458	5.136	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2sccc2C)c(C)s1	70091289	MJEOCMMMNPZNLN-NEPJUHHUSA-N	279.474	5.147	0	20	CKAD	
CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cc2ccc(C)cc2o1	426041427	FFXWMRLBOFZLHA-AAEUAGOBSA-N	299.336	5.123	0	20	CKAD	
C[C@H](N[C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccoc1	531682323	HGVCKZRDMXYTRO-SUMWQHHRSA-N	289.394	5.247	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2C)C(C)C)c(C)n1	678426826	JLYMGJFMICBCJO-FXAWDEMLSA-N	296.458	5.055	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1ccc(Cl)cc1)C1CC1	678996926	GQKRKJDBHUSKIS-KUHUBIRLSA-N	299.845	5.450	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](CC2CC2)c2ccccc2)c(C)o1	683693421	YHUOGRAWFXBNCS-LIRRHRJNSA-N	283.415	5.088	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2csc3ccccc23)o1	765836170	VKGOYVUZNKFOSA-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
C[C@@H](S[C@H](C)c1cccs1)c1nc2ccccc2o1	777933497	NVHGHODMRZIZQA-GHMZBOCLSA-N	289.425	5.445	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1c(CCC)cccc1C(C)C	788489286	WXMBYDDJSHBLIX-SQFISAMPSA-N	287.447	5.447	0	20	CKAD	
Clc1cccc(CNc2ccc3occc3c2)c1Cl	864017708	YHMKKHOHZOMEFO-UHFFFAOYSA-N	292.165	5.352	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)cc1F	21509209	IZLIRAAZXJUPTE-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
FC(F)c1ccc(CNc2ccc3ccccc3c2)cc1	131322486	JIGLCBVTIOYUSA-UHFFFAOYSA-N	283.321	5.390	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)cs1	437651162	OINSVERASZZHHQ-LBPRGKRZSA-N	289.444	5.205	0	20	CKAD	
Cc1cccc([C@H](N[C@@H](C)c2ccoc2)C(C)(C)C)c1	531721529	JWNMVYYQCLPBTC-YOEHRIQHSA-N	271.404	5.026	0	20	CKAD	
CSCc1ccc(N[C@H](C)c2cc(F)cc(F)c2)cc1	540835759	QVCCRMLEQCTYQG-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)o1	19917746	KZLOWRKEHQEDGR-QWRGUYRKSA-N	298.213	5.307	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc2oc(C3CC3)nc2c1	70090634	QYODRZXCIRUULN-NSHDSACASA-N	298.411	5.248	0	20	CKAD	
CC(C)(C)c1ncc(/C=C/c2ccc3ccccc3n2)s1	303828239	ZAZOEICKPAOKPA-ZHACJKMWSA-N	294.423	5.159	0	20	CKAD	
Cc1oncc1CSC(c1ccccc1)c1ccccc1	445604514	KRRDVLYADACQOW-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
COc1ccsc1[C@@H](C)Nc1ccccc1C(C)(F)F	453302288	YOVZQGRKCOMQCL-SNVBAGLBSA-N	297.370	5.042	0	20	CKAD	
c1ccc2c(CNc3ccc4scnc4c3)cccc2c1	506924107	VKNHKYFNXDWSOF-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2ccc(-c3ccncc3)cc2)c1	537409299	IDWWMWLJGBRSML-INIZCTEOSA-N	288.394	5.230	0	20	CKAD	
C[C@@H](Nc1cccc2cc[nH]c12)c1cc2ccccc2o1	579060178	UBVFPOHQSYMQFR-GFCCVEGCSA-N	276.339	5.087	0	20	CKAD	
CC[C@@H](Sc1ncnc2ccccc12)c1ccc(F)cc1	737396558	VTIMWXBYQBCXER-MRXNPFEDSA-N	298.386	5.012	0	20	CKAD	
CCC1(C(=O)Nc2ccc(SC(C)(C)C)cc2C)CC1	750186021	GXPFLVQWWFSWTG-UHFFFAOYSA-N	291.460	5.014	0	20	CKAD	
Cc1cnc(CSc2ccc(Cl)c(Cl)c2)s1	771564563	XBLMGWTURXOTEG-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccs1	48416872	CEAKXKMOKNAXCY-ZDUSSCGKSA-N	299.361	5.008	0	20	CKAD	
C[C@@H](NCc1cccc(C(F)F)c1)c1cccc(Cl)c1	131756873	IBMHIPNHDXTSHI-LLVKDONJSA-N	295.760	5.128	0	20	CKAD	
C[C@@H](Nc1ccc(-c2ccccc2)cc1)c1cccc(C#N)c1	390207676	CRFFRAOSIRLUKX-MRXNPFEDSA-N	298.389	5.398	0	20	CKAD	
CCC[C@@H](NCc1cccc(Cl)c1)c1ccsc1	443086208	NLTOVXOTOZUDTR-OAHLLOKOSA-N	279.836	5.033	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@]1(C)CC	472670049	PXWJBLUHFRXQDB-VQIMIIECSA-N	287.447	5.137	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1cccc(C(C)C)c1	480673388	QMEOGNOWBCRBJH-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
CC(C)Nc1ccccc1Oc1ncc(Cl)cc1Cl	487781996	IFNKVVDXLWIMGT-UHFFFAOYSA-N	297.185	5.001	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccccc1F)c1ccccc1	37062494	PLXIFDUJEGEKSP-RDTXWAMCSA-N	271.379	5.018	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccsc1	50340949	QTQJGRZDYRDMBP-LBPRGKRZSA-N	253.370	5.074	0	20	CKAD	
Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccsc2)c(C)c1	61360791	NKQCCKLQXXWBRI-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2csc(C(C)C)n2)s1	90049060	ZQVUPULZFQINEF-RYUDHWBXSA-N	294.489	5.048	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2csc(C(C)C)n2)s1	90049062	ZQVUPULZFQINEF-VXGBXAGGSA-N	294.489	5.048	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)cs1	381703522	HJSWQCXDRQCPPP-RHSMWYFYSA-N	273.445	5.104	0	20	CKAD	
Cc1cc(C)c(NC(=O)CC[C@@H](C)c2ccccc2)c(C)c1	441281341	FOZYNTRVFHCQLW-OAHLLOKOSA-N	295.426	5.134	0	20	CKAD	
Cc1cccc(NCc2csc(C3CCCC3)n2)c1C	444422633	YPKPNWQGANJSTI-UHFFFAOYSA-N	286.444	5.030	0	20	CKAD	
COc1ccsc1[C@H](C)Nc1cccc2ccsc12	471585690	NLMITLWILRNKIU-JTQLQIEISA-N	289.425	5.145	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccc(F)cc1F	484524056	WOYQHGCUSIDTRB-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(C)c2C)s1	531711901	QAXFHLNVKPYKHL-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
C[C@H](Nc1ccc(SC(C)(C)C)cc1)c1ccco1	777673596	MUZHEBUXVJYSLN-LBPRGKRZSA-N	275.417	5.343	0	20	CKAD	
Cc1nc(C)c(CSc2ccc(-c3ccccc3)cc2)o1	798235868	NIUAKFDWKNLMLZ-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
CSc1cccc(N[C@@H](c2ccccc2)C(F)(F)F)c1	70396712	KHLSWENQPFKZEX-AWEZNQCLSA-N	297.345	5.124	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)Nc1cc(C)ccc1C	253464586	FJWADEJVDCAAOP-UHFFFAOYSA-N	296.414	5.072	0	20	CKAD	
Cc1cc(Cl)ccc1NC(=O)CC/C=C/c1ccccc1	303868077	PWAOZXJVPCEQNS-WEVVVXLNSA-N	299.801	5.081	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccoc1	531704509	CNKAWWOYWORNHA-SJKOYZFVSA-N	289.806	5.125	0	20	CKAD	
C[C@@H](SCc1ccc(C(F)(F)F)cc1)c1cccnc1	619460497	VJXYRNSQOKUARG-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
C[C@@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1	21007728	BIZONKHIVZTHBG-SNVBAGLBSA-N	283.268	5.018	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccs1)c1ccc(Cl)cc1	21810770	BJCNDFSCBOMRHX-RISCZKNCSA-N	279.836	5.203	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccc(F)cc1	35019574	GMNOLOKYDUKTBP-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(F)cc1	61359852	PEWLMISAZIMIHI-HZPDHXFCSA-N	289.419	5.006	0	20	CKAD	
CCc1ccc([C@@H](CC)N[C@H](C)c2ccsc2)cc1	61361143	CVNDRYMXBMSBAP-CXAGYDPISA-N	273.445	5.112	0	20	CKAD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1cncc(F)c1	182759730	JHCKYKPJKWUCAT-GFCCVEGCSA-N	298.386	5.122	0	20	CKAD	
CC[C@@H](Sc1ccccc1OC)c1ccc(F)cc1	303752626	FULUOAPEWYNRTL-OAHLLOKOSA-N	276.376	5.078	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@H](C)c3ccccc3)oc2c1	425915465	HIWMSKKWTHFJJL-CABCVRRESA-N	279.383	5.153	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1	487984485	OLIQMZHTXFZKNM-FWWRYZNZSA-N	284.403	5.178	0	20	CKAD	
C[C@H](N[C@H](CC1CCC1)c1ccccc1)c1ccsc1	495412220	AMMQZLOMCYJHRW-KBXCAEBGSA-N	285.456	5.330	0	20	CKAD	
CC(C)c1ccccc1NC(=O)C[C@@H](C)c1ccccc1F	524014935	FTDDCCAGCXGMNZ-CQSZACIVSA-N	299.389	5.081	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccoc1	531704510	CNKAWWOYWORNHA-YVEFUNNKSA-N	289.806	5.125	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(COC(C)C)cc2)cc1	537426022	SUPPBBKCHLPNLD-INIZCTEOSA-N	283.415	5.093	0	20	CKAD	
CC(C)(NCc1ccccc1Cl)c1ccc(Cl)cc1	556094263	WHTWMAGHVXVBDB-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
Cc1ccc(CN[C@H](c2ccccc2Cl)C(C)C)s1	604416749	DABJCIXGKQIOHH-INIZCTEOSA-N	293.863	5.197	0	20	CKAD	
Cc1ccsc1C(=O)Nc1ccccc1-c1cccs1	49304532	YQWWDGXROGELQI-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
Cc1c([C@H](C)N[C@H](C)c2ccsc2)oc2ccccc12	61361448	KHOQYEYGDCNGEN-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
CC[C@H](N[C@H]1CCc2sc(Cl)cc21)c1cccs1	129614154	XZPXSIITRFIGNT-QWRGUYRKSA-N	297.876	5.191	0	20	CKAD	
CCCCc1nc(CNc2cccc3ccccc23)cs1	462201153	STWUFXXZQCHRFI-UHFFFAOYSA-N	296.439	5.251	0	20	CKAD	
O=C(Nc1ccc(Cl)cc1-c1ccccc1)C1=CCCC1	468294642	KDROWGSUSGBFLI-UHFFFAOYSA-N	297.785	5.056	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1cc2cccc(F)c2o1	474098156	MVFLIBFATWDZDH-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2ccc(-c3ccccc3)o2)s1	480741598	UHJNRAXJCKXHAB-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
Cc1ccc(F)c(CN[C@@H](CC(C)C)c2cccs2)c1	523935755	GGAXUOPUJVIRAJ-INIZCTEOSA-N	291.435	5.073	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1cnccc1C)c1ccccc1	537889506	XUFATHFQJAPUIA-OXQOHEQNSA-N	296.458	5.218	0	20	CKAD	
Cc1ccc(CNc2ccc(COC3CCCC3)cc2)cc1	606914510	MJUWLAOABSODIQ-UHFFFAOYSA-N	295.426	5.066	0	20	CKAD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1ncc(C(C)(C)C)o1	678479471	VPKYRFZFVUOBBX-GFCCVEGCSA-N	284.403	5.023	0	20	CKAD	
Cc1nc(-c2c(-c3ccccc3)[nH]c3ccccc23)cs1	7763262	CQGHNHSSIYDHMD-UHFFFAOYSA-N	290.391	5.267	0	20	CKAD	
c1csc(SCc2csc(-c3cccs3)n2)c1	303687733	OLJFGKDUCTUJLI-UHFFFAOYSA-N	295.479	5.225	0	20	CKAD	
FC(F)c1cccc(NC/C(Cl)=C/Cl)c1Cl	309609917	ZEFPFTPMPPOXDY-XQRVVYSFSA-N	286.536	5.009	0	20	CKAD	
Cc1cc2cc(N[C@H](C)c3ccc(Cl)cc3)ccc2[nH]1	500300034	VVPNRHALRTXBTC-GFCCVEGCSA-N	284.790	5.303	0	20	CKAD	
Cc1occc1SCc1csc(-c2cccs2)n1	508181110	WDKGTHRNOHTKEO-UHFFFAOYSA-N	293.438	5.065	0	20	CKAD	
C[C@H](N[C@H](CC1CC1)c1ccccc1)c1ccccc1F	608376085	IGKIYLNYTHAJQL-IFXJQAMLSA-N	283.390	5.018	0	20	CKAD	
CC(C)(C)OCc1ccc(N[C@H]2CCCc3occc32)cc1	683691824	AXZGPBOLRULPNL-KRWDZBQOSA-N	299.414	5.084	0	20	CKAD	
Clc1cc(CS[C@H]2CCCc3ccccc32)ccn1	726430982	IAUZOHKHAWLKDZ-HNNXBMFYSA-N	289.831	5.046	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc3c(s2)CCC3)s1	765305798	QOAAWUNDSGIKOY-VXGBXAGGSA-N	291.485	5.019	0	20	CKAD	
CCCc1ccc(N[C@H](C)c2ccc(C(C)(C)O)cc2)cc1	863988845	GNCQOZFTDZMVPP-OAHLLOKOSA-N	297.442	5.040	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1cccc(Cl)c1	21030540	FREHKEOEXWAXDY-KGLIPLIRSA-N	273.807	5.060	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2csc(C(C)C)n2)s1	90049058	ZQVUPULZFQINEF-NWDGAFQWSA-N	294.489	5.048	0	20	CKAD	
CSc1ccccc1CN[C@H](C)c1cc2ccccc2o1	442890626	KKUFXCMGVYPCIR-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(Cl)c2ccccc12)c1ccco1	462846484	VOMIJIPDHIHHTA-OLZOCXBDSA-N	299.801	5.498	0	20	CKAD	
CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccsc2)cc1	523160122	NCDLCCSVRYSBEX-ZDUSSCGKSA-N	287.428	5.004	0	20	CKAD	
CC[C@H](S[C@@H](C)c1cccnc1)c1ccc(F)cc1	575899488	ADUWNYWHWJKFEQ-LRDDRELGSA-N	275.392	5.166	0	20	CKAD	
Cc1ccc2oc(CN[C@H](C)c3ccccc3Cl)cc2c1	583291858	JAKHZJFJDHVFES-CYBMUJFWSA-N	299.801	5.245	0	20	CKAD	
C[C@@H](SCc1ccc2ncccc2c1)c1cccs1	769848717	VUSVPQDCHGVUHL-GFCCVEGCSA-N	285.437	5.291	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(C)s1)c1ccsc1	785562649	HSYCJCNVIKIGMI-TZMCWYRMSA-N	279.474	5.310	0	20	CKAD	
CCCc1ccc(NC(=O)c2ccccc2SCC)cc1	917515170	KHCDWKFLYCOXQX-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
Clc1ccc2c(c1)oc1ccc(Br)cc12	1875251719	QCGWGYFVRUSBRM-UHFFFAOYSA-N	281.536	5.002	0	20	CKAD	
CCc1c([C@@H](C)N[C@H](C)c2cccs2)oc2ccccc12	22152080	IFMXOSGNJACVCM-CHWSQXEVSA-N	299.439	5.469	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1	35014354	YECZANTVFVASAC-SCLBCKFNSA-N	285.818	5.142	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(Cl)cc2Cl)cc1	37770085	RBPKQFSXEISECK-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
Cc1c(-c2ccccc2)[nH]c2c1ccc1ccccc12	38276853	BSVJIBSRANQDLM-UHFFFAOYSA-N	257.336	5.297	0	20	CKAD	
C[C@H](S[C@@H](C)c1cnccn1)c1ccc2ccccc2c1	185547498	HWWQXKFTNALGAD-KBPBESRZSA-N	294.423	5.185	0	20	CKAD	
C[C@H]1CCC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1	303850718	KBGKASOGBPHZFR-RDJZCZTQSA-N	293.410	5.118	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](CC(F)F)c2ccccc2)c1	421886667	VGUFRQXXEGIVSV-PBHICJAKSA-N	289.369	5.042	0	20	CKAD	
CCC[C@H](N[C@@H](CC)c1cccs1)c1ccsc1	443094461	PBBZAUGJCACCIK-KBPBESRZSA-N	279.474	5.392	0	20	CKAD	
CC[C@@H](NCc1cc(C)ccc1C)c1ccc(Cl)s1	512245362	VWNDYJPBCDWLEL-CQSZACIVSA-N	293.863	5.259	0	20	CKAD	
C/C=C\c1ccc(N[C@H](c2ccc(F)cn2)C(C)C)cc1	574228784	GCUMVVDSMLJKCJ-XDXAGZTOSA-N	284.378	5.063	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)c1ccco1	607439709	LDZIWBBGLWDKJU-AWEZNQCLSA-N	299.414	5.269	0	20	CKAD	
Clc1ncccc1CS[C@H]1CCCc2ccccc21	727055164	QKTUMVIHYCFSJR-HNNXBMFYSA-N	289.831	5.046	0	20	CKAD	
FC(F)=C(F)CCSC1CCC(C(F)(F)F)CC1	863345317	SUQWGHNVTAYSSP-UHFFFAOYSA-N	292.288	5.308	0	20	CKAD	
CCCCCCC(=O)Nc1ccccc1-c1cccs1	888881907	NGXNEORFTXABKZ-UHFFFAOYSA-N	287.428	5.324	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1ccccc1C	440623010	VKFJAYJVGCZHIC-GJZGRUSLSA-N	285.456	5.129	0	20	CKAD	
CC[C@H](Nc1ccc(CC(F)(F)F)cc1)c1cccs1	537452507	UJUSCZQERQJUNB-ZDUSSCGKSA-N	299.361	5.416	0	20	CKAD	
C[C@@H](Nc1ccc(C2CCC2)cc1)c1cccnc1Cl	786970899	XKEKFWFCXBZZRQ-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
C[C@@H](NCc1cccc(Cl)c1)c1cccc2ccccc12	21500102	WTZVQBBOXDSDHA-CQSZACIVSA-N	295.813	5.344	0	20	CKAD	
CC(C)[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1	36967371	JTQUEKHPVPLASS-PKOBYXMFSA-N	297.467	5.210	0	20	CKAD	
Cc1ncc(CSCc2cccc3ccccc23)s1	195737023	JWGRHLUVKFLJAJ-UHFFFAOYSA-N	285.437	5.038	0	20	CKAD	
C[C@H](c1cccs1)N(C)Cc1cccc2ccccc12	302876478	OWKFBZXLWVOMNH-CQSZACIVSA-N	281.424	5.094	0	20	CKAD	
CCC[C@H](NCc1ccsc1Cl)c1ccccc1	312571056	IQMPYMSXFDFIJJ-AWEZNQCLSA-N	279.836	5.033	0	20	CKAD	
COCc1cccc(N[C@H](C)c2oc3ccccc3c2C)c1	315546740	LBAXLGMXHIMESJ-CQSZACIVSA-N	295.382	5.061	0	20	CKAD	
C[C@H](Nc1ccc(COC(C)(C)C)cc1)c1cccs1	679062321	FIYBICYWSFFSBM-ZDUSSCGKSA-N	289.444	5.236	0	20	CKAD	
CCCCN(C(=O)/C=C(\C)C1CC1)[C@@H](CC)c1ccccc1	734102656	ILQNXVSZWZDKIN-VVLLFNJHSA-N	299.458	5.123	0	20	CKAD	
CCCCC[C@@H](CC)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	775754334	UWXVQCPXTAVDDR-JLSDUUJJSA-N	285.431	5.011	0	20	CKAD	
CCCC[C@H](C)N(C)C(=S)Nc1ccc(C(C)C)cc1	811718992	AHXTUFXCVKUOQK-AWEZNQCLSA-N	292.492	5.017	0	20	CKAD	
CSc1cccc(NCc2ccc(C(F)(F)F)cc2)c1	21015455	BDPZQKBITZKVHY-UHFFFAOYSA-N	297.345	5.039	0	20	CKAD	
Cc1ccc(C)c(Nc2cccc(C(F)(F)F)c2)c1	91363888	SWUBPLNGYDBIAV-UHFFFAOYSA-N	265.278	5.066	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccccc1	96497045	KBWPOVSAUZHFTQ-APWZRJJASA-N	267.416	5.105	0	20	CKAD	
Cc1ccccc1[C@@H](C)Nc1cccc(C(F)F)c1	386223987	KNKFVXLYGQCMHD-GFCCVEGCSA-N	261.315	5.106	0	20	CKAD	
CC[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccsc1	394299111	QUZPLIIIDJOTEF-ZDUSSCGKSA-N	285.334	5.330	0	20	CKAD	
CCC[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccsc1	443093277	YLAJLKRDWWUWKD-GDBMZVCRSA-N	291.485	5.392	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1F)C1CCCC1)c1ccco1	484622474	SGTRNWLMXUXMNG-ACJLOTCBSA-N	287.378	5.001	0	20	CKAD	
C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(C2CC2)c1	551013492	CJYNSGBHQCNPPQ-RNODOKPDSA-N	295.401	5.041	0	20	CKAD	
C/C=C/c1ccc(NCc2nc3ccc(F)cc3s2)cc1	577438545	QBVDCQUKRHEKAG-NSCUHMNNSA-N	298.386	5.081	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1	623850866	UFAUCXXRHHQMNS-XHSDSOJGSA-N	282.431	5.007	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)cc1Cl	773116860	HQXFJXFXJKXDSZ-IINYFYTJSA-N	297.229	5.123	0	20	CKAD	
C/C(=C/Cl)CSCc1nc(-c2ccsc2)oc1C	797811880	DGWZKFAZMADKRR-UITAMQMPSA-N	299.848	5.087	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](CC(F)F)c2ccccc2)cc1	421891170	YMPJHFKSMFWMGP-RHSMWYFYSA-N	289.369	5.042	0	20	CKAD	
CO[C@@H](C)c1nc(CSCCCC2CCCC2)cs1	480422455	UJZXPVVLYXTVIA-LBPRGKRZSA-N	299.505	5.054	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@H](C)CC	480531927	UAPHNDQUANGBTF-CQSZACIVSA-N	275.436	5.137	0	20	CKAD	
CCc1ccc(CNc2cccc(C(C)(F)F)c2)s1	548036134	UZSBGRWWIXDLSO-UHFFFAOYSA-N	281.371	5.034	0	20	CKAD	
CCCCCN(C(=O)[C@@H](C)c1ccsc1)[C@@H](C)CCC	606183603	HNHLLPMIOMYXLK-GJZGRUSLSA-N	295.492	5.059	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1ccc(F)cc1F)c1ccccc1	606467384	HGZKWUFAUHZLRZ-QZTJIDSGSA-N	289.369	5.157	0	20	CKAD	
C[C@H](SC1=N[C@H](C)CS1)c1cccc2ccccc12	766298866	NPFDYURZQFRHGC-NEPJUHHUSA-N	287.453	5.125	0	20	CKAD	
CC[C@@H](C)Oc1ccc(N[C@@H](C)c2ccc(C)nc2C)cc1	776867962	FOKMCCUCQUDRET-ZBFHGGJFSA-N	298.430	5.049	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)s1)c1ccc(C)cc1	37048142	MKJRHRFMYZBGIV-HOCLYGCPSA-N	273.445	5.167	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2nc3ccccc3s2)cc1	37769973	ZAHHREQIVYISEC-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccccc1Cl	51100024	MZSYPLUQAJVCNS-BDJLRTHQSA-N	291.847	5.203	0	20	CKAD	
Cc1nc2cc(N[C@@H](C)c3cc4ccccc4o3)ccc2o1	314005632	FCUQMWQYBYKACG-NSHDSACASA-N	292.338	5.056	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1cccs1	386259881	VDHYDTVGIMIAEB-SNVBAGLBSA-N	259.399	5.136	0	20	CKAD	
CCc1cccc(C)c1NC(=O)c1ccc(C2CCC2)cc1	479630036	SPARPDADAPWJSC-UHFFFAOYSA-N	293.410	5.077	0	20	CKAD	
CCC[C@H](C)CC(=O)Nc1cccc(C(F)F)c1Cl	543502698	GIXHYOGGNAEXEF-VIFPVBQESA-N	289.753	5.042	0	20	CKAD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1ccncc1F	551296436	JZXONLBPTGQPEU-GFCCVEGCSA-N	298.386	5.122	0	20	CKAD	
C[C@H](SCCC(F)(F)F)c1cccc(Cl)c1	610137291	OOPWACOAUVEIKR-QMMMGPOBSA-N	268.731	5.087	0	20	CKAD	
Cc1nc(-c2ccc(N[C@H](C)c3ccsc3)cc2)oc1C	679144076	WQSGOQHDQYZYDO-GFCCVEGCSA-N	298.411	5.193	0	20	CKAD	
C[C@@H](Nc1ccccc1CC(F)(F)F)c1ccccc1F	679153110	OPFNXQHMVDUTDF-LLVKDONJSA-N	297.295	5.104	0	20	CKAD	
CCC[C@@H](N[C@H](CCC)c1ccccn1)c1ccsc1	682376261	IBWMSLFBLJDHDS-NVXWUHKLSA-N	288.460	5.115	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2C(F)(F)F)o1	36960022	XMYBKBRAUPNNOC-RYUDHWBXSA-N	297.320	5.019	0	20	CKAD	
N#C/C(=C\c1ccc(Cl)s1)c1ccc2ccccc2n1	53108113	CMEJCTVHMGIWIC-FMIVXFBMSA-N	296.782	5.014	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(Cl)ccc32)s1	155872819	BGFSBKVDPGZQOE-IAQYHMDHSA-N	291.847	5.048	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](CC(C)C)c2ccccc2)cs1	381745501	MRYJMRXQGWLXKW-MAUKXSAKSA-N	287.472	5.495	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)c2cccc(Cl)c2)s1	437288467	QMBISMLJSWOLHR-SNVBAGLBSA-N	297.876	5.408	0	20	CKAD	
Cc1ccc(C)c(CNc2cccc(CC(F)(F)F)c2)c1	462175870	KXZJLGAKXMAEKM-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)CC/C=C\c2ccccc2)c1	474988670	CFMBZVPQBKXEGP-UITAMQMPSA-N	299.801	5.081	0	20	CKAD	
CC(C)CC1(C(=O)N2[C@H]3CC[C@H]2c2ccccc23)CCCC1	478054833	SUEUKZUUVSYMMW-ROUUACIJSA-N	297.442	5.011	0	20	CKAD	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCCC(C)(C)C	504382340	SYKKUGAIQMYDGK-ZDUSSCGKSA-N	295.854	5.076	0	20	CKAD	
Cc1ccc(C)c(N[C@H](C)c2ccc3ccccc3n2)c1	540819491	FSCBIMFLGRLWSC-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccccc1F	630058177	GWKWMJYILWAUSF-SECBINFHSA-N	299.723	5.590	0	20	CKAD	
CCCCCCSc1nnc(-c2ccc(C)cc2C)o1	727268013	DWOVYWRGRCSEQL-UHFFFAOYSA-N	290.432	5.026	0	20	CKAD	
Cc1cc(CNc2ccc3occc3c2)ccc1Cl	864017496	NGKDZDJTQGNZAU-UHFFFAOYSA-N	271.747	5.007	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1ccccc1F)c1cccs1	163606118	OBRHCAZZHASKGJ-GJZGRUSLSA-N	277.408	5.079	0	20	CKAD	
C[C@@H](Sc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1	303173443	JCLXBBQQEZIZEF-SNVBAGLBSA-N	298.329	5.264	0	20	CKAD	
CCC[C@@H](N[C@H]1CSc2ccccc21)c1ccsc1	443094584	CZOMXZPBCLDMBQ-CABCVRRESA-N	289.469	5.026	0	20	CKAD	
C[C@H](NC1(c2ccccc2)CCC1)c1csc(Cl)c1	468879263	HSJUQEKJVVWSKK-LBPRGKRZSA-N	291.847	5.132	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2sccc2C)c1	482653705	YZZOAPSSGMJWDU-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
Cc1cccc(C)c1NC(=O)Nc1ccc(C2CCC2)cc1	486766013	INXNNLLTVOKAIB-UHFFFAOYSA-N	294.398	5.215	0	20	CKAD	
C[C@@H](NC(C)(C)c1cccs1)c1ccc(F)c(Cl)c1	541638361	BGICRTQBNXEYEG-SNVBAGLBSA-N	297.826	5.127	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)c2ccccc12)c1cccs1	550612579	OBESCPFIJGCUCD-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
CCC[C@H](N[C@H](CCC)c1ccsc1)c1ccccn1	682376263	IBWMSLFBLJDHDS-WBVHZDCISA-N	288.460	5.115	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2ccc(N3CCCCC3)cc2)o1	776796666	SKMVOOZQSBZFTE-OAHLLOKOSA-N	298.430	5.005	0	20	CKAD	
c1csc(CNc2ccc(-c3ccsc3)cc2)c1	813791363	AQQZMLAAPFJJGQ-UHFFFAOYSA-N	271.410	5.089	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1cccc(F)c1	36952086	IRIKGNXJLVABKF-ZDUSSCGKSA-N	265.331	5.152	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2ccc(Cl)s2)c1	130200366	VOWMWSUASAKGDY-WDEREUQCSA-N	295.835	5.282	0	20	CKAD	
CCC[C@@H](CC)S[C@@H](C)c1nnc(-c2cccs2)o1	477037917	RNGWEDQYGYKYPB-WDEREUQCSA-N	296.461	5.171	0	20	CKAD	
CS[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	512344666	YHRCZPZUTVFGMZ-SSDOTTSWSA-N	288.199	5.072	0	20	CKAD	
FC1(F)CCC[C@H](N[C@H](c2cccs2)C2CCCC2)C1	536843477	CQCZLIYFAOENFZ-ZFWWWQNUSA-N	299.430	5.147	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccc(F)cc1	550996024	OOPRERLTRASYBE-KBPBESRZSA-N	283.390	5.115	0	20	CKAD	
C[C@H](SCc1cccc(Cl)n1)c1ccccc1Cl	743248975	ZKAHERYJFDBXAY-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
Cc1ccc(CNc2ccc(C(C)(C)C(F)(F)F)cc2)o1	428533523	DQXDWHJRVPCHMG-UHFFFAOYSA-N	297.320	5.040	0	20	CKAD	
CSCc1ccc(N[C@@H](C)CCCC(F)(F)F)cc1	480309347	JWTGRIKZSKWKDC-NSHDSACASA-N	291.382	5.083	0	20	CKAD	
Cc1c([C@H](NCc2cccs2)C(C)C)oc2ccccc12	482160627	UDAUCMGPQDXQEG-QGZVFWFLSA-N	299.439	5.290	0	20	CKAD	
Clc1cccc(SCc2nc3ccccc3s2)c1	522391461	ZWVOHGCDGDMKOQ-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCSc3ccccc32)c(C)c1	37128097	LVJUYPFEHSJVRV-MAUKXSAKSA-N	297.467	5.191	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sccc21)c1ccc(Cl)cc1	61324948	LLRPMOXQMSZKOP-NHYWBVRUSA-N	291.847	5.130	0	20	CKAD	
CCCc1ccc([C@@H](C)N[C@@H](C)c2ccsc2)cc1	61360721	KGFHKJOBUVKBBD-KGLIPLIRSA-N	273.445	5.112	0	20	CKAD	
Cc1ccc(NCc2cc3ccccc3nc2Cl)c(C)c1	302799554	QCIGMODSLKZOQH-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)c2ccc(F)c(F)c2)s1	437279276	WPNSVZBPJZIRSM-SECBINFHSA-N	299.411	5.033	0	20	CKAD	
C[C@H](Sc1cccc2cccnc12)c1cccc(F)c1	502828314	QBWFUGGIMMWBMX-LBPRGKRZSA-N	283.371	5.227	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1csc(Cl)c1)CC2	682494351	RAUNAEXBBCTSKK-NHYWBVRUSA-N	291.847	5.048	0	20	CKAD	
CC(C)c1cnc(CSc2ccc3ccccc3c2)o1	733208042	XFFOETNDFGIANT-UHFFFAOYSA-N	283.396	5.244	0	20	CKAD	
C[C@H](Nc1ccc(C2CCC2)cc1)c1cccnc1Cl	786970900	XKEKFWFCXBZZRQ-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ccco1	14473663	KTJOVZRHMHQLFS-UHFFFAOYSA-N	299.414	5.098	0	20	CKAD	
Cc1cccc(N[C@H](C)c2ccc(OC(F)F)cc2)c1C	21818490	YWLWVKCGSOHWHM-CYBMUJFWSA-N	291.341	5.078	0	20	CKAD	
C[C@@H](Nc1ccc(SC2CCCC2)cc1)c1ccncc1	37085909	QVXIGCJXJJPBDE-CQSZACIVSA-N	298.455	5.289	0	20	CKAD	
C[C@@H](Nc1ccc(SC(F)F)cc1)c1ccsc1	50340608	BEJSIELSAPDSEY-SECBINFHSA-N	285.384	5.236	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](c1ccccc1)C(C)C	70090604	UDSGLQZYBINJDK-GOEBONIOSA-N	273.445	5.104	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H](C)c1cccc(Cl)c1	163218976	COUCXASHYXOTRT-GHMZBOCLSA-N	293.760	5.112	0	20	CKAD	
COCc1ccccc1N[C@H](C)c1cccc2ccccc12	315534602	JOAMYDVHTSLISM-OAHLLOKOSA-N	291.394	5.159	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C(C)C)c1ccsc1	382138028	QAWCSOOMQSIRCU-IAGOWNOFSA-N	273.445	5.186	0	20	CKAD	
Cc1ccsc1CNC1(c2ccccc2)CCCCC1	506314583	HCJGYMCYGNKQSW-UHFFFAOYSA-N	285.456	5.006	0	20	CKAD	
Cc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1Cl	525310334	LKWXOQIIGFFVEL-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1	607453193	KWFCAUJLLWSAIU-ZIAGYGMSSA-N	299.439	5.180	0	20	CKAD	
C[C@@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)c1ccoc1	883363919	RKWJNIPOYYMENL-NOZJJQNGSA-N	287.256	5.026	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1coc2ccccc12	113011141	ROZXAAZCGXPTJU-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
C[C@H](Nc1ccc2ncsc2c1)c1cccc(Cl)c1	226367341	HACAEJPJDOQFNU-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
C[C@@H](SCc1ccco1)c1ccc(F)c(Cl)c1	303054078	YQQGOPCGQLEYAH-SECBINFHSA-N	270.756	5.067	0	20	CKAD	
CC[C@@H](SCc1ccc(Cl)nc1)c1ccccc1	303259555	HLVRBLYBCUUGGB-CQSZACIVSA-N	277.820	5.120	0	20	CKAD	
CC(C)c1nc2cc(N[C@H](C)c3ccc(F)cc3)ccc2o1	315773161	UFRBEHWSPWVUJF-GFCCVEGCSA-N	298.361	5.263	0	20	CKAD	
Fc1ccc(N[C@@H](c2cccnc2)C2CCC2)cc1C1CC1	467454839	JWRNRVGJXIKAAC-LJQANCHMSA-N	296.389	5.051	0	20	CKAD	
C[C@@H](SCc1ncc(-c2ccccc2)o1)c1ccccc1	500282462	SAKZMXCGAZTIAU-CQSZACIVSA-N	295.407	5.336	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc2cnn(C(C)C)c2c1	540832368	DROSOVPQFSSHDC-CYBMUJFWSA-N	299.443	5.160	0	20	CKAD	
Cc1cccc(CS[C@@H](C)c2ccccc2Cl)n1	584685240	PGJSANWUQVWGDJ-LBPRGKRZSA-N	277.820	5.038	0	20	CKAD	
CCc1ccc([C@H](C)C(=O)Nc2ccccc2C(C)C)cc1	589892821	PNYKJAHVYWONQP-HNNXBMFYSA-N	295.426	5.115	0	20	CKAD	
c1cc(CNc2ccc(C3CCC3)cc2)c2ccncc2c1	683776617	YMFKCQVQFZPQGP-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	748196075	YTLKYSMSYXNENS-CEFACKQISA-N	291.460	5.180	0	20	CKAD	
CCC(CC)(CC)SCc1csc([C@H](C)OC)n1	762971939	WVLOIZPTACCEOE-NSHDSACASA-N	287.494	5.053	0	20	CKAD	
CCc1c([C@@H](C)N[C@@H](C)c2cccs2)oc2ccccc12	22152073	IFMXOSGNJACVCM-QWHCGFSZSA-N	299.439	5.469	0	20	CKAD	
Cc1cc([C@@H](C)Nc2nc3ccccc3s2)c(C)s1	25497926	JKMGHSIMSYJDHV-SNVBAGLBSA-N	288.441	5.148	0	20	CKAD	
FC(F)c1cccc(CNc2ccc3ccccc3c2)c1	131778986	WKXMNOJHSTXRJB-UHFFFAOYSA-N	283.321	5.390	0	20	CKAD	
C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1ccc(Cl)s1	311708972	NFYFAAHNOOLVON-UHIISALHSA-N	291.847	5.301	0	20	CKAD	
Cc1nc(C(C)C)ccc1CNc1cccc(C(F)F)c1	453086174	PIAXLWNEQJPJBA-UHFFFAOYSA-N	290.357	5.063	0	20	CKAD	
CC[C@@H](Nc1cccc([C@H](C)OC)c1)c1ccccc1F	495105710	CAZKRMYZQJHNEB-SCLBCKFNSA-N	287.378	5.096	0	20	CKAD	
C[C@@H](Sc1ccccc1)c1ccc(OC(F)F)cc1	513260704	JUXLGJSFCUANIL-LLVKDONJSA-N	280.339	5.141	0	20	CKAD	
CSCc1cccc(N[C@@H](C)c2ccc(F)cc2F)c1	538635965	HESQUHBSOZUQEW-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
CCC(=O)c1ccc(NCc2ccccc2C(C)C)cc1	864017923	KTYYZCFBVKMYNH-UHFFFAOYSA-N	281.399	5.015	0	20	CKAD	
CSc1cccc(N[C@@H]2CCSc3ccccc32)c1	19900623	LTKDOYAUUZMHNX-OAHLLOKOSA-N	287.453	5.058	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)c(C)o1	36968329	AVDGBOQXILYFIB-UGSOOPFHSA-N	289.394	5.083	0	20	CKAD	
COc1ccc2cc([C@H](C)Nc3ccc(F)cc3)ccc2c1	386236351	RRCFFXKREORNAM-ZDUSSCGKSA-N	295.357	5.161	0	20	CKAD	
CC[C@@H](N[C@@H](CC1CCC1)c1ccccc1)c1ccncc1	453195295	JIQBQCCBYQTPGC-UXHICEINSA-N	294.442	5.054	0	20	CKAD	
Clc1csc(CN[C@H](c2ccccc2)C2CCC2)c1	487273235	DRIJEQCOKQCYJK-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
CCC[C@@H](Nc1cccc(SCC)c1)c1cccnc1	541768157	MAHDMCYBAWYGDI-QGZVFWFLSA-N	286.444	5.147	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)c2c(F)cccc2F)s1	610217603	AAWIJLKNTMWQDZ-SECBINFHSA-N	299.411	5.033	0	20	CKAD	
CCCCCC[C@H](CC)C(=O)N(C)[C@H](C)c1cccs1	740923521	HSRFQBGQNMFLLC-CABCVRRESA-N	295.492	5.264	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1ccc2occc2c1	796363787	AEXPGJPZUDKABT-UHFFFAOYSA-N	294.398	5.255	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccns1)c1cc(C)sc1C	858576651	LGOGULXHRPGUQY-SMDDNHRTSA-N	294.489	5.013	0	20	CKAD	
CC/C=C(\C)C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1	921164090	JGQKXFOLXHABDX-AAWPKVBNSA-N	299.414	5.089	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2ccccc2C)cc1	21510616	ZZJLEQMJOWGMMS-CABCVRRESA-N	285.456	5.129	0	20	CKAD	
c1ccc2c(c1)Oc1ccccc1C2c1c[nH]c2ccccc12	39206291	FTPHAZDBKDTXMJ-UHFFFAOYSA-N	297.357	5.454	0	20	CKAD	
CCCCCN(CCCCC)C(=O)Nc1ccccc1F	60487185	RHXRWDVDGGKRMP-UHFFFAOYSA-N	294.414	5.040	0	20	CKAD	
CC[C@@H](NCc1cccc(C(F)F)c1)c1ccc(C)cc1	131791869	HHEBYFGAWLEHIW-QGZVFWFLSA-N	289.369	5.174	0	20	CKAD	
Cc1ccc(CNc2ccccc2SC2CCCC2)nc1	132672331	XGZCCGJYTKUPBZ-UHFFFAOYSA-N	298.455	5.037	0	20	CKAD	
C[C@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1cccs1	484289902	CIOUOBGHLHEASE-LRDDRELGSA-N	291.435	5.325	0	20	CKAD	
C[C@H](SC1CCCC1)c1ncc(-c2ccccc2)o1	525430667	SLSGEHDCHSSBLE-LBPRGKRZSA-N	273.401	5.078	0	20	CKAD	
Cc1cnc([C@@H](C)Sc2c(Cl)cccc2Cl)o1	539996201	LLUGUBXUWMSASF-MRVPVSSYSA-N	288.199	5.143	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1ccc(F)c2ccccc12	550612581	OBESCPFIJGCUCD-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
C[C@@H](Nc1ccc(F)cc1)c1nc(-c2ccccc2)cs1	558030834	LONWTPNMHZMAPW-GFCCVEGCSA-N	298.386	5.122	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2ccc(F)cc2C)c1	815612179	GGFLREGXZQQCJM-KBPBESRZSA-N	287.378	5.015	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1F)c1cc2ccccc2s1	126638773	WBQCUTHDBHRKJP-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cccc(C(F)F)c2)c(C)s1	131805456	RUYWPSAYOAWYIW-LLVKDONJSA-N	295.398	5.153	0	20	CKAD	
CC[C@H](NCc1cc2cc(F)ccc2o1)c1ccc(C)cc1	360830896	FSUQCFDRPABRDN-SFHVURJKSA-N	297.373	5.121	0	20	CKAD	
CCC(CC)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	498434102	OSNHIFSKTIEUDE-ZDUSSCGKSA-N	293.476	5.260	0	20	CKAD	
O=C(CCC1CCCC1)N1CCCCC[C@@H]1c1ccccc1	519115485	QAVMEVILJMXGKE-LJQANCHMSA-N	299.458	5.101	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1	525761871	NDYMWVZGZYQZJY-CYBMUJFWSA-N	289.806	5.050	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(C)c1C)c1cccs1	531966905	AFPAEVRGYRLOAN-ZBFHGGJFSA-N	273.445	5.167	0	20	CKAD	
Cc1ccc(NCc2ccccc2CC(F)(F)F)cc1C	630061127	BFCASLXGXGIVGX-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CCC/C(C)=C\C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1	740807229	JUXJTTUVUUFHPR-WAIALKQBSA-N	299.458	5.123	0	20	CKAD	
C[C@H](SCCC(F)=C(F)F)c1cccs1	863307505	SSGRJKPEHQOILY-ZETCQYMHSA-N	252.326	5.010	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)cc1C	21813783	CSYAMWWUNDEBOC-ZDUSSCGKSA-N	291.341	5.078	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(C(C)(C)C)cc2)s1	49157686	WVLBGNCXLLQMIH-AWEZNQCLSA-N	287.472	5.205	0	20	CKAD	
Cc1ccc(C(=O)Nc2ccc(SC(C)(C)C)cc2)cc1	147288476	BZDNGKYPJIBFKH-UHFFFAOYSA-N	299.439	5.138	0	20	CKAD	
Cc1nc(S[C@@H](C)c2ccccc2)n(CC(C)C)c1C	302974654	RSOMCTQRWYLSLD-HNNXBMFYSA-N	288.460	5.009	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)o1	314944058	UNMXNHYPKLLFPL-INIZCTEOSA-N	291.394	5.106	0	20	CKAD	
CC[C@H](C)[C@H](NCc1cccs1)c1ccc(Cl)cc1	462769787	ZJPAQRGULLEVKZ-LRDDRELGSA-N	293.863	5.279	0	20	CKAD	
CSCc1ccc(N[C@@H](C)c2ccc(F)cc2F)cc1	537531919	ZIHOVHZPNGKISC-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
CC(C)(C)c1ccc(CN[C@@H](c2cccs2)C2CC2)cc1	556189677	IASQLLCSDZCABS-GOSISDBHSA-N	299.483	5.287	0	20	CKAD	
Cc1cccc(NC(=S)Nc2ccc(C3CCC3)cc2)c1	782420475	YTGNMMHTHLJJIF-UHFFFAOYSA-N	296.439	5.071	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1F)c1cccc2ccccc12	302947449	LRFZZEDSQHAFQQ-LSDHHAIUSA-N	293.385	5.391	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc2ccccc2n1)c1ccccc1	414227227	VZBRGEGTKGBRAX-QAPCUYQASA-N	290.410	5.037	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	421513626	XYLWCUHDJDVCMD-BRWVUGGUSA-N	299.458	5.137	0	20	CKAD	
C[C@@H](NCc1ccc(C2CC2)cc1)c1csc(Cl)c1	477868363	VIAOPOXLUYAAGB-LLVKDONJSA-N	291.847	5.130	0	20	CKAD	
CC[C@@H](NCc1oc2ccccc2c1C)c1cccs1	483122441	RSPLSBIMBIYFJT-CQSZACIVSA-N	285.412	5.044	0	20	CKAD	
C/C=C\c1ccc(N[C@H](c2cccnc2)C2CCC2)cc1	516885662	PMSBOMDZDRWGSI-LVXZVAJSSA-N	278.399	5.068	0	20	CKAD	
CC[C@H](NCc1csc2ccccc12)c1ccc(F)cc1	523388538	PQBOZMNEDRNYEB-KRWDZBQOSA-N	299.414	5.281	0	20	CKAD	
CC(C)(NCc1cccc(Cl)c1)c1ccc(Cl)cc1	551053082	DIPHVKKGMQAULA-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H]2CCCCc3ccccc32)o1	552649428	ZUPAWDOBSMTPKU-XJKSGUPXSA-N	287.428	5.245	0	20	CKAD	
CC(C)S[C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1	612429364	ZRTCLYWOWQUSGP-LBPRGKRZSA-N	298.411	5.092	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2csc3ccccc23)c(C)n1	679370278	POCAKIPTMWVNQY-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
O=C(/C=C\C1CCCCC1)Nc1ccc(Cl)cc1Cl	735420439	QTIBYFQASOTTGP-TWGQIWQCSA-N	298.213	5.068	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)s1	49158820	OSWZCPZYENWNCC-MNOVXSKESA-N	297.826	5.261	0	20	CKAD	
Cc1ccc(SCc2nc(-c3ccccc3)oc2C)cc1	248021109	MKLIXDLYHGCTRQ-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
CC1(C)CC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1	513715229	NESRIHNMYDHPRA-CYBMUJFWSA-N	299.439	5.180	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(COC(C)C)cc2)cc1	537426023	SUPPBBKCHLPNLD-MRXNPFEDSA-N	283.415	5.093	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)C(C)(C)CC)c(C)c1	588371001	CCXTWDRIVWNENM-CYBMUJFWSA-N	293.476	5.260	0	20	CKAD	
C(=C/c1cccc2cnccc12)\c1nc2ccccc2s1	679923902	OOQIEQYBGZJNCU-CMDGGOBGSA-N	288.375	5.015	0	20	CKAD	
CCCCC(=O)Nc1ccc(SC(C)(C)C)cc1C	751255093	NKMRHZDFSCUAJN-UHFFFAOYSA-N	279.449	5.014	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(Cl)cc1Cl	773116861	HQXFJXFXJKXDSZ-QMTHXVAHSA-N	297.229	5.123	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2occc21)c1csc2ccccc12	774171750	MWWZFIHRUSINGV-WBMJQRKESA-N	297.423	5.223	0	20	CKAD	
CC[C@H](NCc1ccc(CF)cc1)c1cccc(Cl)c1	777720048	DHGIVBVNEIYMOF-KRWDZBQOSA-N	291.797	5.050	0	20	CKAD	
CSc1ccc(CN[C@@H](CC(C)C)c2ccccc2)cc1	34993416	NZZBHZCVHSLPSF-IBGZPJMESA-N	299.483	5.286	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(Cl)c(F)c2)c(C)s1	43389590	RLUZQRXOBJJMCJ-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
Cc1cscc1CN[C@H](C)c1ccc(C(C)C)cc1	94877988	SNCDTMUNGRWVDN-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
CCCCCCCC[C@H](CCCCCCC)C(=O)O	116941541	UWORJOUXMWXRPU-INIZCTEOSA-N	270.457	5.798	0	20	CKAD	
C=CC(=O)N(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC	137685679	WUGBLGVVAAUSET-ROUUACIJSA-N	295.511	5.434	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(N3CCCCC3)cc2)c(C)o1	315648355	ZYDMGQAEAYFNJW-HNNXBMFYSA-N	298.430	5.060	0	20	CKAD	
FC(F)c1ccc(CNCc2cccc3ccccc23)cc1	317012811	PTMGPCPZPXGWBI-UHFFFAOYSA-N	297.348	5.067	0	20	CKAD	
CC[C@H](Nc1ccc2[nH]c(C)cc2c1)c1ccccc1	500288796	JLZVYBJMSCTGEO-KRWDZBQOSA-N	264.372	5.040	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CC1)c1cc2c(s1)CCC2	532452134	SRLNTICDQVFYPC-DJJJIMSYSA-N	297.467	5.039	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCCC1)c1cccs1	532492251	KHQGWUSUTHESKA-KSSFIOAISA-N	285.456	5.330	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@@H](C)c3ccsc3)oc2c1	669851092	UVBNXWSEYXGHGB-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](CC2CC2)c2ccccc2)o1	679046556	MSRCVHTVYSHDTO-KBXCAEBGSA-N	283.415	5.034	0	20	CKAD	
COc1ccc(N[C@@H](C)c2cccc(Cl)c2)cc1Cl	21012824	SNVYVEATQZCQOE-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1	21505272	OPRAOAOPYXXDAH-LBPRGKRZSA-N	295.304	5.067	0	20	CKAD	
CC[C@@H](c1ccccc1)[S@](=O)c1ccc(C(C)C)cc1	463680145	DDBDWZYXSFRKCX-AZUAARDMSA-N	286.440	5.069	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1C)C1CC1)c1cccs1	482952678	UPYSEOVIRJBNOD-AEFFLSMTSA-N	285.456	5.249	0	20	CKAD	
Cc1oc2ccc(NC(=O)c3ccoc3C(C)C)cc2c1C	484122464	GAPDZINCUXHUSA-UHFFFAOYSA-N	297.354	5.018	0	20	CKAD	
CC(C)C[C@@H](NCc1cc(Cl)cs1)c1cccs1	486934318	HARMEOWEGDJLKD-CYBMUJFWSA-N	299.892	5.340	0	20	CKAD	
CSc1ccc(C)c(C(=O)Nc2ccc(C(C)C)cc2)c1	497206852	RSNIUVMMYOCKPM-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc(Cl)s1	498485795	VHINIGDNFTUXMK-SMDDNHRTSA-N	291.847	5.048	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H]1CCc2c(C)cccc21	503893284	OGGVXSKZRHERJN-RDTXWAMCSA-N	297.467	5.055	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1F)C1CCCC1)c1ccoc1	532247061	KDNWYIKSVVHGST-ACJLOTCBSA-N	287.378	5.001	0	20	CKAD	
CC(C)C[C@H](N[C@@H](C)c1ccsc1)c1cccs1	540187809	FWVPWGCBKQTWPQ-JSGCOSHPSA-N	279.474	5.248	0	20	CKAD	
Cc1oc(-c2ccsc2)nc1CSc1ccccc1	588349574	CSLGNGZKRPERBO-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C[C@@H](Sc1ccc(Cl)c(Cl)c1)c1ccncc1	608102254	MATYYRFVSRQQIM-SECBINFHSA-N	284.211	5.242	0	20	CKAD	
C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccc(Cl)nc1	786970173	NZRXOGBRVBUEEF-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
CSc1ccc(C)c(NC(=O)c2ccccc2C(C)C)c1	831726362	BFISVCJWWJJGIG-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
C[C@H](Nc1cc(Cl)cc2cccnc12)c1cccs1	36918532	QZASISVXPXZNAA-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
COc1cccc([C@@H](C)Nc2ccc3ccccc3c2)c1	36952049	AYSULHHAKCAOGB-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccccc2Cl)c1	37219121	VNANSCPSNRCGCP-KGLIPLIRSA-N	273.807	5.060	0	20	CKAD	
C[C@@H](Nc1cc(Cl)cc2cccnc12)c1ccsc1	50340580	FDVHDDQFFRRLNU-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
C[C@H](S[C@H](C)c1cnccn1)c1ccc2ccccc2c1	185547538	HWWQXKFTNALGAD-UONOGXRCSA-N	294.423	5.185	0	20	CKAD	
C[C@@H](Nc1cccc2ccncc12)c1csc(Cl)c1	230412874	SNXQYSBFPLBYKX-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@H](C)c2cscn2)cc1	527910875	FJTZVFRPUHOKCJ-MELADBBJSA-N	288.460	5.068	0	20	CKAD	
FC(F)Sc1cccc(N[C@@H]2CCCc3occc32)c1	690210949	BYGGCYIRZVTRMJ-CYBMUJFWSA-N	295.354	5.084	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc3ccccc3n2)s1	765300051	MBDKKGZLMQQFFK-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C=C(CC)CC	788489614	ZAGPNBDOOOWOKI-UHFFFAOYSA-N	287.447	5.447	0	20	CKAD	
Cc1ccccc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C	37119016	HRQXECQSBWPGIS-SFHVURJKSA-N	285.406	5.011	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1ccccc1OC(C)C	315660532	OOQVLPSVFOGFDJ-DLBZAZTESA-N	297.442	5.194	0	20	CKAD	
CC(C)N(C(=O)c1cccc2ccccc12)C1CCCCC1	443866075	FOURFARVLRMPSF-UHFFFAOYSA-N	295.426	5.023	0	20	CKAD	
CC[C@H](Nc1ccc(COC(C)C)cc1)c1ccccc1	523652085	MGRGZOHUVKULOZ-IBGZPJMESA-N	283.415	5.175	0	20	CKAD	
Cc1ccsc1CN[C@@H](c1ccccc1Cl)C(C)C	523738757	LKXBUOANODKYIH-MRXNPFEDSA-N	293.863	5.197	0	20	CKAD	
c1ccc2sc(CN[C@H]3CCCc4sccc43)cc2c1	547341587	YERUCQCCNPRYBB-HNNXBMFYSA-N	299.464	5.130	0	20	CKAD	
C[C@H](NC1(c2ccc(F)cc2)CC1)c1cccc(C2CC2)c1	582979649	YCHSHGBEDGAQSB-AWEZNQCLSA-N	295.401	5.043	0	20	CKAD	
C[C@H](SCc1nc2ccccc2s1)c1cccs1	737405646	JPGMHZYWTXGUSC-JTQLQIEISA-N	291.466	5.352	0	20	CKAD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1cccc(F)c1	743475641	UHUCKYCCGZUJLJ-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccsc1	50340953	QTQJGRZDYRDMBP-GFCCVEGCSA-N	253.370	5.074	0	20	CKAD	
CCc1cccc(N[C@H](C)c2cnc3ccsc3c2)c1	68690468	PCZFZWOABIJJJA-GFCCVEGCSA-N	282.412	5.032	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2ccccc2Cl)cc1F	134645382	VVZVLHUKLCDJKL-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
Cc1ccccc1CN[C@H](c1ccccc1)C1CCCC1	195719310	VVGNICAINDGTTD-HXUWFJFHSA-N	279.427	5.016	0	20	CKAD	
CC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccsc1	382097552	IMRAGIQCACHRTB-HUUCEWRRSA-N	289.469	5.026	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)c1ccco1)c1ccsc1	382191703	ZCHFPKXMYFKFRT-SJLPKXTDSA-N	297.423	5.171	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1cccs1)c1ccc(F)cc1F	484524689	XUPHHQTZARMVEN-MEDUHNTESA-N	295.398	5.074	0	20	CKAD	
Fc1ccc(/C=C/CNc2cccc(C(F)F)c2)cc1F	512037486	QREYEXSNJWYCDQ-NSCUHMNNSA-N	295.279	5.028	0	20	CKAD	
c1ccc(-c2ccc(SCc3ccccn3)cc2)cc1	517794920	YNCBIWOUFOQUIR-UHFFFAOYSA-N	277.392	5.041	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2cccc([C@H](C)OC)c2)s1	539732939	AUPKFJBCNNAEPI-OLZOCXBDSA-N	289.444	5.191	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)c2ccc(C(C)C)s2)c1	544833196	RIMFMQBFLZRNIM-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1cnc([C@@H](C)Nc2ccc(-c3ccccc3)c(C)c2)o1	547241880	AJFBTQWDUVGXJG-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](CCC)c2cccnc2)cc1	568017332	ICWBYBUNTVHLCN-CJISVDGZSA-N	266.388	5.068	0	20	CKAD	
C[C@H](Nc1cccc2c1ccn2C)c1ccccc1Cl	588908417	CIMSALXQBZITDP-LBPRGKRZSA-N	284.790	5.005	0	20	CKAD	
CC[C@@H](NC(=O)Nc1c(C)cccc1C(C)C)C(C)(C)C	591834874	LVCQDLHDNUMUND-OAHLLOKOSA-N	290.451	5.065	0	20	CKAD	
FC(F)C1CC(Nc2ccc(SC3CCCC3)cc2)C1	768664721	FYSMQZBUNUQXGS-UHFFFAOYSA-N	297.414	5.177	0	20	CKAD	
CCCCCc1ccc(NC(=S)Nc2ccccc2)cc1	16243630	KNWCQMQEOMAPHH-UHFFFAOYSA-N	298.455	5.228	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(SC)cc1)c1cccs1	36994269	JTKXNXVKVSVOMG-IUODEOHRSA-N	291.485	5.272	0	20	CKAD	
C(=C\c1nc2ccccc2s1)\c1ccc2ncccc2c1	96297672	FEWVXJSHOMOWSH-NTMALXAHSA-N	288.375	5.015	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2csc(Cl)c2)c(C)s1	230407680	YTBNPIJSSLPJBP-ZJUUUORDSA-N	299.892	5.492	0	20	CKAD	
Cc1cscc1N[C@H]1C[C@H](C)Sc2sccc21	387070691	AVSLHPLSYDWUHQ-ONGXEEELSA-N	281.471	5.156	0	20	CKAD	
CCCC(CCC)[S@](=O)[C@H](C)c1cccc(Cl)c1	480006988	BQTKMRNYWLQEFL-KZULUSFZSA-N	286.868	5.119	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1ccncc1	483500412	HXSRRDBKSSWUDV-UZLBHIALSA-N	296.458	5.082	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)N[C@H](C)CCC(C)C	515378432	QPCMLQJLOQXSPG-OAHLLOKOSA-N	290.451	5.065	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2cccc(C)c2C)cc1	539653383	DFHFIQCLDJZAEF-MRXNPFEDSA-N	283.415	5.013	0	20	CKAD	
CC[C@H](C)N(C(=O)c1cc2sccc2s1)[C@H](C)CC	547348472	RXKHTYXJVHCLAC-PHIMTYICSA-N	295.473	5.002	0	20	CKAD	
C/C=C/c1ccc(NCc2ccc(SC)c(OC)c2)cc1	569285208	CRXQTFFLPNBZBR-SNAWJCMRSA-N	299.439	5.062	0	20	CKAD	
Cc1ccsc1/C=C(/Cl)c1nc2cc(F)ccc2o1	756786154	FCKPNVPSVVDKPP-JXMROGBWSA-N	293.750	5.074	0	20	CKAD	
C[C@H](SC1=N[C@H](C)CS1)c1ccc2ccccc2c1	766296148	ZZPLEFQRTGAQSM-NEPJUHHUSA-N	287.453	5.125	0	20	CKAD	
CC(C)c1cnc(CSCc2cccc(C(F)F)c2)o1	794898667	OXBKXYIZMIDZHD-UHFFFAOYSA-N	297.370	5.169	0	20	CKAD	
FC(F)(F)c1ccccc1CNc1ccc2occc2c1	864018054	OQOQBNVFMQZYOE-UHFFFAOYSA-N	291.272	5.064	0	20	CKAD	
CCCCCCc1ccc(-c2nccc3ccccc23)cc1	143390693	KJFRIHBKWUEOPL-UHFFFAOYSA-N	289.422	6.025	0	20	CKAD	
COCc1ccc(N[C@H](C)c2oc3ccccc3c2C)cc1	318913546	AGAVSBNJFSYVRZ-CQSZACIVSA-N	295.382	5.061	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1ccsc1)c1ccc(C)cc1	382129471	OIYAVVOXGIHZBX-IAGOWNOFSA-N	273.445	5.249	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C1=C(C)CCC1	472823602	LNQJODSTJJGWIN-UHFFFAOYSA-N	285.431	5.201	0	20	CKAD	
CC[C@H](NCc1cscc1C)c1cccc(Cl)c1F	494481445	AFKNLJYWXJQWPF-AWEZNQCLSA-N	297.826	5.090	0	20	CKAD	
Cc1cccc([C@@H](C)SCc2cccc(Cl)n2)c1	743248989	ZWZVLJAVHYBOTN-GFCCVEGCSA-N	277.820	5.038	0	20	CKAD	
Cc1cccc(C(=O)Nc2ccc3ccccc3c2)c1Cl	754827219	VCODKOCDHTYNMS-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](CC(C)C)c2ccccc2)o1	36960036	SKBBTPKWLVOQQT-RDJZCZTQSA-N	271.404	5.026	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C(C)(C)C)o1	36994756	UXPGWRWVYPHJDL-YOEHRIQHSA-N	271.404	5.026	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)c2ccco2)s1	41640201	KTROWGKVGHESGF-KBXCAEBGSA-N	297.423	5.090	0	20	CKAD	
CCC(CC)N(C(=O)c1ccc(C)o1)c1ccc(C)c(C)c1	63442418	XLWRWXJAKXGQRP-UHFFFAOYSA-N	299.414	5.040	0	20	CKAD	
C[C@H](N[C@H](CC1CCCC1)c1ccccc1)c1ccccn1	90765513	QJWKJEUKLOSCSE-OXJNMPFZSA-N	294.442	5.054	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1ccc2c(c1)COC2	462945726	PFXMBQUTCVELNH-CQSZACIVSA-N	293.410	5.157	0	20	CKAD	
CC[C@H](SCCC(F)(F)F)c1ccc(F)cc1F	525403566	KXKSSAWAOIPLIF-NSHDSACASA-N	284.293	5.102	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2cccs2)c1	538629350	UBXGJIOCXDGESD-NSHDSACASA-N	263.431	5.033	0	20	CKAD	
C[C@H](N[C@H]1CCCC(F)(F)C1)c1cccc2ccccc12	539066655	UFHFIDOUOKXLIG-ZFWWWQNUSA-N	289.369	5.068	0	20	CKAD	
Cc1cnc([C@H](C)Sc2c(Cl)cccc2Cl)o1	539996203	LLUGUBXUWMSASF-QMMMGPOBSA-N	288.199	5.143	0	20	CKAD	
C[C@@H](SCCC(F)(F)F)c1cccc(Cl)c1	610137286	OOPWACOAUVEIKR-MRVPVSSYSA-N	268.731	5.087	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H](C)CC(C)(C)C)c(C)c1	612923800	JUNFMFAXLQKPDQ-CYBMUJFWSA-N	275.436	5.013	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CCC(C)C	751253856	BRSFLGQNPNJWID-UHFFFAOYSA-N	293.476	5.260	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1)c1ccc(F)c(Cl)c1	21520341	RFAIGQZSPPOAGX-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
CSc1cccc(N[C@H](c2ccccc2)C(F)(F)F)c1	70396713	KHLSWENQPFKZEX-CQSZACIVSA-N	297.345	5.124	0	20	CKAD	
C[C@H](N[C@H](CC1CCCC1)c1ccccc1)c1ccncc1	90765521	YFCPAOIMHFPVLS-OXJNMPFZSA-N	294.442	5.054	0	20	CKAD	
COCc1cccc(N[C@@H](C)c2cc3ccccc3s2)c1	126439017	IFFDGHRTQCBMAU-ZDUSSCGKSA-N	297.423	5.221	0	20	CKAD	
Cc1nnc([C@@H](C)S[C@H](C)c2ccc(C(C)C)cc2)o1	182068270	LOYKMJWEPFAUNX-VXGBXAGGSA-N	290.432	5.057	0	20	CKAD	
Cc1cnc([C@@H](C)SCc2cccc3ccccc23)o1	538850530	KSIXNEKDDMBMEN-CYBMUJFWSA-N	283.396	5.131	0	20	CKAD	
CCc1ccc([C@H](C)Nc2cccc([C@@H](C)OC)c2)s1	539732940	AUPKFJBCNNAEPI-QWHCGFSZSA-N	289.444	5.191	0	20	CKAD	
Cc1cccc(N[C@H](C)c2ccc(C(F)F)nc2)c1Cl	850458465	SZQGGWJKPCQUJB-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
Cc1ccc(C[C@H](C)N[C@@H](C)c2cc(C)sc2C)s1	80241148	MZZITGKSMFCDNH-GWCFXTLKSA-N	293.501	5.017	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1cc2c(s1)CCCC2	129471024	ZYDQDHABPJDJTE-NEPJUHHUSA-N	291.485	5.100	0	20	CKAD	
C[C@@H](Sc1cc(F)ccc1F)c1ncc(C(C)(C)C)o1	476493374	UDIRENRSLQHEGJ-SECBINFHSA-N	297.370	5.104	0	20	CKAD	
Cc1cccc(F)c1NC(=O)Nc1ccc(C2CCC2)cc1	488591954	QSJLEMSWXPAVSO-UHFFFAOYSA-N	298.361	5.046	0	20	CKAD	
C/C=C/c1ccc(NCc2cnc(-c3ccco3)s2)cc1	573997545	XNDJZLIBPJBHJS-DUXPYHPUSA-N	296.395	5.048	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC12CC2	626629820	PVSBHTINSZEVLI-QGZVFWFLSA-N	299.458	5.281	0	20	CKAD	
Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)c1ccsc1	669851162	WDESVNYATLVMRI-WDEREUQCSA-N	294.489	5.048	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CCC1CC1	734321361	GKOBAJQIMJAPRO-UHFFFAOYSA-N	291.460	5.014	0	20	CKAD	
Cc1ccccc1[C@@H](C)Nc1cccc(-c2nccs2)c1	37778295	OYSMUAOMOFIYTL-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1cccs1	49529252	DHYKDHMAFXJSKC-TXEJJXNPSA-N	265.447	5.002	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H]2CCCc3sccc32)s1	61360303	RRFYIBULIJOJLS-FZMZJTMJSA-N	291.485	5.100	0	20	CKAD	
C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)c1ccoc1	94868694	RHLOFRZOVJTTNS-WMLDXEAASA-N	271.404	5.108	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sc(Cl)cc21)c1ccccc1	127175718	GBXFXTGXVYWHLU-BXUZGUMPSA-N	291.847	5.130	0	20	CKAD	
CC[C@@H](N[C@H]1CCCc2sccc21)c1ccccc1F	127308766	UHEZYRUUKSUDGL-CVEARBPZSA-N	289.419	5.006	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1cccc(F)c1	166551462	ZFBPQSPIOWTNLM-LSDHHAIUSA-N	277.408	5.079	0	20	CKAD	
CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1cccs1	183093748	GNODZGOLYWGYJV-DOMZBBRYSA-N	275.417	5.019	0	20	CKAD	
Cc1ccc(C)c(NC(=O)Nc2ccccc2C(C)(C)C)c1	244279664	WTIGDUUNMCIRAM-UHFFFAOYSA-N	296.414	5.245	0	20	CKAD	
Cc1cccc(S[C@H](C)c2ncc(-c3ccccc3)o2)c1	303660496	DDYMUXOJWFKVEI-CQSZACIVSA-N	295.407	5.503	0	20	CKAD	
CC[C@@H](NCc1cccc(OC(C)C)c1)c1ccc(C)cc1	314918660	MYGSOSPWGANSNC-HXUWFJFHSA-N	297.442	5.023	0	20	CKAD	
CCc1ccccc1N[C@@H](C)c1csc(C(C)C)n1	469788688	VRGHKJBONAKCQI-LBPRGKRZSA-N	274.433	5.002	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](C)c1oc2ccccc2c1C	477867396	XYQMZZSIMRURNI-KGLIPLIRSA-N	299.439	5.523	0	20	CKAD	
Cc1ccccc1[C@@H](NCc1cc2ccccc2o1)C(C)C	482170761	RXFMRLYVWYMIGH-FQEVSTJZSA-N	293.410	5.228	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc(CC(F)(F)F)c2)s1	539739856	CBEPWULKWGDLCG-NSHDSACASA-N	299.361	5.334	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1csc2ccccc12	765833233	MAQBIQQJPKEICJ-NWDGAFQWSA-N	287.453	5.375	0	20	CKAD	
C[C@@H](Nc1ccccc1C(F)(F)F)c1ccccc1F	21061739	IZPMCYVRFPSQQE-SNVBAGLBSA-N	283.268	5.018	0	20	CKAD	
C[C@@H](Nc1ccc(SC(F)F)cc1)c1ccccc1F	36919554	XNRFYUWGIQNUEZ-SNVBAGLBSA-N	297.345	5.314	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1cc(F)ccc1F	36952001	USENTUUKAMDZPM-GFCCVEGCSA-N	283.321	5.291	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(SC(F)F)cc2)cs1	381476638	MTBGQCRBMFXHIP-JTQLQIEISA-N	299.411	5.544	0	20	CKAD	
CC[C@H](N[C@H]1C[C@H](C(C)C)c2ccccc21)c1ccncc1	447542769	POKJDPBNINRGNJ-AABGKKOBSA-N	294.442	5.007	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1cncs1)c1cccs1	536859351	TZVPZSVNGJIBLD-IAQYHMDHSA-N	294.489	5.033	0	20	CKAD	
C[C@@H](Nc1cccc(COC2CCCCC2)c1)c1ccco1	537486691	KVHHEOGVHJSZKO-OAHLLOKOSA-N	299.414	5.302	0	20	CKAD	
Cc1ccc2oc(CN[C@@H](c3ccccc3)C(C)C)cc2c1	563654398	DNBPTCWNGSZXRO-HXUWFJFHSA-N	293.410	5.228	0	20	CKAD	
CCCCCC[C@H](C)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	739632703	NBGQCMKBMINIBI-SNRMKQJTSA-N	299.458	5.401	0	20	CKAD	
FC(F)c1cccc(CSCc2cccnc2Cl)c1	794899234	SKPYHLYQYBZLIF-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cc(C)oc1C)c1ccccc1	37062562	VMSWZSBUZINWNJ-KBXCAEBGSA-N	271.404	5.088	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cccc3ccccc23)cs1	381517022	WFRPUKASFOSREH-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CCC[C@@H](N[C@H]1CCCc2sccc21)c1ccsc1	443107385	ZSTSBUXWWMZYPV-CABCVRRESA-N	291.485	5.318	0	20	CKAD	
Cc1occc1SCc1csc(-c2ccsc2)n1	479137930	XFBZZMXKQCFMFU-UHFFFAOYSA-N	293.438	5.065	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H]1CCC[C@H]1c1ccccc1	480252790	FIMSYOJSFRIDNA-KBMXLJTQSA-N	299.380	5.033	0	20	CKAD	
Cc1c([C@@H](NCc2ccsc2)C(C)C)oc2ccccc12	482157778	HVXAQIKOEZNAEA-KRWDZBQOSA-N	299.439	5.290	0	20	CKAD	
C[C@@H](SCc1cccc2cccnc12)c1cccc(F)c1	604071930	OGJBBEFDTAWTMX-CYBMUJFWSA-N	297.398	5.368	0	20	CKAD	
CC(C)c1nc([C@@H](C)Nc2ccc(C3CC3)cc2)cs1	681108858	NBIYGPUQQOKYQF-GFCCVEGCSA-N	286.444	5.317	0	20	CKAD	
O=C(C=C1CCCC1)Nc1ccc2c(c1)oc1ccccc12	917671971	KKFXFCSWSPMADA-UHFFFAOYSA-N	291.350	5.025	0	20	CKAD	
CSc1cccc(NCc2cccc(Cl)c2Cl)c1	22147447	LQKPNCFKVNSZDV-UHFFFAOYSA-N	298.238	5.327	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sc(Cl)cc21)c1cccs1	127461458	JXLIDFFKHJOXEH-GXSJLCMTSA-N	297.876	5.191	0	20	CKAD	
CCC[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccccn1	358231323	SICVDLBPMUPBBB-BPAFIMBUSA-N	294.442	5.151	0	20	CKAD	
CCC[C@H](N[C@H]1CCCc2sccc21)c1ccsc1	443107386	ZSTSBUXWWMZYPV-GJZGRUSLSA-N	291.485	5.318	0	20	CKAD	
Cc1cc2nc(/C=C/C=C/c3ccncc3)sc2cc1C	447362252	DRRKOEDAIBDNFA-GGWOSOGESA-N	292.407	5.035	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1cccc2ccsc12	464544553	DETGOGNBJQCSLP-UHFFFAOYSA-N	295.407	5.277	0	20	CKAD	
CC[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1cccs1	479252662	KVVCUAUTBXEJNM-HUUCEWRRSA-N	291.847	5.130	0	20	CKAD	
FC(F)(F)CCCCSCCCc1ccsc1	542088096	HFTRLKIAYXADFN-UHFFFAOYSA-N	282.396	5.147	0	20	CKAD	
Cc1ccc(CNc2cccc(Cl)c2OC(C)C)s1	605322536	BNPPSGKAHIBGPR-UHFFFAOYSA-N	295.835	5.109	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1cc2cnccc2o1	658018227	PJQMIJYCDAXCJG-CYBMUJFWSA-N	292.382	5.268	0	20	CKAD	
CC(C)Sc1ccc([C@@H](C)N[C@H]2CCC(F)(F)C2)cc1	679071090	CPHNHWUJMVWTRA-OCCSQVGLSA-N	299.430	5.026	0	20	CKAD	
CCCCCC[C@H](C)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	741948382	ILFLUZNMVDLQAO-WBAXXEDZSA-N	285.431	5.011	0	20	CKAD	
C[C@@H]1CC/C(=C/C(=O)Nc2ccccc2-c2ccccc2)C1	753577621	BIASFZWRTIYCGN-VZHUHSAUSA-N	291.394	5.039	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H]2CCCc3sccc32)c(C)s1	61327611	QNCLSLGUQKGJGJ-IAQYHMDHSA-N	291.485	5.155	0	20	CKAD	
Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccsc2)cc1C	61360901	IAPPHBQKONOBMP-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(SC(C)(C)C)cc2)no1	285312662	SPCUDRSYTHXGHW-GFCCVEGCSA-N	290.432	5.047	0	20	CKAD	
CC(C)c1nc(CSc2cccc(Cl)c2)cs1	303093928	FCFCLZASBDZVES-UHFFFAOYSA-N	283.849	5.212	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc3ccccc3o1)CC2	318930291	OVISVEQTONYVFN-RDTXWAMCSA-N	291.394	5.079	0	20	CKAD	
CCC[C@H](NC1(c2ccccc2F)CC1)c1ccsc1	443079535	OJYRMUWSQIEVOK-INIZCTEOSA-N	289.419	5.007	0	20	CKAD	
CC(C)[C@@H](C)SCc1csc(-c2cccs2)n1	463237284	VIBSJEJTJHXGGB-SNVBAGLBSA-N	283.487	5.149	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H]1CCCc2sccc21)C1CC1	468048170	FOWWXKUBHVTLFF-HKUYNNGSSA-N	297.467	5.175	0	20	CKAD	
CCC(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1	471382285	FPXOYBFGGMHDSC-UHFFFAOYSA-N	294.181	5.009	0	20	CKAD	
FC(F)(F)CCSCC1CCC(C(F)(F)F)CC1	471895331	LBENQJHEHXSWLB-UHFFFAOYSA-N	294.304	5.041	0	20	CKAD	
COc1c(Cl)cccc1N[C@@H](C)c1ccccc1Cl	516837867	ASZGDHDKDRHZCM-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
Cc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1ccoc1	531972756	GUOZHTCMWXPAOE-YJBOKZPZSA-N	271.404	5.026	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)c1ccco1	607439710	LDZIWBBGLWDKJU-CQSZACIVSA-N	299.414	5.269	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccoc1)c1ccc(Cl)cc1	742374597	ZADXETPEFJHAEX-MRXNPFEDSA-N	291.822	5.200	0	20	CKAD	
CC(C)c1cccc(NC(=O)Nc2ccccc2Cl)c1	48908604	GKTQWTMLSGWIAW-UHFFFAOYSA-N	288.778	5.107	0	20	CKAD	
Cc1cscc1N[C@H](C)c1sc(C(C)(C)C)nc1C	387232077	NHUHRYPSTUZVAY-SNVBAGLBSA-N	294.489	5.292	0	20	CKAD	
CC[C@H](S[C@@H](C)c1cnccn1)c1ccc(Cl)cc1	467304643	NUYAQGAEBAWCEC-NHYWBVRUSA-N	292.835	5.076	0	20	CKAD	
Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](c1cccs1)C1CC1	504917133	AVYVWXYWKIUULA-VVFCZOMOSA-N	297.467	5.346	0	20	CKAD	
CC(C)C[C@@H](NCc1cccc(Cl)c1)c1cccs1	521818534	XCTCZZBKWAMUEO-OAHLLOKOSA-N	293.863	5.279	0	20	CKAD	
C/C(=C\c1ccccc1)CNc1cccc(COC(C)C)c1	584549162	IWUQVLSHPQPADF-SFQUDFHCSA-N	295.426	5.127	0	20	CKAD	
C[C@H](c1cccs1)N(C/C=C\Cl)Cc1ccccc1	746657494	FWQUFJLYCMJEFI-LBIZBFCRSA-N	291.847	5.064	0	20	CKAD	
Cc1c(C)c(-c2ccncc2)c(C)c(C)c1-c1ccncc1	2048532886	IYEWJYRXMGULRK-UHFFFAOYSA-N	288.394	5.044	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cc2F)s1	41203639	UMHBBAVQNHHNPJ-GHMZBOCLSA-N	295.398	5.001	0	20	CKAD	
C[C@H](NCc1cccc(C(F)F)c1)c1ccccc1Cl	131756243	TUUWNAQZELPCOZ-NSHDSACASA-N	295.760	5.128	0	20	CKAD	
CCCOc1ccc(CN[C@@H](CC)c2ccc(C)cc2)cc1	315373252	CRFVXUJKGTTWKZ-FQEVSTJZSA-N	297.442	5.025	0	20	CKAD	
Cc1cccc(C)c1[C@H](C)NCc1ccc(C(F)F)cc1	461376803	OGSHMPHXSSGAQU-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)C(C)C)cc1	497544470	YZUOZXXIAVXTHJ-OAHLLOKOSA-N	297.398	5.018	0	20	CKAD	
Cc1cc(CS[C@@H](C)c2cccc3ccccc23)on1	518740461	GKCFAKLMBVSZSV-ZDUSSCGKSA-N	283.396	5.131	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)c1cccc(C2CCC2)c1	544176384	FPTHJBPIJGVMHJ-UHFFFAOYSA-N	299.801	5.168	0	20	CKAD	
C[C@H](Sc1nccn1C1CC1)c1ccc2ccccc2c1	918157715	OZYFLLAPGOJFLL-ZDUSSCGKSA-N	294.423	5.225	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(C)s1)c1ccccc1	37062476	RTFBMIGPNJHDHH-GOEBONIOSA-N	273.445	5.249	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)o1	37280491	OFJUSRYWPVWPDM-ZIAGYGMSSA-N	283.371	5.054	0	20	CKAD	
C[C@H](Sc1ccc(-c2ccccc2)cc1)c1cccnc1	60430078	QCDUBLPACSNMFR-HNNXBMFYSA-N	291.419	5.602	0	20	CKAD	
Clc1ccccc1SCc1ccc2ccccc2n1	215921892	FBEHGSLNFLBNCS-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
C[C@@H](Sc1cc(Cl)ccc1Cl)c1cccnc1	618427102	PTAQXOICOHRZTP-SECBINFHSA-N	284.211	5.242	0	20	CKAD	
C[C@H](C(=O)Nc1ccccc1-c1cccs1)C1CCCC1	674077791	AJRCHMILCPZSQO-ZDUSSCGKSA-N	299.439	5.180	0	20	CKAD	
C[C@H](N[C@H](C)CCCC(F)(F)F)c1csc(Cl)c1	426021302	ZBCYPIVDTBSJJS-BDAKNGLRSA-N	299.789	5.173	0	20	CKAD	
CO[C@H](C)c1nc(-c2ccccc2)c(-c2ccccc2)s1	426190581	QEMKYBSHSIVXBK-CYBMUJFWSA-N	295.407	5.185	0	20	CKAD	
Cc1ccccc1[C@@H](C)Nc1cccc(-c2ncco2)c1C	427457732	LKKQZYSMZONJTC-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1CCC	464417303	BOSJSFJPIRQVQF-NVXWUHKLSA-N	287.447	5.137	0	20	CKAD	
C[C@H](Nc1ccc2ccn(C)c2c1)c1csc(Cl)c1	469192411	NAGOVOFJLBRTCV-JTQLQIEISA-N	290.819	5.066	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2ccc3c(c2)COC3)c1	538627174	BNAUCFKMYSPKFM-CYBMUJFWSA-N	299.439	5.002	0	20	CKAD	
FC(F)c1ccc(CSCc2ccc(Cl)cn2)cc1	555193982	GTEVPNRFNDFCMJ-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
Cc1occc1CN[C@@H](C)c1ccc(-c2cccs2)cc1	675780326	WSHDWHXTAKRMRV-ZDUSSCGKSA-N	297.423	5.167	0	20	CKAD	
COc1ccc(N[C@H](C)c2ccccc2Cl)cc1Cl	20553431	KFYRZJXQKGJFKB-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2cccc(F)c2)cc1	21038929	KRVAOJYWJKHCET-ZDUSSCGKSA-N	257.352	5.122	0	20	CKAD	
O=C(Nc1ccc(-c2ccccc2)cc1F)C1CCCCC1	31959120	WUCBSURRHMOCSY-UHFFFAOYSA-N	297.373	5.012	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(C)s1)c1ccccc1	37062477	RTFBMIGPNJHDHH-ZBFHGGJFSA-N	273.445	5.249	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc(OC(C)C)cc1	70090145	XVHRWLVZCCVFLY-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)/C=C/C1CCCCC1	253462308	KFHMSWUWWVTBOG-OUKQBFOZSA-N	285.431	5.193	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	302855708	KNXJHUINKFXLMS-RLFYNMQTSA-N	299.458	5.308	0	20	CKAD	
CC[C@@H](Nc1ccc(C)c2ncccc12)c1ccsc1	382180903	XSNJFOGXRYQMNX-OAHLLOKOSA-N	282.412	5.168	0	20	CKAD	
CC[C@H](Nc1ccc(COC)cc1)c1ccc(Cl)cc1	383582090	IDJVXJXDCUDALG-KRWDZBQOSA-N	289.806	5.050	0	20	CKAD	
Cc1coc(S[C@H](c2ccccc2)c2ccc(F)cc2)n1	478712111	RHRFNWDKSFBURR-MRXNPFEDSA-N	299.370	5.004	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1cc2ccncc2s1	657820871	KTNHVJNAUOAHMB-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CC(C)CCCCCC(=O)N1CCC[C@@H]1c1ccsc1	747874203	ANXFZCPLPUYQDE-MRXNPFEDSA-N	293.476	5.018	0	20	CKAD	
CCCCSCc1ncc(-c2ccc(Cl)cc2)o1	41392934	SEFLKSXOKUHFEQ-UHFFFAOYSA-N	281.808	5.028	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@H](C)c1ccc(Cl)cc1	163215492	YAQFKTGFTGVBJC-WDEREUQCSA-N	293.760	5.112	0	20	CKAD	
CCC[C@H](N[C@@H](C)CCCC(F)(F)F)c1ccsc1	426043279	NQSNXEYWKRDEPH-AAEUAGOBSA-N	293.398	5.300	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccsc1	482460531	QBJXTPGLDIKYII-PXAZEXFGSA-N	289.419	5.079	0	20	CKAD	
CCCC(C)(C)CC(=O)Nc1c(Cl)ccc(C)c1C	486094615	AQSUBYSBZNWULW-UHFFFAOYSA-N	281.827	5.112	0	20	CKAD	
CC[C@](C)(NCc1ccc(C(F)F)cc1)c1ccccc1	763884482	WTCVNRAAABZQCC-SFHVURJKSA-N	289.369	5.039	0	20	CKAD	
C[C@@H](Nc1ccc(SC(C)(C)C)cc1)c1ccoc1	777673578	MHVBGUFNVSTEJI-GFCCVEGCSA-N	275.417	5.343	0	20	CKAD	
CC/C=C(\C)C(=O)N(Cc1cccs1)C(C)(C)CCC	801751539	IDMPVBBBAHSMEJ-NTEUORMPSA-N	293.476	5.012	0	20	CKAD	
C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1Cl	21011787	KSWSMNNWUIRXRX-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2cccc(F)c2)cc1	21038935	KRVAOJYWJKHCET-CYBMUJFWSA-N	257.352	5.122	0	20	CKAD	
c1cc(SC2CCCC2)ccc1NC1CCSCC1	37085941	MWSTZDAYULDFCM-UHFFFAOYSA-N	293.501	5.029	0	20	CKAD	
Cc1cncc([C@H](C)N[C@H](C)c2cc3ccccc3s2)c1	184350416	GJIUDBALAWWOQH-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](NCc1ccc(F)c(C)c1)c1ccc(Cl)s1	512217780	ICDLTDCTNMCQDF-ZDUSSCGKSA-N	297.826	5.090	0	20	CKAD	
Cc1cc2cc[nH]c2cc1NC(=O)CCCCC(C)(C)C	553522098	GKKYYFZZHGMHIQ-UHFFFAOYSA-N	286.419	5.021	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)c2c(F)cccc2F)s1	610217605	AAWIJLKNTMWQDZ-VIFPVBQESA-N	299.411	5.033	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sccc21)c1ccccc1Cl	61325005	CESFGTUKJDAQKY-XHDPSFHLSA-N	291.847	5.130	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H]1CCc2c(C)cccc21	442862250	OGGVXSKZRHERJN-KBXCAEBGSA-N	297.467	5.055	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2cccc(F)c2o1)c1cccs1	474098780	OGLAYUDCIGBAAY-MNOVXSKESA-N	289.375	5.045	0	20	CKAD	
CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1-c1cccs1	502553082	GIYDHIPOAPPNRV-STQMWFEESA-N	287.428	5.036	0	20	CKAD	
Cc1ncsc1CCS[C@@H](C)c1ccc(Cl)cc1	509985632	YIBXEDGBRYEJLG-NSHDSACASA-N	297.876	5.142	0	20	CKAD	
C[C@@H](SCc1ccccn1)c1ccc(C(F)(F)F)cc1	539625395	QNKJLXXVDWPHMI-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CC[C@@H](C)CC	552190017	UAXNXQJFTBJCNT-HNNXBMFYSA-N	289.463	5.527	0	20	CKAD	
Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](C)C(C)C	603103461	QBVNFLMANMVQQV-OAHLLOKOSA-N	297.398	5.018	0	20	CKAD	
CC(C)c1ccc(C[S@@](=O)[C@H](C)C(C)C)c(C(C)C)c1	610294482	ITVDGGCFOMLBNJ-FOIQADDNSA-N	294.504	5.227	0	20	CKAD	
Cc1cc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)c(C)[nH]1	642302717	LWVQWDMYTHNRDD-UHFFFAOYSA-N	298.430	5.131	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C(C)=C(C)C	788488060	MIDNHUBKWPPQJI-UHFFFAOYSA-N	273.420	5.057	0	20	CKAD	
Cc1ccc(CNc2ccc3occc3c2)c(Cl)c1	864017336	GGNBEQRUYCDFFB-UHFFFAOYSA-N	271.747	5.007	0	20	CKAD	
Cc1oc(-c2ccsc2)nc1CSc1cccs1	117110179	CEYUUMVPBKWSFQ-UHFFFAOYSA-N	293.438	5.065	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccc(Cl)nc1	182697175	UAQRLSGJABMTSF-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
CCCCN(C(=O)C[C@@H]1C=CCC1)[C@H](CC)c1ccccc1	303604425	VOQNZMHDOABTRY-IEBWSBKVSA-N	299.458	5.123	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1OC(C)C	315660536	OOQVLPSVFOGFDJ-IAGOWNOFSA-N	297.442	5.194	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccco1	482549405	AXLCFYDLUBJOHZ-SJKOYZFVSA-N	289.806	5.125	0	20	CKAD	
Cc1ccc([C@H]2CCCCN2C(=O)CC2CCCCC2)cc1	525023549	SECJRMFTJGXATL-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CC(C)c1cnc(CNc2cccc3ccsc23)s1	541382262	UGDBFRLHQFHJQW-UHFFFAOYSA-N	288.441	5.093	0	20	CKAD	
c1ccc(-c2ccc(CNc3cccc4cc[nH]c34)o2)cc1	548146859	OBQSMDDIGHDRRK-UHFFFAOYSA-N	288.350	5.040	0	20	CKAD	
Cc1ccccc1[C@@H](SCc1ccon1)c1ccccc1	610136691	COBYTPXRPBBLHW-SFHVURJKSA-N	295.407	5.006	0	20	CKAD	
C[C@@H](c1cccc(-c2ccc(C(F)F)nc2)c1)C(F)F	906197499	NLJJEVBJGBUXPC-VIFPVBQESA-N	283.268	5.055	0	20	CKAD	
c1ccc2cc(CN[C@@H]3CCCc4sccc43)ccc2c1	61330948	GBDKLGUCTOGIPH-GOSISDBHSA-N	293.435	5.069	0	20	CKAD	
Fc1ccc(-c2ccc(Cl)cc2)cc1C(F)(F)F	63979947	DYNPEOYFYUQCJE-UHFFFAOYSA-N	274.644	5.165	0	20	CKAD	
CCCCCN(C(=O)Nc1cccc2ccccc12)C(C)C	516593765	WIKOCXIAUHRXMZ-UHFFFAOYSA-N	298.430	5.272	0	20	CKAD	
CCCCCS[C@@H](C)C(=O)Nc1ccccc1C(C)C	522756329	RLUSRASJKVVXCW-AWEZNQCLSA-N	293.476	5.060	0	20	CKAD	
CC[C@H](S[C@H](C)c1ncc(C)o1)c1ccc(F)cc1F	538849820	VDWUFSXILAPFPA-YGRLFVJLSA-N	297.370	5.207	0	20	CKAD	
C[C@@H](c1cccs1)N(C)Cc1ccc2ccccc2c1	680941225	ZXDROVMGXHBNTN-AWEZNQCLSA-N	281.424	5.094	0	20	CKAD	
Clc1ccsc1CN[C@@H](CC1CC1)c1ccccc1	683770482	DARRTEMINDJODZ-HNNXBMFYSA-N	291.847	5.033	0	20	CKAD	
Cc1cc(CNc2ccccc2CCC(F)(F)F)c(C)o1	767374077	VRXIMIODQYCXGD-UHFFFAOYSA-N	297.320	5.003	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(-c2ccccc2)cc1	773121605	RZYPROVLHUWQPK-HOTGVXAUSA-N	290.410	5.094	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc(N3CCCCC3)c2)oc1C	800485136	DZQODUMPZSJRPU-HNNXBMFYSA-N	298.430	5.060	0	20	CKAD	
CCC[C@H](N[C@@H]1CSCc2ccccc21)c1ccccc1	37300169	OOUTYZOQIBYTDJ-RBUKOAKNSA-N	297.467	5.106	0	20	CKAD	
c1ccc(SCc2ccccc2Oc2cccnc2)cc1	64853843	QHJGLDKZQLLDRS-UHFFFAOYSA-N	293.391	5.166	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)CC(C)(C)C)c(C)c1	499800232	OGUGPBAYOLYWDP-ZDUSSCGKSA-N	293.476	5.260	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H]1CCc2sc(Cl)cc21	517205328	STEPFKJMQUSRCA-MWLCHTKSSA-N	297.876	5.110	0	20	CKAD	
CC(C)c1cccc([C@@H](C)N[C@H](c2cccnc2)C2CC2)c1	527877158	OWOYRIKAOMGXFC-QRWLVFNGSA-N	294.442	5.007	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(F)c1)c1ccc(Cl)s1	532222391	XKTJWOUZKVSTGW-MFKMUULPSA-N	297.826	5.343	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](C)c1c(F)cccc1Cl	536878144	PXWLTHRKUCIONI-MNOVXSKESA-N	297.826	5.261	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@H](C)c1ccccn1	537753329	YNTVXXBMXOQQHA-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
C/C=C\c1ccc(N[C@@H]2CCCNc3ccccc32)cc1	554087057	UGPRDGKSXYWHMO-PKOAFFOQSA-N	278.399	5.079	0	20	CKAD	
CSc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1	23109433	GBSOBBHKXRCWOA-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
Cc1ccc([C@H](N[C@@H](C)c2ccc(C)s2)C2CC2)cc1	49160738	LGFGMBYVCRFYGE-KSSFIOAISA-N	285.456	5.167	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccccc1	96497046	KBWPOVSAUZHFTQ-VQIMIIECSA-N	267.416	5.105	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1cccs1	453279219	AEUPUKNWVQHCEU-SNVBAGLBSA-N	267.344	5.033	0	20	CKAD	
Cc1ccc(N[C@H](C)c2cccs2)cc1OC(C)C	494465600	BPFAIYNJGDBGHM-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
Cc1ccc([C@@H](N[C@@H](C)c2cc(C)c(C)o2)C2CC2)cc1	502391981	QQDFZHGAWSWPAE-IFXJQAMLSA-N	283.415	5.007	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccccc1F	531705784	TUMNJKWVCHKNER-KUHUBIRLSA-N	283.390	5.018	0	20	CKAD	
C[C@H](N[C@@H](CC(C)(C)C)c1ccc(F)cc1)c1ccco1	531938001	ZEECZENRJJRDOF-BBRMVZONSA-N	289.394	5.247	0	20	CKAD	
CC[C@@H](Nc1cccc([C@H](C)OC)c1)c1ccc(F)cc1	537529985	JCXZVEPCIOXLDS-SCLBCKFNSA-N	287.378	5.096	0	20	CKAD	
Cc1sccc1CNc1cccc(C(F)F)c1Cl	549804878	PQIZOZGHGMTPEC-UHFFFAOYSA-N	287.762	5.260	0	20	CKAD	
CCCC(=CC(=O)Nc1ccccc1C(F)(F)F)CCC	770645871	RSKNVYLPQUQVJO-UHFFFAOYSA-N	299.336	5.171	0	20	CKAD	
CC(C)c1ccccc1CNc1cccc(C(F)F)c1	864028505	YHGNHIIRHMBLSB-UHFFFAOYSA-N	275.342	5.360	0	20	CKAD	
CCC[C@H](NCc1ccc(SC)cc1)c1ccccc1	10436218	JFKUCNAIYUZKLO-SFHVURJKSA-N	285.456	5.040	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccc1Cl)c1cccs1	20545568	JKNYVQCCEDUBGL-RISCZKNCSA-N	279.836	5.203	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C(C)(C)C)o1	36994757	UXPGWRWVYPHJDL-RHSMWYFYSA-N	271.404	5.026	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C(F)(F)F)cc2)o1	37413461	YIKNMYSRCLJXQT-NWDGAFQWSA-N	297.320	5.019	0	20	CKAD	
C[C@H](S[C@@H](C)c1ccccc1Cl)c1cccnc1	63430537	PZZOAHRYHKSUCL-RYUDHWBXSA-N	277.820	5.290	0	20	CKAD	
Clc1ccc2c(c1)-c1cccc3c(Cl)ccc-2c13	136033713	ADBPUTUHSVGVSW-UHFFFAOYSA-N	271.146	5.794	0	20	CKAD	
CCCC[C@H](CC)Cn1c2ccsc2c2sccc21	204189096	AHYHFQFKENFADZ-LBPRGKRZSA-N	291.485	6.134	0	20	CKAD	
CSc1cccc(C)c1NCc1ccc(C(F)F)cc1	471971774	BYDALYANTBYSBI-UHFFFAOYSA-N	293.382	5.267	0	20	CKAD	
CC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1ccc(F)cc1	537529983	JCXZVEPCIOXLDS-FZKQIMNGSA-N	287.378	5.096	0	20	CKAD	
CCc1ccc([C@H](C)Nc2cccc(-c3nccs3)c2)o1	539733553	LHDMYYPKLHSCGP-LBPRGKRZSA-N	298.411	5.139	0	20	CKAD	
Cc1cc(C)c(NC(=O)C=C2CCC(C)CC2)c(Cl)c1	734101585	QBDRQAPTWCSQON-UHFFFAOYSA-N	291.822	5.032	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)s2)s1	36992240	CFCZBDYWQZSLLI-VHSXEESVSA-N	285.865	5.183	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccccc1	68691889	MXZHSGVFSIADOX-XJKSGUPXSA-N	296.439	5.098	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)c1ccc2ccccc2c1	80820932	IKURUSFGPKCELY-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
O=C(/C=C/C1CCCCC1)Nc1ccc(Cl)cc1Cl	253464129	QTIBYFQASOTTGP-RMKNXTFCSA-N	298.213	5.068	0	20	CKAD	
CC(C)c1ccc(S[C@H](C)c2cccnc2)cc1	409547979	GRVZUWDEMXITRM-CYBMUJFWSA-N	257.402	5.058	0	20	CKAD	
CC[C@@H](SC)C(=O)Nc1ccc(C(C)C)cc1C(C)C	437277906	RVUUMIMZBIKGRF-MRXNPFEDSA-N	293.476	5.014	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccsc1	443093185	LULPVPYRVXJKFT-IAQYHMDHSA-N	295.398	5.218	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccsc1	443097421	YAWRUWIZDBWSNW-ZBEGNZNMSA-N	295.398	5.218	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCCN2C(=O)C2CCCC2)cc1	489491035	VFBOKADOMNZKTK-LJQANCHMSA-N	299.458	5.054	0	20	CKAD	
Cc1ccsc1C(=O)Nc1cccc(-c2cccs2)c1	505854704	JEZRBSQCIGHNTC-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(Cl)cc1Cl	773116862	HQXFJXFXJKXDSZ-YGRLFVJLSA-N	297.229	5.123	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2Nc1ccc(COC(C)C)cc1	776873822	SDFKBIVCXWNTIX-HXUWFJFHSA-N	295.426	5.019	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1nccc2ccccc12	810229400	CYUQCNPSIYTMBI-HNNXBMFYSA-N	298.389	5.561	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1Cl	21020860	APCZNGCRZIFUMQ-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Cc1ccc(NC(=O)c2sccc2C(C)C)c(Cl)c1	48877024	DICIZBHKMIKDHJ-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
C[C@H](NCCC(C)(F)F)c1ccc(-c2ccccc2)cc1	379260931	MQOJCTFYGISXJB-AWEZNQCLSA-N	289.369	5.050	0	20	CKAD	
Cc1ccccc1-c1cnc(CSc2ccccc2F)o1	534527250	GOBHIKCWBRLJSD-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
C/C=C\c1ccc(N[C@H](C)c2nccc3ccccc23)cc1	580921602	SHYYDMXTBOOWAV-OMVNSRBRSA-N	288.394	5.441	0	20	CKAD	
CCCCN(CCCC)C(=O)Nc1ccccc1CCC	642489668	DXWWQLHUSCFKLV-UHFFFAOYSA-N	290.451	5.073	0	20	CKAD	
c1ccc(CN(Cc2cccs2)Cc2cccs2)cc1	680905614	LOJOQKOEXLQGIR-UHFFFAOYSA-N	299.464	5.012	0	20	CKAD	
Cc1ccc(F)c(CN[C@@H](C)c2csc3ccccc23)c1	735084354	KCBJDVKRPGYWLN-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc[nH]1)c1cccc(-c2ccccc2)c1	773121404	ZGPBCKSHVFXOAI-HOTGVXAUSA-N	290.410	5.094	0	20	CKAD	
C[C@H](Nc1ccc(SC(F)F)cc1)c1ccccc1	35019040	GWGGLLSKFOGVOO-NSHDSACASA-N	279.355	5.174	0	20	CKAD	
CC[C@H](NCc1cc2ccccc2o1)c1cccc(Cl)c1	36921224	VPCPCEWJWJNARF-KRWDZBQOSA-N	299.801	5.327	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2C(F)(F)F)o1	36960023	XMYBKBRAUPNNOC-VXGBXAGGSA-N	297.320	5.019	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H]2CCc3sc(Cl)cc32)cs1	453243528	CPLXOXXSZLXKIK-BXKDBHETSA-N	297.876	5.110	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccco1)c1ccc(Cl)cc1	462722970	CVJJEACERUFKBS-INIZCTEOSA-N	291.822	5.200	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@H](c2ncccc2C)C(C)C)c1	483141030	IZHWTYHMOKNTMI-MJGOQNOKSA-N	296.458	5.055	0	20	CKAD	
CC(C)c1cc(S[C@@H](C)c2ccc(Cl)cc2)ncn1	495494694	GBMLTPCVMDSMFW-NSHDSACASA-N	292.835	5.107	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)c1C	604413319	IPHTXYCIUCYQOJ-GJZGRUSLSA-N	287.834	5.369	0	20	CKAD	
CC[C@H](NCc1cccc(C(F)F)c1)c1ccccc1F	649740782	PHGNUUZSIALFCS-INIZCTEOSA-N	293.332	5.004	0	20	CKAD	
C[C@H](CSC1=Nc2ccccc2CS1)c1ccccc1	734981503	FBOOIOFOYIBGEC-CYBMUJFWSA-N	299.464	5.458	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(-c2ccccc2)cc1	773121606	RZYPROVLHUWQPK-HZPDHXFCSA-N	290.410	5.094	0	20	CKAD	
Cc1cccc(NC(=S)Nc2csc3ccccc23)c1	778529441	XSGMDUDJFSECEC-UHFFFAOYSA-N	298.436	5.019	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2ccc(C)cc2C)cc1	16243653	BNRBNKDETZGJEX-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc(-c3nc(C)c(C)o3)c2)o1	183019821	CJDGUDVOLKVBBD-CYBMUJFWSA-N	296.370	5.033	0	20	CKAD	
C[C@H](Nc1ccc2ncsc2c1)c1ccccc1Cl	226367355	GKHOSICKMKYWRR-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H]1CCc2c(C)cccc21	503893263	OGGVXSKZRHERJN-KDOFPFPSSA-N	297.467	5.055	0	20	CKAD	
CCC[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1	583098246	IXTKPVDVQCNDRR-AZUAARDMSA-N	295.426	5.144	0	20	CKAD	
c1ccc2cc(SCc3nc4ccccc4[nH]3)ccc2c1	589244842	PVANJRVPAGBBJE-UHFFFAOYSA-N	290.391	5.008	0	20	CKAD	
c1cc(C2CC2)ccc1NCc1cnc(C2CCCC2)s1	678498537	GADNXPOYNGXPKD-UHFFFAOYSA-N	298.455	5.290	0	20	CKAD	
CCN(C(=O)c1ccc(C(C)C)cc1)c1ccc(C)cc1C	914510342	DLFNNMNNSJFRAN-UHFFFAOYSA-N	295.426	5.094	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccccc1	96497043	KBWPOVSAUZHFTQ-QFBILLFUSA-N	267.416	5.105	0	20	CKAD	
Cc1c(CSC(C)C)cccc1NCc1cccs1	462764907	RNLZWBUPIZINSJ-UHFFFAOYSA-N	291.485	5.310	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C1CCC1)c1cccs1	482440782	RPGLGNZIKSZQKR-SJLPKXTDSA-N	285.456	5.330	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1ccc2ncsc2c1	485824871	SZLKZXSHQSLUSE-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc(CSCc2ncc(-c3ccccc3)o2)cc1	500269112	WUPAREBADQZRLP-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CC[C@@H](Nc1ccc2c(cnn2C(C)C)c1)c1cccs1	679148020	OHLPVKHRAXCMEB-OAHLLOKOSA-N	299.443	5.242	0	20	CKAD	
CC[C@@H](C)CCCCC(=O)N1CCC[C@@H]1c1ccsc1	680024435	INGYTKJGFMJYAA-GDBMZVCRSA-N	293.476	5.018	0	20	CKAD	
C[C@H](Nc1ccc(Nc2nccs2)cc1)c1ccccc1	725791863	ZEHJTEKPDLDMFG-ZDUSSCGKSA-N	295.411	5.060	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2)o1	36960331	RLOBZJIUFSDIGM-VXGBXAGGSA-N	297.320	5.019	0	20	CKAD	
CC(C)Sc1ccc([C@H](C)N[C@H](C)c2ccoc2)cc1	178621259	QJWDOKHWAODYHQ-UONOGXRCSA-N	289.444	5.192	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1	314170256	ZMIJHSHMZDXXDA-DLBZAZTESA-N	297.442	5.194	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(C)c1C)c1ccccc1	522383734	MMVULKKHOMYWEM-QFBILLFUSA-N	267.416	5.105	0	20	CKAD	
CC[C@@H](CC1CCCC1)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	527021360	GFHNZHIISNACBQ-SNRMKQJTSA-N	297.442	5.011	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1cnccc1C)C(C)(C)C	536774478	ANKMXZODSOBXID-VQIMIIECSA-N	296.458	5.136	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1	558256663	OGQPDJSHQMKDHX-VFQAQYNWSA-N	295.430	5.204	0	20	CKAD	
Cc1ccccc1[C@@H](C)NCc1ccc2sccc2c1	685656916	ZQSIQIPLPXFVRT-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2csc3ccccc23)c1	743475776	VQXHVUQOPCUXNF-LSDHHAIUSA-N	295.451	5.622	0	20	CKAD	
Cc1ccccc1[C@H](C)SCc1ncc(C(C)C)o1	764665319	FRFKVXIQSMLBAK-ZDUSSCGKSA-N	275.417	5.101	0	20	CKAD	
C[C@H](Sc1nccs1)c1cccc2ccccc12	63537994	CEGIEFVMEZUCIL-NSHDSACASA-N	271.410	5.150	0	20	CKAD	
CC[C@@H](C)[C@H](NCc1occc1C)c1ccc(Cl)cc1	462766367	QWXXMEUTHPYMDZ-PXAZEXFGSA-N	291.822	5.118	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C(C)C	475614113	UVJAVZJWABVQFG-DLBZAZTESA-N	287.447	5.164	0	20	CKAD	
Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(Cl)s1	498484683	OTLUGJRSOCLQRW-BXUZGUMPSA-N	291.847	5.048	0	20	CKAD	
Cc1cc(N2CCCC[C@H]2C)ccc1N[C@@H](C)c1ccoc1	540835738	WEXDVZHBYDSGBW-CVEARBPZSA-N	298.430	5.140	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C\c1ccco1	588564723	FEDYVMPBAXOLFG-QXMHVHEDSA-N	297.398	5.007	0	20	CKAD	
C[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)(C)C	734422029	NYWKUSTWFQTJNL-CQSZACIVSA-N	296.414	5.051	0	20	CKAD	
Cc1cccc([C@H](C)Nc2cccc(N3CCCCC3)c2)c1	743471922	FPSBIGBIRONVTE-KRWDZBQOSA-N	294.442	5.158	0	20	CKAD	
CC(C)c1ccccc1NC(=O)CCCSC(C)(C)C	753917858	SZKQFPXPWWOCTP-UHFFFAOYSA-N	293.476	5.060	0	20	CKAD	
C[C@H](Nc1ccc(SC2CCCC2)cc1)c1cccnc1	37085910	CQKRBJNUNRMFCW-AWEZNQCLSA-N	298.455	5.289	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)c2ccco2)s1	41640197	KTROWGKVGHESGF-KSSFIOAISA-N	297.423	5.090	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)c(C)o1	315537170	JURZULHNOCSTLE-LLVKDONJSA-N	296.370	5.088	0	20	CKAD	
CC1(C)CCC[C@@H]1C(=O)Nc1ccccc1-c1cccs1	475492771	MKPWXNVGZDNTKD-CQSZACIVSA-N	299.439	5.180	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1	502425976	FGBLGRIDLTVNSA-HNNXBMFYSA-N	297.446	5.295	0	20	CKAD	
Cc1ccc(F)c(CN[C@H](C)c2oc3ccccc3c2C)c1	523937971	PBKKHYKLJAEBRT-CQSZACIVSA-N	297.373	5.040	0	20	CKAD	
CCCc1ccccc1NC(=O)CC/C=C\c1ccccc1	606174256	JHONKEQHBSXTEN-MLPAPPSSSA-N	293.410	5.071	0	20	CKAD	
Clc1ccc(CNc2ccc(-c3ccccc3)cc2)cn1	857328282	XPMPTZDOWSDYGI-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
CC(C)c1cnc(SCCC(F)=C(F)F)n1C(C)C	863307845	ISVLHGAZIUVPOJ-UHFFFAOYSA-N	292.370	5.147	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1	20549917	UTARDLDJOPSRRW-LBPRGKRZSA-N	295.304	5.067	0	20	CKAD	
COc1ccccc1N[C@@H](C)c1ccc2ccccc2c1	21061257	YEBULWSLPRHPRO-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
COc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)cc1	21819529	SBFIKEMRXAJCOB-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(SC)cc1)c1ccccc1	36994435	NPNFXTXHRZGOMS-RDTXWAMCSA-N	285.456	5.210	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc2ccccc12)c1nccs1	80264297	VUGFVGPXPFUHKD-DYVFJYSZSA-N	296.439	5.098	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2ccccc2s1)c1ccc(F)cc1	121983500	MBSPOSOYIVYQNS-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@@H]3CCCc4occc43)oc2c1	495259976	OTDSTJIYWQWHOE-XJKSGUPXSA-N	295.382	5.062	0	20	CKAD	
CCC[C@H](C)CC(=O)Nc1c(CC)ccc(Cl)c1CC	499339454	DZTRDCRETGMALU-LBPRGKRZSA-N	295.854	5.230	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)F)cc1)c1cccc(C)c1	565263449	WYOJKZYGGTVESA-QGZVFWFLSA-N	289.369	5.174	0	20	CKAD	
Cc1ccc([C@H]2CCCN2C(=O)CCC2CCCCC2)cc1	641898833	SYQNQCXBTWHLQU-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccsc1	669851247	YTFBCOIRETWTGW-MEDUHNTESA-N	291.847	5.130	0	20	CKAD	
CC1CCC(=CC(=O)Nc2cccc(Cl)c2Cl)CC1	734098976	MXBAJVQHUOHENA-UHFFFAOYSA-N	298.213	5.068	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1cncc(C)c1)c1ccccc1	768221762	VRONFDYERBIZPV-YLJYHZDGSA-N	296.458	5.362	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1cc2ccccc2[nH]1	924592615	SMEWQZDSWRTAPY-XIKOKIGWSA-N	296.439	5.031	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)cc2)cc1	36994397	PBCWOPXIDMNWHA-LSDHHAIUSA-N	285.456	5.129	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc2ccccc2o1)c1ccccc1	37070914	XGRSFMWSVSBEHX-RHSMWYFYSA-N	279.383	5.235	0	20	CKAD	
Cc1cc(C)cc(CNc2cccc(-c3nccs3)c2)c1	43393640	NGJRRNXVVHIJJB-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)s1	49160440	DDCIRQVSRYWEJG-KBPBESRZSA-N	299.439	5.523	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sccc21)c1cc2ccccc2o1	61327274	YXMRLXNEZYPCAP-WFASDCNBSA-N	297.423	5.223	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cnc2ccsc2c1)c1ccccc1	68691893	MXZHSGVFSIADOX-CZUORRHYSA-N	296.439	5.098	0	20	CKAD	
C=Cc1ccc(-c2ccc(CCCCCC)s2)s1	95093188	LEVVIGBHOWMXHU-UHFFFAOYSA-N	276.470	6.242	0	20	CKAD	
Clc1ccc(Cc2cccc3ccccc23)cc1	98179029	LQSUHLTZOMISPI-UHFFFAOYSA-N	252.744	5.084	0	20	CKAD	
CCCCN(C(=O)C[C@H]1C=CCC1)[C@H](CC)c1ccccc1	303604430	VOQNZMHDOABTRY-PKOBYXMFSA-N	299.458	5.123	0	20	CKAD	
C[C@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1cccs1	484289901	CIOUOBGHLHEASE-BLLLJJGKSA-N	291.435	5.325	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1ccco1)c1cccs1	539067179	BGCRPSRMTLMQPI-MLGOLLRUSA-N	277.433	5.169	0	20	CKAD	
Cc1noc([C@H](C)S[C@H](C)c2cccc3ccccc23)n1	604436079	KQKDVGVLNTXVDS-NEPJUHHUSA-N	298.411	5.087	0	20	CKAD	
CSc1cccc(N[C@@H](CC(C)C)c2ccncc2)c1	647296102	INBSWSGCJUWIJZ-KRWDZBQOSA-N	286.444	5.003	0	20	CKAD	
Clc1sccc1CN[C@@H](CC1CC1)c1ccccc1	682942983	UCTKMWHLBHBRFU-HNNXBMFYSA-N	291.847	5.033	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2cc3ccccc3s2)c(C)c1	18114262	IHVUWKZFHPFTHV-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
CC[C@H](NCc1cccc2ccccc12)c1cccs1	48416854	UGGLJMCHLHJVMH-KRWDZBQOSA-N	281.424	5.142	0	20	CKAD	
C=Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1	192150885	UOOGNSUGYUOSFG-UHFFFAOYSA-N	279.383	5.014	0	20	CKAD	
Cc1ccoc1CN[C@H](C)c1ccc(-c2ccccc2)s1	426350453	XTZFCRYXEQIHGU-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccccc1	531961089	USMSKEJHCDAPHK-AUUYWEPGSA-N	283.390	5.018	0	20	CKAD	
Cc1ccc(-c2ncco2)cc1N[C@H](C)c1ccccc1C	535403141	SONDIHHVNUKWPT-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCN2C(=O)CC2CCCC2)cc1	536291494	OYJOAXCOHPKNSZ-IBGZPJMESA-N	299.458	5.054	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H]2CCCc3cc(F)ccc32)c1	539735401	YYMDRIFVPNRBSK-BFUOFWGJSA-N	299.389	5.023	0	20	CKAD	
CC[C@H](N[C@H]1CCC(F)(F)C1)c1cccc2ccccc12	682139001	PDSCOJFKEMKLIS-YOEHRIQHSA-N	289.369	5.068	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)NCc2ccc(C(F)F)cc2)c1	131345787	JABGVZYQXJEIBM-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1ccncc1	194020757	LOAVDCWETLWTKV-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
CC[C@H](NCc1cccc2ccccc12)c1ccc(F)cc1	315537778	BIBBAYMYVVPGRE-FQEVSTJZSA-N	293.385	5.220	0	20	CKAD	
CCC[C@H](NCc1cc2cc(F)ccc2o1)c1ccccc1	360845564	NGGGRDQNVFQOCH-SFHVURJKSA-N	297.373	5.203	0	20	CKAD	
CC(C)[C@H](NCc1sccc1Cl)c1ccc(F)cc1	394077528	FDWLLNMXJHMPTM-HNNXBMFYSA-N	297.826	5.028	0	20	CKAD	
Cc1nc(C(C)C)oc1CSCc1ccc(Cl)cc1	436475690	PCHOBPOTARQIDN-UHFFFAOYSA-N	295.835	5.193	0	20	CKAD	
CC(C)c1ccc(NC(=O)CCc2ccoc2)c(C(C)C)c1	439780910	MEYBCRNZBPUIKS-UHFFFAOYSA-N	299.414	5.098	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(Cl)c2ccccc12)c1ccco1	462846486	VOMIJIPDHIHHTA-STQMWFEESA-N	299.801	5.498	0	20	CKAD	
COc1ccsc1[C@H](C)Nc1cccc2ccccc12	471601501	JKTYMPKVODLKSB-LBPRGKRZSA-N	283.396	5.083	0	20	CKAD	
c1csc([C@H](NCc2cc3ccccc3s2)C2CC2)c1	531818218	CVAZUEHGFKISMI-QGZVFWFLSA-N	299.464	5.204	0	20	CKAD	
CC[C@H](S[C@@H](C)c1ncc(C)o1)c1ccc(F)cc1F	538849817	VDWUFSXILAPFPA-HZMBPMFUSA-N	297.370	5.207	0	20	CKAD	
c1ccc(CSc2ccccc2NCc2ccoc2)cc1	770511913	GLACCPUJSSSVMH-UHFFFAOYSA-N	295.407	5.184	0	20	CKAD	
c1cncc([C@H](Nc2ccc3ccccc3c2)C2CCC2)c1	795812320	RNGYWSCSINOXIZ-HXUWFJFHSA-N	288.394	5.188	0	20	CKAD	
Cc1ccc2oc(-c3cccc(C(F)(F)F)c3)cc2c1	38979917	FVEATMAKOSNGPJ-UHFFFAOYSA-N	276.257	5.427	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(C(C)(C)C)cc2)s1	49157682	WVLBGNCXLLQMIH-CQSZACIVSA-N	287.472	5.205	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)c1	315254826	WHQTYZFZRYTKIE-IRXDYDNUSA-N	297.442	5.194	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc3nc(C4CC4)oc3c2)s1	538550046	QODPYZQAJONNIV-LLVKDONJSA-N	298.411	5.248	0	20	CKAD	
CC[C@H](Nc1ccc(CSC)cc1)c1cccs1	539735518	GARQDCILRLFZPA-AWEZNQCLSA-N	277.458	5.174	0	20	CKAD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1cnn(C2CCCC2)c1	669703230	ROSQOSCFXAOZAV-CQSZACIVSA-N	295.430	5.049	0	20	CKAD	
Cc1occc1CN[C@@H](c1cc2ccccc2o1)C(C)(C)C	679386972	SNADCPOQJAWNOH-SFHVURJKSA-N	297.398	5.211	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)/C=C\C(C)(C)C	731897133	RRVMHDQFIXTPPV-QXMHVHEDSA-N	287.447	5.474	0	20	CKAD	
C/C(=C/Cl)CSCc1nc(-c2ccccc2)oc1C	797810104	KNGREIYIOIRYMU-FLIBITNWSA-N	293.819	5.026	0	20	CKAD	
CCSc1cccc(CNc2ccc3occc3c2)c1	864017323	FPLJKFHYEIWLFG-UHFFFAOYSA-N	283.396	5.157	0	20	CKAD	
Fc1ccc(-c2nc(CSC3CCCC3)cs2)cc1	58871231	HAFMKWZGQCDHHZ-UHFFFAOYSA-N	293.432	5.125	0	20	CKAD	
CC(C)c1ccc(NCc2nccs2)c(C(C)C)c1	110922571	NHYXNJFZXKLTII-UHFFFAOYSA-N	274.433	5.002	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2ccc(Cl)s2)c1	130197629	WRBVGWLWHNFDIM-LLVKDONJSA-N	295.835	5.111	0	20	CKAD	
CCC[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccccc1	360933724	UUNMTONRGHRPDY-RTBURBONSA-N	295.426	5.031	0	20	CKAD	
c1ccc2ncc(CNc3cccc4ccsc34)cc2c1	386382051	DMZLIPSOXBNNLI-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1nc(C(C)C)oc1CSc1cccc(Cl)c1	436476677	SQQZGRNRWRUYTP-UHFFFAOYSA-N	281.808	5.052	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1ccc(Cl)cn1	462938856	KCTCWLDSHZWSNK-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
Cc1cc(CN[C@H](C)c2ccsc2)c2[nH]c(C)c(C)c2c1	482335010	SMCMWPOWJPCFGZ-CQSZACIVSA-N	298.455	5.005	0	20	CKAD	
CCC[C@@H](C)CC(=O)Nc1ccccc1-c1cccs1	499287542	LJJWTXINSLIWCA-CYBMUJFWSA-N	287.428	5.180	0	20	CKAD	
CC[C@H](NCc1ccc(C)c(C)c1)c1ccc(Cl)s1	512244747	QQHHIYPMOXJRAV-AWEZNQCLSA-N	293.863	5.259	0	20	CKAD	
CC(C)C[C@@H](N[C@@H](C)c1ccccc1)c1cccs1	536873810	AQHQFAWKTUMURG-GOEBONIOSA-N	273.445	5.186	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2c(C)cccc2C)s1	545519474	MEFTVOCPEGKLQI-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
CCC/C=C\C(=O)Nc1c(C(C)C)cccc1C(C)C	729330743	PVMSKUJCHHKNEQ-WQLSENKSSA-N	273.420	5.228	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1ccc(C(F)(F)F)cc1	50342433	FJGDIETWKDRWIG-WDEREUQCSA-N	299.361	5.179	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sccc21)c1csc(Cl)c1	191504988	BXVJMJRXSJNXCU-SKDRFNHKSA-N	297.876	5.191	0	20	CKAD	
Cc1nc(CSc2cc(Cl)ccc2Cl)cs1	255939827	VGZAGMLOMMSAJH-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)CC2CCC2)c(C)c1	463623777	NKQRTSMUOKIGDJ-ZDUSSCGKSA-N	291.460	5.014	0	20	CKAD	
FC(F)(F)CCSCc1cccc2ccccc12	477067811	IJRPTHBCFQAENZ-UHFFFAOYSA-N	270.319	5.025	0	20	CKAD	
O=C(Nc1cccc(C(F)F)c1)c1ccc2ccccc2c1	507123067	VDLUMZAZJTYURL-UHFFFAOYSA-N	297.304	5.030	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1ccoc1)C(C)(C)C	532521958	CCDLOEJVUGODQU-YOEHRIQHSA-N	271.404	5.026	0	20	CKAD	
CC[C@@H](S[C@H](C)c1ncc(C)o1)c1ccc(Cl)cc1	537747935	GCGVUERVVCQOFV-BXUZGUMPSA-N	295.835	5.582	0	20	CKAD	
CC(C)[C@H](NCc1ccco1)c1ccc(Cl)c(Cl)c1	538060123	KXKJJHKGAARTLI-HNNXBMFYSA-N	298.213	5.073	0	20	CKAD	
Cc1ccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)cc1	641898832	SYQNQCXBTWHLQU-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
Cc1ccsc1CN[C@H](CC(C)(C)C)c1ccccc1	37128504	KWHRWWQPGMVACV-MRXNPFEDSA-N	287.472	5.324	0	20	CKAD	
Cc1ccccc1[C@H](C)Nc1cccc(-c2nccs2)c1	37778296	OYSMUAOMOFIYTL-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
CCc1ccc(CN[C@H](C)c2cccc3ccccc23)s1	51717299	JMWRINXKOPRGML-CQSZACIVSA-N	295.451	5.315	0	20	CKAD	
Cc1cccc(NC(=O)Nc2ccccc2C(C)C)c1C	244426769	YWTDVLFNODZITF-UHFFFAOYSA-N	282.387	5.071	0	20	CKAD	
C[C@H](NCc1ccc(C2CC2)cc1)c1cc2ccccc2o1	317068932	VBJDFNSKUIDCJY-AWEZNQCLSA-N	291.394	5.161	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccsc1	382169777	VYFUZVZWFGTYAN-IAGOWNOFSA-N	287.472	5.576	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cccc3ccccc23)c1	386285184	PEXBGBPPOUWWAM-IAGOWNOFSA-N	289.422	5.560	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1cccc(C)c1	409865537	GFIGJSOZRDPFRZ-HUUCEWRRSA-N	285.456	5.129	0	20	CKAD	
CCC(CC)S[C@@H](C)c1nc(-c2ccccc2C)no1	466633918	GTNGSUDYAXCQNF-LBPRGKRZSA-N	290.432	5.028	0	20	CKAD	
C[C@@H](Sc1ccccn1)c1cccc2ccccc12	516704431	BLCKBMRWQQCYIQ-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
Cc1ncc(CS[C@@H](C)c2cccc(Cl)c2)s1	518819324	HNAACKFNNBTAEM-VIFPVBQESA-N	283.849	5.099	0	20	CKAD	
C[C@H]1CSC(S[C@@H](C)c2ccc3ccccc3c2)=N1	766296158	ZZPLEFQRTGAQSM-RYUDHWBXSA-N	287.453	5.125	0	20	CKAD	
Cc1cc(C)c([C@H](C)N[C@H](C)c2ccsc2)c(C)c1	61360794	NKQCCKLQXXWBRI-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCc2sccc21)c1cccc(F)c1	166576275	CIVADKPRYZYLTR-HZPDHXFCSA-N	289.419	5.006	0	20	CKAD	
CSc1ccc(C)c(NCc2cccc(C(F)F)c2)c1	480143454	ZLWJTLCZEUMLGC-UHFFFAOYSA-N	293.382	5.267	0	20	CKAD	
Cc1cc(CNCc2ccsc2)ccc1-c1ccccc1	494233950	MEKHYCPZWCRPAW-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](C)c1c(C)cccc1C	574681032	HXIHKINRUUHXIB-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
Cc1nc(CSc2ccc(-c3ccccc3)cc2)cs1	71962605	HRJCJZWOFFXUIL-UHFFFAOYSA-N	297.448	5.411	0	20	CKAD	
FC1(F)CCC[C@H](c2cc(-c3ccccc3)ccn2)C1	95831269	WPZUEBKIWMXZPO-HNNXBMFYSA-N	273.326	5.042	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)c1	96497084	VYXNAVMWPLTXDX-CABCVRRESA-N	287.834	5.369	0	20	CKAD	
CC[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cn1	131211807	JSPLLEJJNWAWLR-CYBMUJFWSA-N	299.176	5.091	0	20	CKAD	
c1cc(NCc2cnc(C3CCC3)s2)cc(C2CCC2)c1	462855859	DHGVUSANRHAFMF-UHFFFAOYSA-N	298.455	5.290	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cccc(Cl)c2Cl)oc1C	558623569	WWSXSRMYCLVDQZ-SNVBAGLBSA-N	298.213	5.054	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1ccc(C(C)(F)F)cc1	645478980	JEPGZUWLXFBWJV-GFCCVEGCSA-N	295.398	5.019	0	20	CKAD	
CC(C)c1ccc([C@H](C)N[C@H](c2ccccn2)C(C)C)cc1	766083560	XZJSSKQNLOGOOF-JXFKEZNVSA-N	296.458	5.253	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1cccc2ccccc12	21027188	AQMBRVVWXXTWGR-UONOGXRCSA-N	281.424	5.313	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(Cl)c(Cl)c2)c(C)o1	44729278	JYTZAHRIZLXUFM-SNVBAGLBSA-N	298.213	5.054	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](c1ccccc1)c1ccco1	70091047	IHIGFIHEDADALN-WMLDXEAASA-N	297.423	5.090	0	20	CKAD	
CC[C@H](N[C@H]1CCc2sc(Cl)cc21)c1ccccc1	129639788	JSOBKVTWUBQGIW-KBPBESRZSA-N	291.847	5.130	0	20	CKAD	
CC(C)(C)Sc1ccc(NC(=O)C2CCCCC2)cc1	303158245	OWTODGZYOCVSAM-UHFFFAOYSA-N	291.460	5.096	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2csc(C)c2)cc1	381327805	ANDDTTBIOBWGNG-CHWSQXEVSA-N	291.485	5.190	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](CC(F)F)c2ccccc2)c1	421886669	VGUFRQXXEGIVSV-RHSMWYFYSA-N	289.369	5.042	0	20	CKAD	
C[C@@H](Nc1csc2ccccc12)c1ccsc1	495414145	GXLZRAVROCWSHG-SNVBAGLBSA-N	259.399	5.136	0	20	CKAD	
Clc1ccc(CN[C@@H](CC2CC2)c2ccccc2)s1	539021267	YKTYVTKGQIOYOP-HNNXBMFYSA-N	291.847	5.033	0	20	CKAD	
CC[C@@H](Sc1nc(C)c(C)s1)c1ccccc1	741856432	ULGTUSRZDWOSOW-CYBMUJFWSA-N	263.431	5.003	0	20	CKAD	
CCc1nc(C)c([C@H](C)Nc2ccc3ccccc3c2)s1	776782855	LYHQFEBJEZKOBA-LBPRGKRZSA-N	296.439	5.340	0	20	CKAD	
Cc1cc2cc[nH]c2cc1NC(=O)C(C)(C)C1CCCCC1	781543788	CRAUUFOJRDOHER-UHFFFAOYSA-N	298.430	5.021	0	20	CKAD	
Clc1ccc2c(-c3cncc4ccccc34)ccnc2c1	793367798	OAQLEJNOPYMNQP-UHFFFAOYSA-N	290.753	5.103	0	20	CKAD	
Fc1ccc(/C=C(\Cl)c2nc3ccccc3s2)cc1	7907689	YQHASBAQMHGSLD-XFXZXTDPSA-N	289.762	5.172	0	20	CKAD	
CC[C@H](N[C@@H](C)c1oc2ccccc2c1C)c1cccs1	49529428	YLIGSERLVUCPQO-ZFWWWQNUSA-N	299.439	5.605	0	20	CKAD	
Cc1ccccc1SCc1cc(-c2cccs2)on1	59929331	FJEKFXPGWFPHNY-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CCC[C@@H](NCc1ccsc1Cl)c1ccccc1	312571059	IQMPYMSXFDFIJJ-CQSZACIVSA-N	279.836	5.033	0	20	CKAD	
CC[C@H](NCc1cccc2ccccc12)c1ccsc1	382111086	KXBNUEFUGHIMIU-SFHVURJKSA-N	281.424	5.142	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](CC(F)F)c2ccccc2)cc1	421891173	YMPJHFKSMFWMGP-YOEHRIQHSA-N	289.369	5.042	0	20	CKAD	
C[C@H](NC1(c2ccccc2F)CC1)c1cccc(C2CC2)c1	550751099	HEYRCJNHWYKFFI-AWEZNQCLSA-N	295.401	5.043	0	20	CKAD	
CC[C@@H](Nc1cccc(N2CCCCC2)c1)c1ccccc1	732918529	JOWUYBNAEMBYBM-HXUWFJFHSA-N	294.442	5.240	0	20	CKAD	
C(=C\c1nc2c(ccc3ccccc32)s1)\c1cccnc1	48520993	WZSRHALCTLYKJX-YFHOEESVSA-N	288.375	5.015	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2cccc3ccccc23)s1	111359357	OJFVCOONJTTWOK-GFCCVEGCSA-N	282.412	5.086	0	20	CKAD	
CCO[C@H](C)c1nc(-c2ccc(C(C)C)cc2)cs1	437652427	FTQKKOPHPUXMIK-GFCCVEGCSA-N	275.417	5.031	0	20	CKAD	
CC[C@H](C)c1ccc(-c2csc([C@H]3CCCO3)n2)cc1	441368910	CJASLRKHKFJZQC-BLLLJJGKSA-N	287.428	5.175	0	20	CKAD	
Cc1cnc([C@@H](C)SCc2ccc(C3CCC3)cc2)o1	485604396	UNPDVWVFGKLSFS-CYBMUJFWSA-N	287.428	5.245	0	20	CKAD	
CCCC[C@H](C)C(=O)Nc1ccccc1-c1ccccc1	500029194	ZVNWGKQVONYQKS-HNNXBMFYSA-N	281.399	5.118	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1cccnc1Cl	777708569	NHCLKYGZBCUGED-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
Cc1sccc1CN[C@H](C)c1csc2ccccc12	815123685	LQMLCNNERSOKKX-LLVKDONJSA-N	287.453	5.122	0	20	CKAD	
CC1(C(=O)Nc2ccc(-c3ccccc3)cc2F)CCCC1	914733673	VLXSMRYCVZVXHP-UHFFFAOYSA-N	297.373	5.012	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1ccccc1C(F)(F)F	19878263	OUAQIABURQTBNA-OLZOCXBDSA-N	293.332	5.117	0	20	CKAD	
CSc1ccc(N[C@H](C)c2ccc3ccccc3n2)cc1	182815999	UNIDIKZDDMKVHO-CYBMUJFWSA-N	294.423	5.130	0	20	CKAD	
CC(C)C[C@H](N[C@H]1CCCc2occc21)c1cccs1	447532529	ULUHHXSRPITPTD-GJZGRUSLSA-N	289.444	5.096	0	20	CKAD	
CSc1ccccc1[C@@H](C)NCc1cc2ccccc2o1	500448014	TUNBWECCNLNMJE-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)oc1C	502686113	UFQDXJAALSUHMC-SCLBCKFNSA-N	289.394	5.083	0	20	CKAD	
C[C@@H](Sc1cccc2cccnc12)c1ccc(F)cc1	502827564	NMUVBQLLEWMFTL-GFCCVEGCSA-N	283.371	5.227	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2cccc(-c3nccs3)c2)o1	539733552	LHDMYYPKLHSCGP-GFCCVEGCSA-N	298.411	5.139	0	20	CKAD	
CCC[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1	583098250	IXTKPVDVQCNDRR-UYAOXDASSA-N	295.426	5.144	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc3ccccc3c2)s1	49157694	XPAXZQQTHONYRE-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCC[C@@H](NCc1ccc(Cl)cc1)c1ccsc1	443088285	AIEDGNAYEICHPJ-OAHLLOKOSA-N	279.836	5.033	0	20	CKAD	
CCC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1ccsc1	443098174	ZDPDYWUJORIJMK-CXAGYDPISA-N	289.444	5.409	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2csc(Cl)c2)cc1	468888520	IAPZGLMVODQFOY-NSHDSACASA-N	295.835	5.111	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](C)c1oc2ccccc2c1C	477867397	XYQMZZSIMRURNI-ZIAGYGMSSA-N	299.439	5.523	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@@H](CC)c2ccccc2)cc1	495432542	JECNRCOTHCCNDK-KXBFYZLASA-N	299.483	5.601	0	20	CKAD	
Cc1cc(CS[C@@H](C)c2cccc3ccccc23)no1	522299880	BFHYWGPFAFVMGN-ZDUSSCGKSA-N	283.396	5.131	0	20	CKAD	
Cc1ccc(C)c(N[C@@H](C)c2nccc3ccccc23)c1	571249331	HXCMWFHDPNMYBA-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
CC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1	50198423	QKNALTPEWKEHPA-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
CSc1cccc(NCc2cccc(C(F)F)c2)c1C	480131687	DLCMFPQGKAXJOV-UHFFFAOYSA-N	293.382	5.267	0	20	CKAD	
CC(C)(C)CCCC(=O)Nc1ccccc1OC(C)(C)C	523731893	GLXXKSZVOQATDE-UHFFFAOYSA-N	291.435	5.019	0	20	CKAD	
CC(C)c1nc(CNc2cccc3ccsc23)cs1	533092023	SRMUDBAMOQQMRR-UHFFFAOYSA-N	288.441	5.093	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2ccc(-c3cccs3)cc2)o1	620759323	REAJVQDMJYZGNO-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
Cc1nc(-c2ccc(N[C@H](C)c3ccccc3)cc2)oc1C	678348713	FUQLHGUVCCQAFB-CQSZACIVSA-N	292.382	5.132	0	20	CKAD	
CCCCc1ccc(N[C@@H](C)c2c(CC)noc2C)cc1	776792306	FTVYCSBNIGOUFP-ZDUSSCGKSA-N	286.419	5.061	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccccc1	19878267	OUAQIABURQTBNA-CHWSQXEVSA-N	293.332	5.117	0	20	CKAD	
CCc1c([C@H](C)NCc2cc(C)cs2)oc2ccccc12	379269567	LKKHGFFIIBQAMY-ZDUSSCGKSA-N	299.439	5.216	0	20	CKAD	
Cc1cc2c(cc1C)[C@@H](N[C@@H](C)c1ccccc1)CCS2	427576830	GSEIZPXAKMBVQZ-YJBOKZPZSA-N	297.467	5.191	0	20	CKAD	
CC(C)(c1ccc(NCc2cccs2)cc1)C(F)(F)F	428531000	KFRUINFBHLGQPS-UHFFFAOYSA-N	299.361	5.200	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2cc(C)c(C)cc2C)c(C)s1	437654446	LODKXGKRHFOBIJ-ZDUSSCGKSA-N	289.444	5.141	0	20	CKAD	
CC(C)(C)Oc1ccccc1NCCCCC(F)(F)F	443459884	HXXKFMZMEVUCKN-UHFFFAOYSA-N	289.341	5.008	0	20	CKAD	
FC(F)c1ccc(CNCc2ccc3ccccc3c2)cc1	462660014	UAENDUXLARPJLK-UHFFFAOYSA-N	297.348	5.067	0	20	CKAD	
CCC[C@@H](C)CC(=O)Nc1c(CC)ccc(Cl)c1CC	499339453	DZTRDCRETGMALU-GFCCVEGCSA-N	295.854	5.230	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CC1CCC(C)CC1	524537609	XTGZILSRJYUVQC-UHFFFAOYSA-N	287.447	5.273	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccon1)c1ccc(C2CCCCC2)cc1	543627378	VPBTXIOJIZYURV-GJZGRUSLSA-N	298.430	5.134	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2ccc(CC)s2)c1	561881423	GSHLQZLRVZTOLH-ZDUSSCGKSA-N	289.444	5.020	0	20	CKAD	
CC[C@H](Nc1ccc(OC)c(SC)c1)c1cccs1	840773282	DRGLKGHWYBZNFJ-LBPRGKRZSA-N	293.457	5.042	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCSc3ccccc32)cc1C	37128058	XHDFBBHIEQGUBY-YJBOKZPZSA-N	297.467	5.191	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(C(C)(C)C)cc2)c(C)o1	44729264	JBIHKFYQVDMLEU-CQSZACIVSA-N	285.431	5.045	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2)s1	49158672	JZHNNWCWXVDPGT-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccccc1Oc1ccc(C)cc1	71940893	FMIKMKKAUQRKOB-CHHVJCJISA-N	295.382	5.082	0	20	CKAD	
C[C@@H](CSC1CCC(C(F)(F)F)CC1)C(F)(F)F	451039776	ZMKKFJXOGHFWNH-UEJVZZJDSA-N	294.304	5.039	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H]2CCCc3sccc32)c1C	468033894	PIQAIQOCINBVMC-YOEHRIQHSA-N	285.456	5.093	0	20	CKAD	
Cc1ccsc1CNc1cccc(Cl)c1OC(C)C	522840448	LBWBLTUKJDBYSV-UHFFFAOYSA-N	295.835	5.109	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccc(F)cc1	523386138	LTEMYNAJVNQIOP-KXBFYZLASA-N	285.406	5.244	0	20	CKAD	
Cc1ncccc1CNc1ccccc1SC1CCCC1	537730998	QWPYXFHRWOEMLB-UHFFFAOYSA-N	298.455	5.037	0	20	CKAD	
CC[C@H](Nc1ccc(N(C)C)cc1)c1ccc(Cl)s1	777602390	MQVQNJLUSURFHF-ZDUSSCGKSA-N	294.851	5.031	0	20	CKAD	
CCC[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccsc1	443092538	JSBNLTDPJJAKMF-DLBZAZTESA-N	289.419	5.006	0	20	CKAD	
CS[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1C(C)C	533797628	JXAWWQVFLGAFOV-CYBMUJFWSA-N	293.476	5.014	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(F)c2ccccc12)c1ccsc1	556178672	GVJZEQQGEAJUTF-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
Cc1ncsc1CS[C@@H](C)c1cccc(Cl)c1	578705351	UCEQKFLLPXVWIF-JTQLQIEISA-N	283.849	5.099	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2csc3ccccc23)o1	765836166	VKGOYVUZNKFOSA-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1	815619331	KDTZIEWRTAKCSU-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
CCCOc1ccc(N[C@@H](CC)c2ccsc2)cc1	382114281	LLKLOYSWPQTMIY-INIZCTEOSA-N	275.417	5.100	0	20	CKAD	
Cc1cscc1N[C@@H]1CCCc2c1[nH]c1ccccc21	395742399	VFSPLLOYGOKIIW-OAHLLOKOSA-N	282.412	5.027	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@H](CC(C)(C)C)c1ccccc1	538986932	JALOYZHRSBVYKF-QFBILLFUSA-N	296.458	5.218	0	20	CKAD	
CC/C(=C/C(=O)Nc1c(C)cc(C)cc1C)c1ccccc1	728796978	TZSVGZJKXDCYQD-LGMDPLHJSA-N	293.410	5.044	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1nc2ccccc2s1	20126275	DAKSLMCYHGEKKQ-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccc(F)cc1	21520343	RFAIGQZSPPOAGX-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](NCc1cccc(Cl)c1)c1cccc(Cl)c1	36921432	HAQUMVRRXGRGRQ-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
COc1ccc(NCc2cc(-c3ccccc3)cs2)cc1	38030729	CRIPLBHFULPTRV-UHFFFAOYSA-N	295.407	5.036	0	20	CKAD	
CCC[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1	43389426	WHKXAGCLDOZPND-QGZVFWFLSA-N	291.797	5.110	0	20	CKAD	
Cc1cc(C)cc(/C=C(/Cl)c2nc3ccccc3o2)c1	49372002	CWUQIMUCLVGNKX-GXDHUFHOSA-N	283.758	5.182	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1cccs1	127462166	JXLIDFFKHJOXEH-KOLCDFICSA-N	297.876	5.191	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1[C@H]2CCCC[C@H]12	467285541	HMHMENDYWTUURH-IRXDYDNUSA-N	299.458	5.308	0	20	CKAD	
Cc1cc(N[C@H](C)c2ncc(C(C)(C)C)o2)ccc1C1CC1	478418985	VXDWZHOKQAWAOC-CYBMUJFWSA-N	298.430	5.331	0	20	CKAD	
CCSc1ccccc1[C@H](C)N[C@H](C)c1ccccc1	479866115	MFTNBMPEJXEVKM-CABCVRRESA-N	285.456	5.210	0	20	CKAD	
CC(C)c1cccc(N[C@H](c2cccnc2)C2CCC2)c1	481989997	KFVMNJSNLJNYIY-IBGZPJMESA-N	280.415	5.158	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc3cnn(C(C)C)c3c2)s1	538632435	CSRPWNCGSPLFCK-ZDUSSCGKSA-N	299.443	5.160	0	20	CKAD	
Cc1nc(C(C)C)sc1[C@@H](C)Nc1ccc(F)c(F)c1	540746104	LKIPZBBVGAQIGT-SECBINFHSA-N	296.386	5.026	0	20	CKAD	
Cc1cccc(CS[C@H](C)c2ccc(Cl)cc2)n1	584864012	FKDTWRPMWUDSBP-GFCCVEGCSA-N	277.820	5.038	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H]2CCC[C@H](C)C2)c(Cl)c1	624062486	QPPMMHGQCVDALV-SMDDNHRTSA-N	293.838	5.112	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc(C3CCC3)c2)c(C)n1	643321893	JGIIZYKPSVNKNY-HNNXBMFYSA-N	280.415	5.139	0	20	CKAD	
Cc1nc(-c2ccc(N[C@H]3CCC34CCCC4)cc2)oc1C	682733903	IFFOACDMMVNVLI-KRWDZBQOSA-N	296.414	5.093	0	20	CKAD	
CC[C@H](SCc1ncc(C(C)C)o1)c1ccccc1	754249123	DCJDYJAIBYFVMA-HNNXBMFYSA-N	275.417	5.183	0	20	CKAD	
CCCCCS[C@H](C)c1nnc(-c2cccc(C)c2)o1	774659240	MDUDYMRPDSDNMD-CYBMUJFWSA-N	290.432	5.029	0	20	CKAD	
C[C@@H](SCCC(F)=C(F)F)c1cccs1	863307504	SSGRJKPEHQOILY-SSDOTTSWSA-N	252.326	5.010	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1nc2ccccc2s1	20126274	DAKSLMCYHGEKKQ-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1c(C(C)C)cccc1C(C)C	71940486	GKJKQEXCZNIPOJ-ZROIWOOFSA-N	273.420	5.228	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)cc1	98005613	RDWMYVJAEZWWQT-AUUYWEPGSA-N	297.467	5.055	0	20	CKAD	
CC(C)Sc1ccc([C@H](C)N[C@@H](C)c2ccoc2)cc1	178621239	QJWDOKHWAODYHQ-KBPBESRZSA-N	289.444	5.192	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](CC(F)F)c1ccccc1	421885331	USBUJPBINIMGRX-OCCSQVGLSA-N	295.398	5.104	0	20	CKAD	
CC[C@@H](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl	460030042	NZBNRQWWDRPUCU-SSDOTTSWSA-N	294.609	5.022	0	20	CKAD	
COc1ccsc1[C@@H](C)Nc1cccc2ccccc12	471601500	JKTYMPKVODLKSB-GFCCVEGCSA-N	283.396	5.083	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccco1	531708009	WUMGAMOQILCWLM-SCLBCKFNSA-N	287.378	5.001	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccoc1	675722949	SRRRMUQEUVEZIX-CVEARBPZSA-N	291.394	5.358	0	20	CKAD	
C[C@H](SCc1ccc(Cl)nc1)c1c(F)cccc1F	920391366	SOCHACNZPXLICS-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
O=C(Nc1ccc2ccccc2c1)c1sccc1C1CC1	46438416	KHFYCJODULOWTI-UHFFFAOYSA-N	293.391	5.031	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)CC/C=C/c1ccccc1	174425950	JCNFCAZXTBMGMR-VZUCSPMQSA-N	299.801	5.081	0	20	CKAD	
Cc1nc(-c2cccc(N[C@H](C)c3ccccc3)c2)oc1C	179614646	BDBOMKODYFOJKU-CQSZACIVSA-N	292.382	5.132	0	20	CKAD	
C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1ccccc1	303769159	MPQAFPWFWBJLRM-ZDUSSCGKSA-N	294.398	5.298	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccccc2C)C2CC2)c(C)o1	447534712	ZKEUXMJZMGDYHF-AUUYWEPGSA-N	283.415	5.007	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H]2CCc3c(C)cccc32)cc1	467453898	HTCDWRSPOWVCEU-AUUYWEPGSA-N	297.467	5.055	0	20	CKAD	
CCSc1cccc(CNc2cccc(C(F)F)c2)c1	472068386	OFRHNMWHIPJQLL-UHFFFAOYSA-N	293.382	5.348	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)cc1)c1ccc(F)cc1F	606466979	DXNZLLMTHAIRCX-SCLBCKFNSA-N	289.369	5.075	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	613874585	DFYVQVGIVCTOOM-NXHRZFHOSA-N	299.458	5.137	0	20	CKAD	
C[C@H](SCc1cccc(Cl)n1)c1ccc(Cl)cc1	743248600	JLXYZNGHXFZOFW-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CC/C(C)=C(/C)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1	779865739	OXEKXALLQBCDFG-SEWDUPMJSA-N	299.414	5.089	0	20	CKAD	
c1ccc(SC2CCCC2)c(NC2CCSCC2)c1	37123527	HPFBADXMPDDPBL-UHFFFAOYSA-N	293.501	5.029	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1cccs1	49529277	FBWRVPKCEAIRFL-SUMWQHHRSA-N	285.456	5.039	0	20	CKAD	
CC[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccccc1	129639601	JSOBKVTWUBQGIW-ZIAGYGMSSA-N	291.847	5.130	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)o1)c1ccc(Cl)s1	158180864	KPVUPODVDAJRJI-GHMZBOCLSA-N	283.824	5.105	0	20	CKAD	
Clc1ccc2sc(/C=C/C=C\c3ccncc3)nc2c1	447366440	KLXYHVKCSGOOCV-HSFFGMMNSA-N	298.798	5.071	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[C@H](C)CC	472673894	YVPULCVGDRHNJT-CABCVRRESA-N	289.463	5.383	0	20	CKAD	
Cc1ccc([C@@H]2CCCCN2C(=O)CC2CCCCC2)cc1	525023546	SECJRMFTJGXATL-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1cccc(F)c1	538549721	KJBGJYXALLSUCE-LLVKDONJSA-N	296.345	5.017	0	20	CKAD	
CC[C@@H](CC(=O)Nc1ccccc1-c1ccccc1)C(C)C	591110289	PLUHBEVHIBEIDW-INIZCTEOSA-N	295.426	5.364	0	20	CKAD	
C[C@H](C(=O)Nc1cccc(Nc2ccccc2)c1)C(C)(C)C	604331494	PKPFJNDRBZAVGE-CQSZACIVSA-N	296.414	5.051	0	20	CKAD	
Cc1cc(C)c(NC(=O)CCCC2CCCC2)c(Cl)c1	608554063	GDYBMIPEELBOBO-UHFFFAOYSA-N	293.838	5.256	0	20	CKAD	
CCc1nc(CSc2ccc3ccccc3c2)cs1	664718219	WKYUUILYMCFVIF-UHFFFAOYSA-N	285.437	5.151	0	20	CKAD	
CC(C)c1ccc(CN[C@H](C)c2cc3ccccc3[nH]2)cc1	775622573	XHGXDCXNDZIYFX-OAHLLOKOSA-N	292.426	5.142	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1cscc1Cl	798499817	BRPFDDXDDFKFPG-UHFFFAOYSA-N	294.851	5.224	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccccc1	5522998	PJYQUKBYKLCHKV-UHFFFAOYSA-N	295.426	5.115	0	20	CKAD	
CCCCCCC(=O)Nc1ccccc1-c1ccccc1	30826247	IWBYJGCFNMBJKX-UHFFFAOYSA-N	281.399	5.263	0	20	CKAD	
C[C@H](NCc1ccc(-c2ccccc2)s1)c1cccs1	34996398	VXNTXHKYGJLKDM-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@H]2CCSc3ccccc32)c1	37103415	WHDPOWSVBJLLBT-YJBOKZPZSA-N	297.467	5.191	0	20	CKAD	
Fc1ccccc1SCc1csc(C2CCCC2)n1	64022862	WILPMGAZFIXXIN-UHFFFAOYSA-N	293.432	5.232	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCc3cc(Cl)ccc32)s1	155873063	BGFSBKVDPGZQOE-ABAIWWIYSA-N	291.847	5.048	0	20	CKAD	
CC(=O)c1c(C)cc(C)c(CNc2ccc(C)cc2C)c1C	302816467	WEFMSCVJCPPQCA-UHFFFAOYSA-N	295.426	5.043	0	20	CKAD	
Cc1cccc(SCc2coc(-c3cccc(F)c3)n2)c1	302944784	BLZJGLKHOLFYSP-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cccc(Cl)c1)c1ccsc1	382059270	AKWGOEQUZUKLPJ-HZPDHXFCSA-N	293.863	5.594	0	20	CKAD	
CC[C@H](Nc1ccc(SC)cc1)c1ccsc1	382105829	NZTGFNAUQRGLTP-AWEZNQCLSA-N	263.431	5.033	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1ccccc1	414227225	VZBRGEGTKGBRAX-CRAIPNDOSA-N	290.410	5.037	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H]2CCCc3sccc32)c1C	468033891	PIQAIQOCINBVMC-PBHICJAKSA-N	285.456	5.093	0	20	CKAD	
Cc1ncc(CS[C@@H](C)c2ccc3ccccc3c2)s1	520992799	PNEROQYYYJHZLB-LBPRGKRZSA-N	299.464	5.599	0	20	CKAD	
Cc1c(Cl)cccc1N[C@@H](C)c1ccc(C(F)F)nc1	657958421	OOJFDCGDWNTGLR-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1F)c1ccc(F)c(Cl)c1	37764678	DPIAIQHPEQBVOE-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
Cc1cccc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c1C	96651214	QIAZSRRQISVFKE-GOSISDBHSA-N	295.426	5.072	0	20	CKAD	
Cc1ccc(NCc2ccc(C(F)F)cc2)cc1Cl	150050866	VZNIMBOQZRSQKF-UHFFFAOYSA-N	281.733	5.198	0	20	CKAD	
Clc1ccc([C@@H](NCc2cccs2)C2CCC2)cc1	237788795	YNWUFLXWVMUXDE-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1C	303089260	CNTJIDDQNSJJLV-LBPRGKRZSA-N	293.476	5.260	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](c1ccccc1)C1CC1	442642145	DPFYDJJIKGFDCA-LIRRHRJNSA-N	297.467	5.210	0	20	CKAD	
CC[C@H](S[C@@H](C)c1cccnc1)c1ccccc1	531810945	ASDRBZFCMYUEIH-BBRMVZONSA-N	257.402	5.027	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1ncc(C)o1)c1ccc(F)cc1	537749205	YLWZCQOOFFVTGK-SMDDNHRTSA-N	279.380	5.068	0	20	CKAD	
Cc1ccc2oc(CN[C@@H](C)c3ccccc3Cl)cc2c1	583291859	JAKHZJFJDHVFES-ZDUSSCGKSA-N	299.801	5.245	0	20	CKAD	
CC(C)c1ccc(C(C)(C)NCc2ccc(Cl)o2)cc1	591725058	MVXKMJUTZMDXCS-UHFFFAOYSA-N	291.822	5.081	0	20	CKAD	
Cc1ccc(F)c(/C=C(/Cl)c2nc3ccccc3o2)c1	734981040	MJJRIIAUWLQANL-FMIVXFBMSA-N	287.721	5.012	0	20	CKAD	
CCCCC(=O)Nc1ccccc1SCc1ccccc1	921197204	FQZVRHSDPGOWHG-UHFFFAOYSA-N	299.439	5.108	0	20	CKAD	
C[C@@H](Nc1nc2ccccc2s1)c1cc2ccccc2o1	26759534	LALVBTLEIUFTRA-LLVKDONJSA-N	294.379	5.216	0	20	CKAD	
Cc1ccc2cc(/C=C/c3ccccc3)sc2c1	98178543	CDQWIRNJBDXBAY-CSKARUKUSA-N	250.366	5.380	0	20	CKAD	
CC[C@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1cccs1	481424179	OUBCXHBJESEWNU-INIZCTEOSA-N	298.455	5.087	0	20	CKAD	
CCCC[C@@H](NCc1ccc(C)cc1)c1ccc(OC)cc1	488493556	MRWNLQOTQHTYQS-HXUWFJFHSA-N	297.442	5.025	0	20	CKAD	
CCSc1ccccc1C(=O)Nc1cccc(C(C)C)c1	514517110	JMWGBKXHIIITQP-UHFFFAOYSA-N	299.439	5.174	0	20	CKAD	
C[C@H](SCc1ccc2ccccc2n1)c1cccc(F)c1	522971942	IHIXNRJSDFUISX-ZDUSSCGKSA-N	297.398	5.368	0	20	CKAD	
CC[C@H](N[C@@H]1CCc2ccccc21)c1ccc(Cl)s1	531711583	OUUOJBJGPOQMGL-UONOGXRCSA-N	291.847	5.130	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2cc3ccccc3s2)s1	556219596	BDNNITOFMGDNNI-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
CCOc1ccccc1-c1nc(-c2ccc(F)cc2)cs1	587923146	QZDJEAGAYFYUDR-UHFFFAOYSA-N	299.370	5.015	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(C)c1C)c1ccc(F)cc1	606467802	HZXZZTMBAZULIR-BEFAXECRSA-N	285.406	5.244	0	20	CKAD	
Cc1cc(C)c(NC(=O)C2CCCCCCC2)c(Cl)c1	741515862	PYHIUYIXHHALIU-UHFFFAOYSA-N	293.838	5.256	0	20	CKAD	
C[C@H](Sc1ncncc1-c1ccccc1)c1cccs1	774682136	SSNZBGPHCRYGDY-LBPRGKRZSA-N	298.436	5.058	0	20	CKAD	
CCc1c([C@H](C)N[C@H](C)c2cccs2)oc2ccccc12	22152084	IFMXOSGNJACVCM-OLZOCXBDSA-N	299.439	5.469	0	20	CKAD	
CC(C)CN(C)C(=O)Nc1c(C(C)C)cccc1C(C)C	62369663	RFAUMSGVVWTYOD-UHFFFAOYSA-N	290.451	5.053	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc3ccccc3c2)cc1	314586991	QFSQNACMXDELCU-DLBZAZTESA-N	289.422	5.560	0	20	CKAD	
COCc1ccc(N[C@@H](C)c2cc3ccccc3s2)cc1	384972678	HQZOJGOBDQKSRY-ZDUSSCGKSA-N	297.423	5.221	0	20	CKAD	
Cc1ccc(-c2nc(C3CCC(F)(F)CC3)cs2)o1	430840723	YNDQDOYCAABWPI-UHFFFAOYSA-N	283.343	5.004	0	20	CKAD	
Cc1cccc(SCc2csc(C(C)(C)C)n2)c1	519116831	FTFRBQKYSWYOLY-UHFFFAOYSA-N	277.458	5.041	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2ccc(CC)s2)cc1	537451302	XWQYRYQNKYZCKH-CYBMUJFWSA-N	289.444	5.020	0	20	CKAD	
Cc1cccc([C@@H](C)SCc2ccc(Cl)nc2)c1	742971249	OVOXKWHXTRZLGR-GFCCVEGCSA-N	277.820	5.038	0	20	CKAD	
FC(F)Sc1ccc(NCc2ccccc2Cl)cc1	35038247	GJTQICFVVKQMNB-UHFFFAOYSA-N	299.773	5.267	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1cccnc1)c1ccccc1	37228981	VRNXXLMMLGOSOP-LPHOPBHVSA-N	282.431	5.054	0	20	CKAD	
CC[C@@H](C)NC(=S)Nc1c(C(C)C)cccc1C(C)C	44050915	FKBKZIPCHIDLRI-CYBMUJFWSA-N	292.492	5.018	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccsc1	382093565	HTSYTNXTPCKYHV-XHDPSFHLSA-N	279.836	5.203	0	20	CKAD	
CC[C@H](Nc1ccc(Br)cc1)c1ccsc1	382115842	LRSMROFHCSLLOP-ZDUSSCGKSA-N	296.233	5.074	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1C)C1CC1)c1cccs1	482952682	UPYSEOVIRJBNOD-SJLPKXTDSA-N	285.456	5.249	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccc3ncsc3c2)c1	485806892	RGDJCBUEDXBLSH-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CCC[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccsc1	525954940	PQEJGVUNVNNFEF-RCBQFDQVSA-N	289.444	5.096	0	20	CKAD	
C/C=C\c1ccc(N[C@H](CCC)c2ccccn2)cc1	562060367	XFOMYBLEDBTZHC-BKSIFSGMSA-N	266.388	5.068	0	20	CKAD	
CC[C@H](C)CCC(=O)Nc1cc(C(F)F)ccc1Cl	576537115	ODCFQGYYCAXWRX-VIFPVBQESA-N	289.753	5.042	0	20	CKAD	
CC(C)CCc1ccccc1NCc1nc2ccccc2o1	621553446	KRFDIGMNPGNUMQ-UHFFFAOYSA-N	294.398	5.029	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](CC2CC2)c2ccccc2)o1	679046558	MSRCVHTVYSHDTO-KSSFIOAISA-N	283.415	5.034	0	20	CKAD	
Cc1nc([C@H](C)Nc2csc3ccccc23)c(C)s1	679362328	JYOFLKFDMZIKDM-VIFPVBQESA-N	288.441	5.148	0	20	CKAD	
Cc1cc(N[C@@H](C)c2cccc(F)c2)ccc1OC(C)C	743480669	VELJQPCMFJNJMU-AWEZNQCLSA-N	287.378	5.094	0	20	CKAD	
CC(C)c1nc([C@@H](C)Nc2ccc3ccccc3c2)cs1	769415821	XGWHVSLBGYTLLL-CYBMUJFWSA-N	296.439	5.593	0	20	CKAD	
C[C@@H](NCc1ccc(Cl)cc1)c1cccc2ccccc12	20020900	BXZUYLJHHJGFIO-CQSZACIVSA-N	295.813	5.344	0	20	CKAD	
CC(C)c1ccc(NC(=O)C[C@@H]2C=CCC2)c(C(C)C)c1	27137209	ROLCOWVFVDCNPE-OAHLLOKOSA-N	285.431	5.228	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1)c1cc2ccccc2s1	121983647	MBSPOSOYIVYQNS-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
CC[C@H](N[C@@H](C)c1nccc2ccccc12)c1ccccc1	289533493	BIAPGBUFWMANSH-KXBFYZLASA-N	290.410	5.037	0	20	CKAD	
Cc1c(CSC(C)C)cccc1NCCC(F)(F)F	462171314	NVHWPFPSWAPEFV-UHFFFAOYSA-N	291.382	5.001	0	20	CKAD	
C[C@@H](SCc1cccnc1)c1ccc(Cl)c(Cl)c1	463187963	AAEXYLBYLTVHJC-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CC[C@H](S[C@@H](C)c1nc(C(C)C)no1)c1ccccc1	466980963	LYWKDNHEDSAQBV-JSGCOSHPSA-N	290.432	5.139	0	20	CKAD	
Cc1cccc([C@@H](N[C@@H](C)c2ccco2)C(C)(C)C)c1	484288779	DVWLSVOFWDOHRW-WMLDXEAASA-N	271.404	5.026	0	20	CKAD	
CC(C)C[C@@H](N[C@H](C)c1ccsc1)c1cccs1	540187811	FWVPWGCBKQTWPQ-TZMCWYRMSA-N	279.474	5.248	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)C[C@H](C)CC(C)(C)C	612927437	VOBLHORVUGZNIV-AWEZNQCLSA-N	289.463	5.212	0	20	CKAD	
C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1F	20565135	AFKHHZFKHSFKFP-JTQLQIEISA-N	283.268	5.018	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCc3sc(Cl)cc32)s1	129609882	ZFKWDTPEQLADQK-MWLCHTKSSA-N	297.876	5.110	0	20	CKAD	
C[C@H](Nc1cccc2ccncc12)c1ccc(Cl)s1	131080463	SMPQSJWETFJWKD-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2Cl)o1	221783320	TWDQAUQPLHZTHW-WDEREUQCSA-N	298.213	5.307	0	20	CKAD	
CC(C)c1cccc(N(C)C(=O)c2sccc2C2CC2)c1	520063390	LNCWDUUBIZPMJJ-UHFFFAOYSA-N	299.439	5.026	0	20	CKAD	
CC(C)c1ccccc1NC(=O)N[C@@H](C)CCC(C)(C)C	523007004	XLXTXUJJDQESOS-AWEZNQCLSA-N	290.451	5.146	0	20	CKAD	
C[C@H](Sc1ccc(Cl)c(Cl)c1)c1ccncc1	608102255	MATYYRFVSRQQIM-VIFPVBQESA-N	284.211	5.242	0	20	CKAD	
FC(F)(F)Cc1ccccc1CNc1cccc(Cl)c1	630062542	MSHGETPBDULGAC-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
CCC/C=C/C(=O)Nc1c(C(C)C)cccc1C(C)C	729330744	PVMSKUJCHHKNEQ-XYOKQWHBSA-N	273.420	5.228	0	20	CKAD	
CC[C@@H](SCc1ncc(C(C)C)o1)c1ccccc1	754249124	DCJDYJAIBYFVMA-OAHLLOKOSA-N	275.417	5.183	0	20	CKAD	
Cl/C(=C\c1ccsc1Cl)c1nc2ccccc2o1	790214265	IHXRRRQUOJBMCW-CLFYSBASSA-N	296.178	5.280	0	20	CKAD	
Cc1ccc(-c2ccc(CNCc3ccsc3)s2)cc1	63520647	MEANPIKQBYJGKW-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)C)cc1)c1ccsc1	382141796	QUCYITGHBVNMRE-KRWDZBQOSA-N	273.445	5.112	0	20	CKAD	
CC[C@@H](C)C[C@H](C)NC(=O)Nc1c(C)cccc1C(C)C	466165923	IPBOWENRZMELPL-HIFRSBDPSA-N	290.451	5.065	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@H](C)c2cc(C)sc2C)c1C	477946212	QFCWVLOGGBTWIU-CMPLNLGQSA-N	291.464	5.014	0	20	CKAD	
Cc1ccccc1[C@@H](C)Nc1ccc(COC(C)C)cc1	538528725	XWCWYCAJKUWVIU-MRXNPFEDSA-N	283.415	5.093	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1ccc2c(c1)COC2	540831106	CKLJJAJFOYHXCT-GFCCVEGCSA-N	295.407	5.105	0	20	CKAD	
C[C@H](SC1CCCC1)c1nc2ccccc2n1C(F)F	590614293	FUTDRBRVGYJFPX-JTQLQIEISA-N	296.386	5.168	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cscn1)c1cc(C)sc1C	624011840	JVCUQXCPAKISNV-BXUZGUMPSA-N	294.489	5.013	0	20	CKAD	
CCc1nc2c(s1)[C@@H](Nc1ccc(C3CC3)cc1)CCC2	679090484	UFFNTCBFLTVUBK-HNNXBMFYSA-N	298.455	5.072	0	20	CKAD	
Cc1ccc([C@H](C)Nc2csc3ccccc23)c(C)n1	679370279	POCAKIPTMWVNQY-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
C[C@@H](NCc1ccoc1)c1ccccc1SC(C)(C)C	788564083	SDSWYIWSYHLDJN-CYBMUJFWSA-N	289.444	5.021	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)s1	20562807	UWMNSDCYRSHWJT-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
c1csc([C@@H](NCc2cccc3ccccc23)C2CC2)c1	49956681	RXXHODMUOOTFPO-IBGZPJMESA-N	293.435	5.142	0	20	CKAD	
Cc1ccc(NCc2csc(C(C)(C)C)n2)cc1Cl	132965944	UJQRIIDMYNSQER-UHFFFAOYSA-N	294.851	5.015	0	20	CKAD	
CC(C)Oc1ccc(N[C@@H](C)CCCC(F)(F)F)cc1	163243746	NOECKSPXJVBWEL-LBPRGKRZSA-N	289.341	5.007	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1cccnc1Cl	182696770	BITIZRDXPURMSG-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)CCc2ccccc2)s1	437288237	JEMUKKOYCVQWGC-GFCCVEGCSA-N	291.485	5.014	0	20	CKAD	
CC(F)(F)c1cccc(NCc2cccc(C(F)F)c2)c1	480161409	ISYSYKVEKFODLM-UHFFFAOYSA-N	297.295	5.348	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2ccc3ccccc3n2)c1C	538506674	PHYWITOPVMTCJI-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
C[C@@H](S[C@H](C)c1cccc2ccccc12)c1cnccn1	545942429	KNCJGSLVVUMIRO-ZIAGYGMSSA-N	294.423	5.185	0	20	CKAD	
CC(C)(CC(=O)Nc1ccccc1-c1cccs1)C1CC1	555190752	RHBGANOBYORQHD-UHFFFAOYSA-N	299.439	5.180	0	20	CKAD	
CC[C@H](SCc1cc(C)no1)c1ccc(Cl)cc1	608858843	VNLROIIRLFSPIZ-AWEZNQCLSA-N	281.808	5.021	0	20	CKAD	
Cc1ccc(Cl)c(N[C@H](C)c2ccc(C(F)F)nc2)c1	657964788	OLRAZVKAPXHCSC-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1ccccc1F	732919047	XXASHGVDYSTSGH-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
C/C(=C/C(=O)Nc1c(C)cccc1C(C)C)C(C)(C)C	744349445	HLFHANBXBNFYGI-KAMYIIQDSA-N	273.420	5.049	0	20	CKAD	
COc1ccccc1[C@H](C)Nc1cccc2ccccc12	19900830	XNUMMKZJLLMUJN-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
C[C@@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccsc1	484297751	VDLGGYAOLKEONR-WBMJQRKESA-N	291.435	5.325	0	20	CKAD	
CCCCCN(C(=O)Nc1c(C)cc(C)cc1C)C(C)C	508148835	IKZXQHUPQNJVOJ-UHFFFAOYSA-N	290.451	5.044	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CCCC[C@H]1C	518876618	OVQFOKJNDPVMLX-GDBMZVCRSA-N	287.447	5.273	0	20	CKAD	
CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1	538115257	OVHQMKTWQQLDBA-HZPDHXFCSA-N	296.458	5.179	0	20	CKAD	
C[C@@H](CN[C@H](C)c1cc2ccccc2o1)Cc1cccs1	540699732	CUCXNLOOHDUNHF-ZIAGYGMSSA-N	299.439	5.024	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H]2CCc3c(Cl)cccc32)o1	552302774	IEAOJUMLBRKIFP-QMTHXVAHSA-N	293.819	5.118	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@H](C)c2ccncc2F)cc1	559900697	RPZNXGRCXFUGGK-CYBMUJFWSA-N	286.394	5.081	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCC2	675302843	KXKNPOWSPUTJNL-INIZCTEOSA-N	285.431	5.062	0	20	CKAD	
CC(C)(C)OCc1ccc(N[C@@H]2CCc3ccccc32)cc1	679063578	NTRLLWYYLDVHNW-LJQANCHMSA-N	295.426	5.101	0	20	CKAD	
CC[C@@H](SCc1cccc(Cl)n1)c1ccc(F)cc1	743248980	ZLGWUUIWLHZCOU-CQSZACIVSA-N	295.810	5.259	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1F)c1cccc(Cl)c1	20559755	FCWZCRJWDJNFAI-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccc(F)cc1	37075374	KXENGQWDSCXYGH-RTBURBONSA-N	283.390	5.018	0	20	CKAD	
CC(C)c1ccsc1C(=O)Nc1ccccc1C(F)F	425645315	LPLBNMUHRBSSIS-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H]1CCc2ccc(C)cc21	442864508	RRYOUTDKSXFCRR-KSSFIOAISA-N	297.467	5.055	0	20	CKAD	
CC[C@H](N[C@@H]1C[C@@H](C(C)C)c2ccccc21)c1ccncc1	447542775	POKJDPBNINRGNJ-SLFFLAALSA-N	294.442	5.007	0	20	CKAD	
Cc1ccc(C)c(N[C@@H](C)c2csc(C(C)C)n2)c1	469766990	DUTIXPIHUPDHMP-ZDUSSCGKSA-N	274.433	5.056	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1	475000247	FUWJYBOABFFARP-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](CC)c2ccc(Cl)s2)o1	483137679	VCJBQBWDWKCPEQ-JQWIXIFHSA-N	297.851	5.359	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@H](C)c2cscn2)cc1	515336909	ZKANMHJTHWQYBK-GFCCVEGCSA-N	274.433	5.004	0	20	CKAD	
Cc1cc(C)c(NC(=O)CC/C=C\c2ccccc2)c(C)c1	531122768	ONYOCIQJFCUPBE-XFFZJAGNSA-N	293.410	5.044	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2cccc(-c3ccncc3)c2)cc1	539609284	RBIRYDVDTRDGHU-INIZCTEOSA-N	288.394	5.230	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)s1	679046478	IVHPJSTYNGRRFX-PBHICJAKSA-N	285.456	5.249	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1c(C)cccc1CC	741882925	POMUIRMSNSTIMI-HNNXBMFYSA-N	275.436	5.102	0	20	CKAD	
CCc1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)cc1	19231514	RLPUWJNTUWBXOM-GFCCVEGCSA-N	291.341	5.024	0	20	CKAD	
C[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(Cl)cc1	131299394	VIBZPCNKHYONIA-LLVKDONJSA-N	295.760	5.128	0	20	CKAD	
C(=C\c1ccccc1)\C=C\c1nc2ccccc2s1	141516551	NOQJWWXFGZZLQT-ZIDUXJNWSA-N	263.365	5.023	0	20	CKAD	
C[C@@H](SCc1coc(-c2ccccc2)n1)c1ccccc1	303004573	ZEVJBIJXCMUERN-CQSZACIVSA-N	295.407	5.336	0	20	CKAD	
Cc1c([C@H](C)Nc2cccc(C3CCC3)c2)cnn1C(C)C	462950376	QUXZWZBBUFSHOU-AWEZNQCLSA-N	297.446	5.213	0	20	CKAD	
Clc1ccc(NCc2cccc(-c3ccncc3)c2)cc1	507440615	JSTUXJXNGYUVOL-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccccc1F	525244273	ZQVYBEQAIQAJID-NSHDSACASA-N	297.295	5.104	0	20	CKAD	
CSCc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1	537531845	XHPQITVTJJLUIM-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2ccsc2)cc1F	669850806	KQXYOBVHGLKLQV-QWRGUYRKSA-N	295.448	5.021	0	20	CKAD	
CCCCCCC(=O)N1CCCC[C@H]1c1ccc(C)cc1	741591531	ATSDZCIMGNSLGH-SFHVURJKSA-N	287.447	5.019	0	20	CKAD	
CCCCCCSCc1csc([C@H](C)OCC)n1	767864715	CYXWFWROLQPHJH-LBPRGKRZSA-N	287.494	5.054	0	20	CKAD	
CC[C@H](N[C@@H](c1cccs1)C1CC1)c1cccs1	42331745	QTEGMQXVZBTLPR-SWLSCSKDSA-N	277.458	5.002	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(Cl)c2Cl)o1	221783426	TWDQAUQPLHZTHW-GHMZBOCLSA-N	298.213	5.307	0	20	CKAD	
CCC[C@H](Nc1cscc1C)c1ccsc1	310030906	RCCDHEYWMYRSHT-LBPRGKRZSA-N	251.420	5.071	0	20	CKAD	
CC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccsc1	382164173	VBUWCBWEPFSENF-CQSZACIVSA-N	299.361	5.008	0	20	CKAD	
C[C@@H](CCC1CC1)NC(c1cccs1)c1cccs1	398067164	JXYBTPCOHASHMZ-LBPRGKRZSA-N	291.485	5.067	0	20	CKAD	
Cc1cccc([C@@H](C)SCc2ncc(C(C)(C)C)o2)c1	437462025	SPUTUKRJVILQDN-CYBMUJFWSA-N	289.444	5.275	0	20	CKAD	
CC[C@H](N[C@@H](c1cccs1)C1CC1)c1ccsc1	453074197	OJCVWYVARGBSIJ-DZGCQCFKSA-N	277.458	5.002	0	20	CKAD	
Clc1csc(CN[C@@H](c2ccccc2)C2CCC2)c1	487273234	DRIJEQCOKQCYJK-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
CC[C@H](N[C@H](c1cccs1)C1CC1)c1ccccc1F	491261948	WLWWKWCLXLJGKQ-RDJZCZTQSA-N	289.419	5.079	0	20	CKAD	
CCC[C@H](NCc1ccco1)c1ccc(Cl)c(Cl)c1	500898422	UERLYZSVUNZQPR-HNNXBMFYSA-N	298.213	5.217	0	20	CKAD	
C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1cccc(F)c1	525757227	SBUVIMWXRNAENA-NSHDSACASA-N	297.295	5.104	0	20	CKAD	
Cc1ccccc1[C@@H](C)Nc1cccc(COC(C)C)c1	532441092	ITZUEJGKYNTUAC-MRXNPFEDSA-N	283.415	5.093	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H](C)c2cccc(Cl)c2)o1	538849431	CJSKVPRADUWECC-QWRGUYRKSA-N	281.808	5.192	0	20	CKAD	
C[C@H](Nc1ccccc1OC(C)(C)C)c1ccccc1F	630058050	XEDYJWAFEKMNOO-ZDUSSCGKSA-N	287.378	5.176	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccsc1	669851246	YTFBCOIRETWTGW-BZNIZROVSA-N	291.847	5.130	0	20	CKAD	
Cc1cc(CNc2ccc(C3CC3)cc2)cc2cccnc12	680132984	BSNIPNSPAKQRCE-UHFFFAOYSA-N	288.394	5.033	0	20	CKAD	
Cc1ccc(F)c(CN[C@H](C)c2csc3ccccc23)c1	735084353	KCBJDVKRPGYWLN-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@@H](C)c3ccc(C)s3)oc2c1	756029415	BBOITWFKKRNDNL-KGLIPLIRSA-N	299.439	5.523	0	20	CKAD	
Cc1cnc(CNc2ccc(-c3ccccc3)c(C)c2)s1	762534779	VAMZQIURGVQZLP-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CCc1cc(C)cc(CC)c1NC(=O)/C=C(\C)C(C)(C)C	797361790	WXMGSRSXDWRGLX-WYMLVPIESA-N	287.447	5.051	0	20	CKAD	
Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1Cl	6033852	DRHUFUCIVYBQJX-UHFFFAOYSA-N	287.790	5.024	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)s1	21817539	QQUQVCTUJNIIFI-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
O=C(Nc1cccc2ccccc12)c1sccc1C1CC1	72590410	LGZBSXDWQMPULJ-UHFFFAOYSA-N	293.391	5.031	0	20	CKAD	
O=C(Nc1cccc(C2CCC2)c1)c1sccc1C1CC1	462720643	QJNZEFKFUJWEMG-UHFFFAOYSA-N	297.423	5.145	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccsc1)c1ccc(F)cc1F	484508371	OVYUGBGSSBYSHM-MEDUHNTESA-N	295.398	5.218	0	20	CKAD	
CSCc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1	538636222	NDAJGLZKQMGYMB-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1ccc2ccccc2c1	19878301	UITFXGRFVBIWDR-CVEARBPZSA-N	275.395	5.252	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(C)sc1C)CC2	126486037	MMUPKYYIVHVWAD-UGSOOPFHSA-N	285.456	5.011	0	20	CKAD	
Cc1ccsc1[C@H](C)NC1(c2cccc(Cl)c2)CC1	538554420	UHYNFKIWBMOMKF-LBPRGKRZSA-N	291.847	5.050	0	20	CKAD	
CCC[C@H](Nc1cccc(C(F)(F)F)c1)c1cccnc1	542697656	VKQHHOACOAKVBI-HNNXBMFYSA-N	294.320	5.054	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1cc2ccncc2s1	631736439	KTNHVJNAUOAHMB-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Clc1ccc2c(-c3cccc4ccncc34)ccnc2c1	793368430	YQNRMQHCACCRET-UHFFFAOYSA-N	290.753	5.103	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1	37070897	ORODHAIXWDVRNO-CABCVRRESA-N	279.383	5.153	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCSc3ccccc32)cc1C	37128055	XHDFBBHIEQGUBY-CRAIPNDOSA-N	297.467	5.191	0	20	CKAD	
CC[C@@H](NCc1ccc2ccccc2c1)c1cccs1	48416947	KWNVEYKFMLBLRF-QGZVFWFLSA-N	281.424	5.142	0	20	CKAD	
CC[C@H](Nc1cccc([C@H](C)OC)c1)c1cccs1	183093788	GNODZGOLYWGYJV-WFASDCNBSA-N	275.417	5.019	0	20	CKAD	
FC(F)c1ccc(CNc2cccc(C(F)F)c2)cc1	185619898	XFGKTAVRLWPSKO-UHFFFAOYSA-N	283.268	5.174	0	20	CKAD	
Cc1ccc(F)c(CN[C@H](c2ccccc2)C(C)(C)C)c1	227283512	WLCCMNWFJBGWFW-GOSISDBHSA-N	285.406	5.011	0	20	CKAD	
CCC(C)(C)CC(=O)Nc1ccccc1-c1cccs1	465022816	HIJPWQACRJYQTA-UHFFFAOYSA-N	287.428	5.180	0	20	CKAD	
C[C@@H](c1cccc(Cl)c1)[S@@](=O)C1CCC(C)(C)CC1	469462459	ITRGBMKZKXYDHL-HXPMCKFVSA-N	298.879	5.119	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H](C)c2cccc(Cl)c2F)o1	478668011	BTWLKYIOWVSIRE-UWVGGRQHSA-N	299.798	5.331	0	20	CKAD	
CCSc1ccccc1[C@H](C)N[C@@H](C)c1ccsc1	669851041	SQGKUFUIHFKUBX-STQMWFEESA-N	291.485	5.272	0	20	CKAD	
CC[C@H](N[C@@H](C)c1csc2ccccc12)c1ccccc1	732918631	QLXPVFZOPUDKCF-KSSFIOAISA-N	295.451	5.703	0	20	CKAD	
CC(C)CCc1ccccc1NC(=S)Nc1ccccc1	746346483	KAODFVZNBQIECB-UHFFFAOYSA-N	298.455	5.084	0	20	CKAD	
C/C=C(\CC)C(=O)N(Cc1cccs1)C(C)(C)CCC	801752115	NENYFPLRAPLVBE-VGOFMYFVSA-N	293.476	5.012	0	20	CKAD	
C/C(=C\C(=O)Nc1ccc(C(C)C)cc1C(C)C)C1CC1	917665981	ZDOSCWSRNNJROF-GXDHUFHOSA-N	285.431	5.228	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc3ccccc23)o1	20553529	DNHLHLQJWPXGMI-HUUCEWRRSA-N	279.383	5.153	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccsc1	50341587	YADRSWMXOKXKHR-CZUORRHYSA-N	273.445	5.186	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2csc(Cl)c2)cc1	230408162	UCBMUSNSDFPIMM-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1ccc(C)cc1	442716058	NVDVBYZFJXQRQM-CABCVRRESA-N	285.456	5.129	0	20	CKAD	
CCC[C@@H]1C[C@H]1C(=O)Nc1c(C(C)C)cccc1C(C)C	463072014	UXUNHIYHTPTAFZ-RHSMWYFYSA-N	287.447	5.308	0	20	CKAD	
CCC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)C(C)C	484762617	XGQMJXYHEPQXTR-MRXNPFEDSA-N	275.436	5.129	0	20	CKAD	
Cc1cccc([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)c1	537535610	GOUDFOQBINIXJG-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H]1CCc2c(Cl)cccc21	539044392	PZYJNKUTTVGVGH-IAQYHMDHSA-N	291.847	5.048	0	20	CKAD	
F[C@H](CC1CCCCC1)c1nc([C@H]2CCCCS2)no1	561905287	GFTXCMSAZDDGLB-CHWSQXEVSA-N	298.427	5.009	0	20	CKAD	
CC(C)(C)CCCCC(=O)N1[C@H]2CC[C@H]1c1ccccc12	579215454	LBBQKJRXLJPOEQ-IRXDYDNUSA-N	285.431	5.011	0	20	CKAD	
CC(C)(C)/C=C/C(=O)Nc1ccc(-c2ccccc2)cc1F	733917696	RWFZMLUOPWWIFA-VAWYXSNFSA-N	297.373	5.034	0	20	CKAD	
Cc1ccsc1CNCc1ccc(-c2ccccc2)cc1	85274721	XOMLFRSVBXAQFA-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CCC[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1	131338016	XKNGDXLSRNYRRK-QGZVFWFLSA-N	289.369	5.255	0	20	CKAD	
Cc1ccc(C)c(CNc2ccccc2CC(F)(F)F)c1	462180792	IIVPBLWGRJUJOT-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CC(C)SCc1csc(Cc2ccc(Cl)cc2)n1	498565526	ZPRPKLHXJJNHNJ-UHFFFAOYSA-N	297.876	5.029	0	20	CKAD	
COc1ccccc1/C=C/C=C\c1nc2ccccc2s1	507930337	XKBCWRODEUFMDU-APDHGXCDSA-N	293.391	5.032	0	20	CKAD	
Cc1occc1CN[C@@H](C)c1ccc(-c2ccccc2)s1	680461404	ZWXUYWFJWYWPFO-ZDUSSCGKSA-N	297.423	5.167	0	20	CKAD	
FC(F)(F)c1cscc1CNc1ccc2ccoc2c1	685621338	VMTMLHNJWIKARB-UHFFFAOYSA-N	297.301	5.125	0	20	CKAD	
c1ccc2c(CNc3ccc4occc4c3)cccc2c1	864018108	RVBXXMUEJXWJFH-UHFFFAOYSA-N	273.335	5.198	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1cccs1)c1ccc(F)cc1	61116902	CQVXTSPKAUCRNQ-MRXNPFEDSA-N	291.435	5.154	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2ccccc2s1)c1ccsc1	121985367	JUDQZLSZAXNFEE-VXGBXAGGSA-N	287.453	5.375	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(F)F	413209086	UGPACKINBVYZQA-LBPRGKRZSA-N	297.389	5.163	0	20	CKAD	
CC[C@@]1(C)C[C@H]1C(=O)Nc1c(C(C)C)cccc1C(C)C	466413113	CBBHAZFXILCJTP-LPHOPBHVSA-N	287.447	5.308	0	20	CKAD	
Cc1cnc([C@@H](C)SC/C=C/c2ccc(Cl)cc2)o1	468653682	XGRIKPWVTHQWJN-AAOUONPWSA-N	293.819	5.144	0	20	CKAD	
CC[C@@H](NCc1csc2ccccc12)c1ccc(F)cc1	523388539	PQBOZMNEDRNYEB-QGZVFWFLSA-N	299.414	5.281	0	20	CKAD	
CC[C@H](S[C@H](C)c1ncc(C)o1)c1ccc(F)cc1	537749203	YLWZCQOOFFVTGK-RISCZKNCSA-N	279.380	5.068	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@@H](C)c3ccsc3)oc2c1	669851093	UVBNXWSEYXGHGB-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccncc1)c1cccc2ccccc12	886790630	ILHAQALNRUPGFF-QRWLVFNGSA-N	290.410	5.037	0	20	CKAD	
Cc1ccc(-c2nc(C3CCCCCC3)no2)c(C(C)C)n1	904688044	MZWFFGXEMFTTLW-UHFFFAOYSA-N	299.418	5.001	0	20	CKAD	
Cc1ccc(C)c(NC(=O)c2ccc(SC(C)C)cc2)c1	7598085	UBUAOQTXJJATDS-UHFFFAOYSA-N	299.439	5.056	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccccc2F)cc1	21800895	NQDBLQJTNPBMBI-ZDUSSCGKSA-N	257.352	5.122	0	20	CKAD	
Cc1c([C@H](C)N[C@H](C)c2ccccc2)oc2ccccc12	37185719	WECHKIGRPHZCPR-CABCVRRESA-N	279.383	5.153	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2sccc2C)c(C)s1	70091288	MJEOCMMMNPZNLN-VXGBXAGGSA-N	279.474	5.147	0	20	CKAD	
CCCC[C@@H](CC)Cn1c2ccsc2c2sccc21	204189081	AHYHFQFKENFADZ-GFCCVEGCSA-N	291.485	6.134	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](CC(F)F)c1ccccc1	421884250	UGSABPSKALIVTJ-RHSMWYFYSA-N	289.369	5.042	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H]1CCC[C@@H]1c1ccccc1	480252786	FIMSYOJSFRIDNA-BMFZPTHFSA-N	299.380	5.033	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](CC2CCC2)c2ccccc2)o1	495422246	ZFPAFICDARTXJH-QAPCUYQASA-N	283.415	5.170	0	20	CKAD	
CCC(CC)S[C@H](C)C(=O)Nc1ccccc1C(C)C	521344973	MWXQCZOOQIADOZ-CYBMUJFWSA-N	293.476	5.059	0	20	CKAD	
C[C@H](SCc1cnoc1C1CC1)c1ccc(Cl)cc1	538011595	VNVGPCRXKZXQGN-JTQLQIEISA-N	293.819	5.200	0	20	CKAD	
Cc1noc([C@@H](C)S[C@H](C)c2cccc3ccccc23)n1	604436082	KQKDVGVLNTXVDS-VXGBXAGGSA-N	298.411	5.087	0	20	CKAD	
Cc1ccoc1CC(=O)Nc1c(C(C)C)cccc1C(C)C	666921145	NLVFOUUPHUSFMP-UHFFFAOYSA-N	299.414	5.016	0	20	CKAD	
Clc1ncccc1/C=C/c1nc(-c2ccccc2)cs1	728696043	LFVLOQXOUVEIDT-CMDGGOBGSA-N	298.798	5.029	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1cccc(F)c1	219867614	PPOXPUOVIDEQPT-HUUCEWRRSA-N	293.385	5.391	0	20	CKAD	
C[C@H](Nc1ccc2ncsc2c1)c1ccc(Cl)cc1	226367326	HLHAMDLAGBZKOJ-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2csc(Cl)c2)s1	230408486	IAWIVSQELZSHCB-UWVGGRQHSA-N	285.865	5.183	0	20	CKAD	
CC[C@H](Sc1cccs1)c1ccc(F)cc1	303765622	IKJODDGGQQPGMA-LBPRGKRZSA-N	252.379	5.131	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)C2(C)CCC2)c(C)c1	427661616	DKGMPSCIPLUNLG-ZDUSSCGKSA-N	291.460	5.014	0	20	CKAD	
CCC[C@@H](N[C@@H]1CCCc2sccc21)c1ccsc1	443107387	ZSTSBUXWWMZYPV-HUUCEWRRSA-N	291.485	5.318	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1cscn1)c1cccs1	537966744	CJUVTGHTSLNVEV-XHDPSFHLSA-N	294.489	5.033	0	20	CKAD	
Cc1cscc1N[C@@H](C)c1ccc(-c2ccncc2)cc1	539651200	JYNLYZQCVGCMFM-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
Cc1ccncc1[C@@H](C)Nc1cccc(-c2cccs2)c1	540839416	UYFRSXXTBLMRPS-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
CC(C)c1ccccc1NC(=O)CC1CCCCCC1	622293791	YAPDJQSXPQKYNM-UHFFFAOYSA-N	273.420	5.109	0	20	CKAD	
CC(C)c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1	642396260	YYCPGXFCPPZWDF-HNNXBMFYSA-N	296.414	5.035	0	20	CKAD	
Cc1ccc(NC(=S)Nc2cccc(C3CCC3)c2)cc1	812258619	DGJRQALUZCIAKH-UHFFFAOYSA-N	296.439	5.071	0	20	CKAD	
Cc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1	243391622	MMPZPZWTLZUQSC-UHFFFAOYSA-N	282.387	5.071	0	20	CKAD	
CC(C)C[C@H](N[C@@H]1CCCc2occc21)c1cccs1	447532528	ULUHHXSRPITPTD-CABCVRRESA-N	289.444	5.096	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CC	480531923	UAPHNDQUANGBTF-AWEZNQCLSA-N	275.436	5.137	0	20	CKAD	
Cc1nc(CSc2ccc(Cl)c(Cl)c2)cs1	525200459	NFKFNSNXSXNFGE-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2c(C)cccc2C)s1	545519473	MEFTVOCPEGKLQI-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
CN(C(=O)c1cccc2ccccc12)C1CCCCCCC1	748642481	DOFLWWKATGBUQT-UHFFFAOYSA-N	295.426	5.025	0	20	CKAD	
Cc1cc(Cl)ccc1CNc1cc(C(F)F)ccc1F	864016517	ZACFSKWFECIJEC-UHFFFAOYSA-N	299.723	5.337	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)s2)c(C)c1	37772117	AYNWDQQTIZIMBC-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
CC[C@@H](NCc1cccc2ccccc12)c1ccc(F)cc1	315537780	BIBBAYMYVVPGRE-HXUWFJFHSA-N	293.385	5.220	0	20	CKAD	
O=C(CCCC1CCCC1)Nc1ccccc1C(F)(F)F	443853559	SJFWMNMRRWMSSN-UHFFFAOYSA-N	299.336	5.004	0	20	CKAD	
CC[C@@H](S[C@@H](C)c1nc(C(C)C)no1)c1ccccc1	466980962	LYWKDNHEDSAQBV-GXTWGEPZSA-N	290.432	5.139	0	20	CKAD	
CC[C@@H](SCc1ccc(Cl)nc1)c1ccc(F)cc1	738426189	HBVLEBINKFLZOM-CQSZACIVSA-N	295.810	5.259	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccc[nH]1	773121604	RZYPROVLHUWQPK-CVEARBPZSA-N	290.410	5.094	0	20	CKAD	
CC[C@@H](N[C@H](C)c1nccs1)c1cccc2ccccc12	886790997	UEBMASVBXXQMBX-CXAGYDPISA-N	296.439	5.098	0	20	CKAD	
CC(C)=CC(=O)Nc1ccc(Sc2ccccc2)cc1C	919896085	XPPUNXZKPDOKDD-UHFFFAOYSA-N	297.423	5.051	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CCC	191560115	MBZRKBITTOJDLK-AWEZNQCLSA-N	275.436	5.137	0	20	CKAD	
CSc1ccccc1[C@@H](C)NC1(c2ccccc2)CCC1	442855103	LZCLOJJLGKFVIY-OAHLLOKOSA-N	297.467	5.139	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)c2cccc3ccccc23)c1	474997949	JGQTVSAMDWSLBA-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
CC(C)c1nc(CS[C@@H](C)c2ccccc2F)cs1	507876201	AGGUUWYEDUZHQV-NSHDSACASA-N	295.448	5.400	0	20	CKAD	
CC[C@@H](NCc1ccc(C)c(C)c1)c1ccc(Cl)s1	512244749	QQHHIYPMOXJRAV-CQSZACIVSA-N	293.863	5.259	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1ccoc1)c1cccs1	536860184	VUHVWDILYXYESP-MLGOLLRUSA-N	277.433	5.169	0	20	CKAD	
Cc1ccc2oc(CN[C@@H](C)c3cc(C)sc3C)cc2c1	606911849	JZHLWVSKUIVJEF-ZDUSSCGKSA-N	299.439	5.270	0	20	CKAD	
CC[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ccccc1	608376207	OLXYFXPIFDPFAQ-PMACEKPBSA-N	279.427	5.269	0	20	CKAD	
C=CC(=O)N(C[C@H](CC)CCCC)C[C@H](CC)CCCC	137685730	WUGBLGVVAAUSET-QZTJIDSGSA-N	295.511	5.434	0	20	CKAD	
CC[C@@H](NCc1cc(C)cc(C)c1)c1ccc(Cl)s1	512244925	UJMNAJVCIGTPEV-CQSZACIVSA-N	293.863	5.259	0	20	CKAD	
CC[C@H](SCc1cc(C)on1)c1ccc(Cl)cc1	524218648	AMBFYGHKNBOARP-AWEZNQCLSA-N	281.808	5.021	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(C(C)C)c1)c1ccncc1	527861981	FKTFWGPTYVUBCV-DNVCBOLYSA-N	282.431	5.007	0	20	CKAD	
c1ccc(C(SCc2cscn2)c2ccccc2)cc1	749147949	UIIDBYDEHCVXBA-UHFFFAOYSA-N	297.448	5.166	0	20	CKAD	
C[C@@H](NCc1ccccc1Cl)c1cccc2ccccc12	21063051	MWPCPPVHNCUGKL-CQSZACIVSA-N	295.813	5.344	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1	36967375	JIHLWHCBGNNJLK-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
C[C@H](NCc1cc(-c2ccccc2)cs1)c1ccccc1	38030682	UVRVTHSNQHEWOU-HNNXBMFYSA-N	293.435	5.266	0	20	CKAD	
Fc1cccc(/C=C(/Cl)c2nc3ccccc3s2)c1	213509196	ZWDIIDZIBAXHBR-FMIVXFBMSA-N	289.762	5.172	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](NCc2ccccn2)C(C)C)cc1	236910017	WUGNRRVLWHLZMV-OXJNMPFZSA-N	296.458	5.082	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)Nc1cc(C)cc(C)c1	243418506	MSGQXNLDONXPHL-UHFFFAOYSA-N	296.414	5.072	0	20	CKAD	
Cc1cc(C)c(C(=O)Nc2ccc(C(C)C)cc2C(C)C)[nH]1	471237184	UZKUOBJGCDVLIF-UHFFFAOYSA-N	298.430	5.131	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2cccc(F)c2o1)c1ccsc1	474108106	VFUQVBYLEBANEJ-QWRGUYRKSA-N	289.375	5.045	0	20	CKAD	
CC[C@H](N[C@@H](C)c1sccc1C)c1ccc(Cl)s1	483128005	OXKFYFANUOGABG-QWRGUYRKSA-N	299.892	5.573	0	20	CKAD	
CC[C@@H](Nc1cccc(SC)c1)c1ccc(F)cc1F	523388239	BSXXEXWYJXGOGQ-MRXNPFEDSA-N	293.382	5.250	0	20	CKAD	
Cc1cc(C)c(C(=O)Nc2cccc3ccccc23)c(C)c1	637262463	BTVJRAPMEWOJOF-UHFFFAOYSA-N	289.378	5.017	0	20	CKAD	
COc1ccccc1[C@@H](C)Nc1cccc2ccccc12	19900828	XNUMMKZJLLMUJN-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2Cl)s1	21515852	BZELGDVACOUOQU-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
CC(C)[C@@H](NCc1csc2ccccc12)c1ccccc1	49943341	DQEPLAIWVJLZSD-LJQANCHMSA-N	295.451	5.388	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccccc2C2CC2)c(C)s1	94357632	UPSMXVPIULPJKM-CYBMUJFWSA-N	285.456	5.093	0	20	CKAD	
Cc1c([C@@H](C)Nc2cccc(C(C)C)c2)cnn1C(C)C	191420800	ABTPXABTCAETLK-CQSZACIVSA-N	285.435	5.069	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc3ccccc23)cc1	314170146	VBWYOSUTYFIPRV-IRXDYDNUSA-N	289.422	5.560	0	20	CKAD	
C[C@H](CCC1CC1)NC(c1cccs1)c1cccs1	398067161	JXYBTPCOHASHMZ-GFCCVEGCSA-N	291.485	5.067	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1cc(C)oc1C	442856289	CZMUMBKPLLEHDZ-STQMWFEESA-N	289.444	5.030	0	20	CKAD	
C[C@H](CSCc1ccc(C(F)F)cc1)C(F)(F)F	460780526	WWEPWEQOONHLSG-MRVPVSSYSA-N	284.293	5.056	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1ccc(Cl)cn1	462938857	KCTCWLDSHZWSNK-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
CC(C)(C)OCCCCSCCCc1ccsc1	473786128	LMIZRHKJZWUUBJ-UHFFFAOYSA-N	286.506	5.009	0	20	CKAD	
C[C@@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccco1	484492725	BDEBJLSZZYXQEQ-ACJLOTCBSA-N	287.378	5.001	0	20	CKAD	
Clc1ccc(CSc2ccccc2)c2ncccc12	515087525	AOGLPOLIEMHAFZ-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
Cc1ccccc1[C@H](C)Nc1ccc(COC(C)C)cc1	538528724	XWCWYCAJKUWVIU-INIZCTEOSA-N	283.415	5.093	0	20	CKAD	
CC[C@H](N[C@H](CC1CC1)c1ccccc1)c1ccccc1	608376217	OLXYFXPIFDPFAQ-VQTJNVASSA-N	279.427	5.269	0	20	CKAD	
CC(C)c1ccc(C[S@@](=O)C2CCCC2)c(C(C)C)c1	609359504	IOGPAHWJKWYXEM-HXUWFJFHSA-N	292.488	5.125	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(COC(C)(C)C)cc2)o1	679062283	FAJLGGCMXDIUJK-CQSZACIVSA-N	287.403	5.076	0	20	CKAD	
C1=Cc2ccccc2N/C1=C/C=C/c1ccc2ccccc2n1	5800586	REOCSPLXISDNLW-HJKRXEAPSA-N	296.373	5.271	0	20	CKAD	
Cc1ncc([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)s1	90399362	AZLPZNBZXSGQHV-QWHCGFSZSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)C(C)C)c(C)c1	498051601	CLWNDNWWYIMBNC-UONOGXRCSA-N	293.476	5.116	0	20	CKAD	
COc1c(Cl)cccc1N[C@@H](C)c1ccc(Cl)cc1	518013296	HEISDQPXGKGVSD-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
Cc1cc(Oc2ccccc2)ccc1NC(=O)CC(C)(C)C	596898210	YPAPFSFLXPNEGY-UHFFFAOYSA-N	297.398	5.162	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccccc1)c1ccc(F)cc1F	606467383	HGZKWUFAUHZLRZ-MSOLQXFVSA-N	289.369	5.157	0	20	CKAD	
COCc1ccc(N[C@@H](CC(C)C)c2cccs2)cc1	774485331	NFANSPJIICRIJQ-INIZCTEOSA-N	289.444	5.094	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc2ccccc2[nH]1)c1ccc(C)cc1	775626114	HWXJVFCZHPISOK-MAUKXSAKSA-N	292.426	5.278	0	20	CKAD	
CC[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccsc1	394299108	QUZPLIIIDJOTEF-CYBMUJFWSA-N	285.334	5.330	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2ccc3ccccc3c2)cc1F	409604600	QEILWXCNNNFNER-OAHLLOKOSA-N	293.385	5.138	0	20	CKAD	
C[C@H](Nc1ccc2[nH]ccc2c1)c1cccc(Cl)c1F	478406480	DYWCKLIFSNLBBU-JTQLQIEISA-N	288.753	5.134	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ncccc2C)C(C)C)cc1C	483156346	YPQLVJGGBDWGGE-PKOBYXMFSA-N	296.458	5.055	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@@H]2CCCC(F)(F)C2)cc1	539063048	OSBBDKOWIJMHIF-GXTWGEPZSA-N	299.430	5.027	0	20	CKAD	
CC[C@H](N[C@@H](C)c1c(C)cccc1C)c1cccs1	544896313	AHNIPEAFDMYPKP-GJZGRUSLSA-N	273.445	5.167	0	20	CKAD	
CCCC[C@@H](C)N(CCCC)C(=S)Nc1ccsc1	840761018	NMQZWSJYSKJAPL-CYBMUJFWSA-N	298.521	5.126	0	20	CKAD	
C[C@H](NC(c1cccs1)c1cccs1)c1ccccc1	37185853	PZVNNMGWOCVKSJ-ZDUSSCGKSA-N	299.464	5.250	0	20	CKAD	
Cc1ccc([C@H](C)NCc2cc(Cl)cc(Cl)c2)cc1	37770572	GLYDJTYXZHPDCV-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
Cl/C(=C\c1ccccc1Cl)c1nc2ccccc2o1	48439007	WYQBUTKCOCVQRS-XFXZXTDPSA-N	290.149	5.218	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@@H]2CCSc3ccccc32)c1	130325551	RRIIJFMSGXRBPC-MAUKXSAKSA-N	297.467	5.191	0	20	CKAD	
C[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1	174353335	IINUBXBWEANTFT-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccs1)c1ccc(Cl)s1	178178039	VOXGGAOTNDNZSE-NXEZZACHSA-N	285.865	5.265	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2csc(Cl)c2)c1	191448491	QQMXEYOFDCCUDW-LLVKDONJSA-N	295.835	5.111	0	20	CKAD	
Cc1cc(CSCc2ccc(-c3ccccc3)cc2)no1	302952880	NAFQVSKELLWZMW-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
c1cc(NCc2ccnc3ccccc23)c2sccc2c1	395328499	XVODILBKUGIVRO-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
CCc1ccc(CN[C@H](CC)c2ccc(Cl)s2)cc1	512246916	ZDOYOUMABCIGSB-CQSZACIVSA-N	293.863	5.205	0	20	CKAD	
CC[C@@H](N[C@H](C)c1c(C)cccc1C)c1cccs1	544896314	AHNIPEAFDMYPKP-HUUCEWRRSA-N	273.445	5.167	0	20	CKAD	
C[C@H](N[C@H]1CCCc2occc21)c1csc2ccccc12	774171740	MWWZFIHRUSINGV-LRDDRELGSA-N	297.423	5.223	0	20	CKAD	
Cc1nc([C@H](C)Nc2cccc3ccccc23)c(C)s1	20086700	XYDBOOZKTWADQW-NSHDSACASA-N	282.412	5.086	0	20	CKAD	
Cc1ccccc1N[C@@H](C)c1ccc(C(F)(F)F)cc1	21796421	CNUDYFAIPIKHHL-LBPRGKRZSA-N	279.305	5.187	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2)o1	36960333	RLOBZJIUFSDIGM-NEPJUHHUSA-N	297.320	5.019	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc(C)sc2C)s1	37122947	WVJIPAHMVMRUBI-NWDGAFQWSA-N	279.474	5.147	0	20	CKAD	
CC(C)C[C@H](N[C@H](C)c1ccsc1)c1ccccc1	50341848	UJJYPNOYFJTYRB-PBHICJAKSA-N	273.445	5.186	0	20	CKAD	
CCc1ccccc1NC(=O)[C@@H](c1ccccc1)[C@H](C)CC	57325142	AWZHLQUMHPETOE-DNVCBOLYSA-N	295.426	5.017	0	20	CKAD	
Cc1c([C@@H](C)N[C@H](C)c2ccsc2)oc2ccccc12	61361447	KHOQYEYGDCNGEN-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
Cc1csc([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)n1	80274376	UHDOXGRDKFVMEV-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CCc1[nH]ccc1C(=O)Nc1c(C(C)C)cccc1C(C)C	285123171	POEDRSJFDXVUBV-UHFFFAOYSA-N	298.430	5.076	0	20	CKAD	
Cc1nc(CS[C@@H](C)c2ccc3ccccc3c2)cs1	303313913	SXULWKZJQIWQMC-LBPRGKRZSA-N	299.464	5.599	0	20	CKAD	
C[C@@H](Sc1cccs1)c1cccc(Cl)c1	303667641	IXLKAZRIQOWSOC-SECBINFHSA-N	254.807	5.255	0	20	CKAD	
CC(C)c1ccc([C@H](C)NCc2cccc3cc[nH]c23)cc1	319211719	OKCZDJOPNOHQMJ-HNNXBMFYSA-N	292.426	5.142	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)c1cc(C(C)C)oc1C	507759826	QYKAIFIXWHGBLX-UHFFFAOYSA-N	299.414	5.089	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)o1	540187022	DSFSMEZFSAZNFN-QWRGUYRKSA-N	295.785	5.046	0	20	CKAD	
C[C@H](Nc1cccc(Cl)c1)c1ccc2ccccc2n1	540724099	WOWBVQMRJHHURK-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
C[C@@H](Nc1ccc(Oc2ccccn2)cc1)c1ccccc1	605594735	KJXGOGFCZYLMJV-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
C[C@@H](CC(=O)Nc1cccc(C(F)F)c1)CC(C)(C)C	625045402	JIIBDJNUIVPVEU-NSHDSACASA-N	283.362	5.025	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)cs1	381698047	GNIHVRBNRXRSOX-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
CCC(CC)(CC)[S@@](=O)[C@H]1CCc2c(Cl)cccc21	431210032	QZACPZIBJHOYRS-KXBFYZLASA-N	298.879	5.045	0	20	CKAD	
CC(F)(F)c1cccc(NCc2ccc(Cl)s2)c1	435883652	LZHOOXIZAADGGT-UHFFFAOYSA-N	287.762	5.125	0	20	CKAD	
Cc1ccc([C@H](N[C@H](C)c2sccc2C)C2CC2)cc1	532453745	LVABYNUBJRFAEF-PBHICJAKSA-N	285.456	5.167	0	20	CKAD	
CC(C)=CCC[C@@H](C)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	580835023	GIEJTCYJMFHJCD-MNEFBYGVSA-N	297.442	5.177	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccc(F)cc1F)c1ccccc1	606467386	HGZKWUFAUHZLRZ-ZWKOTPCHSA-N	289.369	5.157	0	20	CKAD	
Cc1cccc(N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)c1	776777675	VQURPCZIVRPCRW-SNVBAGLBSA-N	295.213	5.057	0	20	CKAD	
CC(C)c1ccc(-c2csc(-c3cccc(N)c3)n2)cc1	4245579	IINLUKYXQOWQHR-UHFFFAOYSA-N	294.423	5.183	0	20	CKAD	
Cc1c(C(=O)Nc2ccccc2C(C)C)oc2ccccc12	6375397	MRYWSCIYFVSXBD-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2ccc(C)cc2)cc1	36994394	PBCWOPXIDMNWHA-CABCVRRESA-N	285.456	5.129	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)c1	96497082	VYXNAVMWPLTXDX-HUUCEWRRSA-N	287.834	5.369	0	20	CKAD	
Cc1oc(-c2ccccc2)nc1CSc1ccccc1F	251993235	JRXAGWNIMJEFNP-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CC(C)c1ccc([C@@H](C)NCc2cccc3cc[nH]c23)cc1	319211722	OKCZDJOPNOHQMJ-OAHLLOKOSA-N	292.426	5.142	0	20	CKAD	
CCCC(CCC)[S@](=O)[C@H]1CCc2c(Cl)cccc21	443400232	VCTHHQJLRATRSW-LPHOPBHVSA-N	298.879	5.045	0	20	CKAD	
CC(C)c1ccc([C@H](N[C@H](C)c2ccccn2)C(C)C)cc1	500652178	OQWNUILBDNEQBL-OXQOHEQNSA-N	296.458	5.253	0	20	CKAD	
CCCC[C@H](C)C(=O)Nc1ccccc1-c1cccs1	501558076	BFXFGYNLQHAESJ-ZDUSSCGKSA-N	287.428	5.180	0	20	CKAD	
CC[C@H](C)c1ccc(-c2csc([C@@H](C)COC)n2)cc1	503949577	GEFQIMIVHLCTCZ-STQMWFEESA-N	289.444	5.074	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccs1)c1cccc(C2CC2)c1	563825113	GHBWOCXLMPFVRD-STQMWFEESA-N	271.429	5.037	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccc(SC(C)(C)C)cc1C	751257536	UDFKQBOPQFJMSM-WQLSENKSSA-N	291.460	5.180	0	20	CKAD	
C[C@@H]1CC/C(=C\C(=O)Nc2ccccc2-c2cccs2)C1	753576752	GYMZVLJOUIQFSK-MNWMYKRDSA-N	297.423	5.100	0	20	CKAD	
C(=C\c1cncc2ccccc12)\c1nc2ccccc2s1	772808659	XMHUDFFPSZSYOB-KTKRTIGZSA-N	288.375	5.015	0	20	CKAD	
C[C@@H](SCCc1cccs1)c1ncc(C(C)(C)C)o1	783581722	DGAVCDKPTPNWII-LLVKDONJSA-N	295.473	5.071	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccc(F)cc2C)c(C)s1	815555717	GMXHFMPEMDDUFR-QWHCGFSZSA-N	291.435	5.224	0	20	CKAD	
CCCCCC[C@H](C)N[C@@H](C)c1ccc(C(F)F)nc1	850419746	HCFNOINXZFSHDL-STQMWFEESA-N	284.394	5.029	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(Cl)cc1	231635022	XKIQZWKZRBHDLY-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CC(C)(C)[C@@H](NCc1cccc2cc[nH]c12)c1ccccc1	236656854	ILTTUWZRITVJCE-IBGZPJMESA-N	292.426	5.045	0	20	CKAD	
CCSCc1cccc(N[C@H](C)c2ccccc2)c1	439596666	LXQRZDTXMIWMBY-CQSZACIVSA-N	271.429	5.113	0	20	CKAD	
CCC[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccsc1	443088084	LYJYUAZLJVNZIQ-ROUUACIJSA-N	285.456	5.330	0	20	CKAD	
Cc1ccc(NCc2csc(C3CCCC3)n2)cc1C	444420061	CEZMEZZYWOYIDV-UHFFFAOYSA-N	286.444	5.030	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@H](C)c2nccs2)cc1	448023811	VDIGGTXSKVDAGR-GFCCVEGCSA-N	274.433	5.004	0	20	CKAD	
C[C@H](c1cccc(Cl)c1)[S@](=O)C1CCC(C)(C)CC1	469462456	ITRGBMKZKXYDHL-BLVKFPJESA-N	298.879	5.119	0	20	CKAD	
CCSc1cccc(CN[C@@H](CC)c2cccs2)c1	472063130	NEJOCKYBLXSIGD-HNNXBMFYSA-N	291.485	5.101	0	20	CKAD	
COc1ccc([C@@H](C)Nc2cc(C)ccc2C)cc1Cl	507460462	NDVLKKZYWYLVDC-CYBMUJFWSA-N	289.806	5.139	0	20	CKAD	
CCC[C@@H](C)CC(=O)N(c1ccc(F)cc1Cl)C(C)C	516509789	BVDULICHJXIHMC-GFCCVEGCSA-N	299.817	5.047	0	20	CKAD	
Cc1nc2c(s1)[C@@H](Nc1ccc(C(C)C)cc1)CCC2	537408397	AEDOZEUCPWUYFN-INIZCTEOSA-N	286.444	5.064	0	20	CKAD	
CCSCc1cccc(N[C@H](C)c2cccs2)c1	537535814	GUCBSQJALWHUOJ-GFCCVEGCSA-N	277.458	5.174	0	20	CKAD	
C[C@H](Nc1ccc(F)cc1)c1cccc(-c2ccncc2)c1	539609266	ISUKETNGAOEMII-AWEZNQCLSA-N	292.357	5.061	0	20	CKAD	
Cc1ccc2oc(CN[C@H]3C[C@H](C)c4ccccc43)cc2c1	577545740	CTQCVTAGVWJUDN-LIRRHRJNSA-N	291.394	5.079	0	20	CKAD	
CCCCCC[C@@H](CC)C(=O)N(C)[C@@H](C)c1cccs1	740923524	HSRFQBGQNMFLLC-LSDHHAIUSA-N	295.492	5.264	0	20	CKAD	
CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1c1ccsc1	775658857	DDJKVYPIYAWXIS-ZBFHGGJFSA-N	293.476	5.018	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1	37508197	TUSAOBLLHKCGRR-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
Cc1ccc(Cl)cc1NC(=O)c1sccc1C(C)C	48877333	ZIDHQURRLQWFAJ-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
CC[C@H](NCc1ccc(F)c(C)c1)c1cccc(Cl)c1	50545139	DHLHHIVSLWIGGK-KRWDZBQOSA-N	291.797	5.028	0	20	CKAD	
CC(C)[C@H](NCc1cc(Cl)cs1)c1ccc(F)cc1	93093745	QXBJSTIWSXNVKV-HNNXBMFYSA-N	297.826	5.028	0	20	CKAD	
Cc1c([C@@H](C)N[C@H]2CCc3ccccc32)oc2ccccc12	315096519	BOTXIZLNMBYXMF-KDOFPFPSSA-N	291.394	5.079	0	20	CKAD	
Cc1c([C@H](C)Nc2nccc3occc23)oc2ccccc12	462779573	NVFQECACYSVHLD-LBPRGKRZSA-N	292.338	5.056	0	20	CKAD	
CC(C)[C@H](Nc1csc2ccccc12)c1cccnc1	495406454	FXJDAPWBLCZGNP-KRWDZBQOSA-N	282.412	5.106	0	20	CKAD	
C[C@H](Sc1c(Cl)cccc1Cl)c1cccnc1	618426457	PCUBFUZMSSDVHK-VIFPVBQESA-N	284.211	5.242	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccccc1)c1ccc(F)cc1	642630541	NANWPWGAMMRXCW-GOSISDBHSA-N	285.406	5.093	0	20	CKAD	
CCCCCC[C@@H](CC)C(=O)N(C)[C@H](C)c1cccs1	740923523	HSRFQBGQNMFLLC-HUUCEWRRSA-N	295.492	5.264	0	20	CKAD	
Cc1cc(F)ccc1/C=C(/Cl)c1nc2ccccc2o1	750901190	COROWWCYLWVGTB-UKTHLTGXSA-N	287.721	5.012	0	20	CKAD	
FC(F)c1ccc(CSC[C@H]2CC2(Cl)Cl)cc1	763401743	BHCQPZCAYKCKGU-SNVBAGLBSA-N	297.197	5.051	0	20	CKAD	
CCCCCS[C@@H](C)c1nnc(-c2cccc(C)c2)o1	774659241	MDUDYMRPDSDNMD-ZDUSSCGKSA-N	290.432	5.029	0	20	CKAD	
CCCCCC(=O)N1CCC[C@@H]1c1cccc2ccccc12	65884391	GYGFWELUCPWNNH-LJQANCHMSA-N	295.426	5.084	0	20	CKAD	
CCCOc1ccccc1NCc1ccc(C(F)F)cc1	131324368	YZGRZMBEXLXGOK-UHFFFAOYSA-N	291.341	5.025	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1cccnc1Cl	182498888	QSQMPXIWPGKPBK-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
Cc1cccc([C@@H](N[C@@H](C)c2cc(C)ccn2)C(C)(C)C)c1	519441310	OCPXWJPHPJDJAO-QFBILLFUSA-N	296.458	5.136	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)cc1	531960820	VVZGEKVZWWTBHA-ZIAGYGMSSA-N	289.444	5.112	0	20	CKAD	
CC(C)c1ccc([C@@H](N[C@@H](C)c2cccnc2)C(C)C)cc1	538869583	CXGFJOVQYNZXQG-JXFKEZNVSA-N	296.458	5.253	0	20	CKAD	
C[C@@H](Nc1ccc(-c2ccccn2)cc1)c1ccc(F)cc1	562233733	FATHFZUZSDSVHB-CQSZACIVSA-N	292.357	5.061	0	20	CKAD	
C[C@@H](Nc1ccc(-c2ccccn2)cc1)c1ccccc1F	577432001	IPNALKIMFHWEHY-CQSZACIVSA-N	292.357	5.061	0	20	CKAD	
CC[C@@H](C)CCCCC(=O)N1[C@H]2CC[C@H]1c1ccccc12	680033946	MOWMHQJGIQBDSQ-JLSDUUJJSA-N	285.431	5.011	0	20	CKAD	
Cc1ccc(-c2ccsc2-c2nc(C3CCC3)no2)cc1	904869051	PEOXMACORMZWON-UHFFFAOYSA-N	296.395	5.041	0	20	CKAD	
CCc1cccc(NC(=O)c2ccccc2SC(C)C)c1	69005231	KHISCYDMVXNPRH-UHFFFAOYSA-N	299.439	5.002	0	20	CKAD	
CC[C@@H](N[C@@H]1CCc2sc(Cl)cc21)c1cccs1	129613929	XZPXSIITRFIGNT-GHMZBOCLSA-N	297.876	5.191	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1cccc(C2CC2)c1	556054295	FWIWRORQSPOKHW-BFUOFWGJSA-N	297.467	5.427	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](CC1CC1)c1ccccc1	679046705	SRGANINVDXLLKS-RHSMWYFYSA-N	285.456	5.249	0	20	CKAD	
C[C@@H](SCc1nc2ccccc2s1)c1cccs1	737405656	JPGMHZYWTXGUSC-SNVBAGLBSA-N	291.466	5.352	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc(F)ccc2F)c(C)s1	36921784	ISVBRUZLNHTXNJ-WDEREUQCSA-N	295.398	5.055	0	20	CKAD	
CC[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)C	303260270	PECVBVHRSNOPKD-JTQLQIEISA-N	288.218	5.004	0	20	CKAD	
C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)c1cc2ccccc2o1	319454998	KJXNSXZRXPKABF-GLJUWKHASA-N	291.394	5.332	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1sccc1C)c1ccc(Cl)s1	483128006	OXKFYFANUOGABG-WDEREUQCSA-N	299.892	5.573	0	20	CKAD	
CCc1cnc(CNc2ccc(C(C)C)cc2C(C)C)o1	532114788	MSNPIRXRGHYDEZ-UHFFFAOYSA-N	286.419	5.096	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1ccoc1)C(C)(C)C	532521957	CCDLOEJVUGODQU-WMLDXEAASA-N	271.404	5.026	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(-c2cccs2)cc1	773120609	QBZLMNJKGUKMBZ-ZIAGYGMSSA-N	296.439	5.155	0	20	CKAD	
Cc1ccccc1CN[C@@H](C)c1csc2ccccc12	776171139	XZIRBEYDDMLHMQ-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
C[C@@H](Nc1ccc(SC(C)(C)C)cc1)c1cscn1	777673216	INUKDTOUBYCEKP-LLVKDONJSA-N	292.473	5.207	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1ccc(C)cc1	37048049	VODRVINPHOYNCL-JKSUJKDBSA-N	273.445	5.249	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2)c(C)s1	94826818	NEKRALVUGGUSIH-MNOVXSKESA-N	295.398	5.055	0	20	CKAD	
C[C@H](NCc1ccco1)c1cc2c(ccc3ccccc32)o1	181393132	JRFHYIZGTMQRMC-ZDUSSCGKSA-N	291.350	5.030	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)c(F)c2)s1	212714772	HZCPCRXVQVCJEU-QWRGUYRKSA-N	297.826	5.261	0	20	CKAD	
CCCCCC[C@@H](CCCC)COc1ccsc1	216462091	VLEMHWWRUMHLOL-OAHLLOKOSA-N	268.466	5.904	0	20	CKAD	
CCOc1ccc(N[C@H](CC)c2ccccc2)cc1OCC	314253571	XTADLSQSVSVWJK-QGZVFWFLSA-N	299.414	5.047	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1cc(C)oc1C	442856286	CZMUMBKPLLEHDZ-QWHCGFSZSA-N	289.444	5.030	0	20	CKAD	
C[C@H](N[C@H](C)c1ccco1)c1ccc(Cl)c2ccccc12	462846485	VOMIJIPDHIHHTA-QWHCGFSZSA-N	299.801	5.498	0	20	CKAD	
CC[C@@H](C)c1ccc(-c2csc([C@@H](C)COC)n2)cc1	503949572	GEFQIMIVHLCTCZ-OLZOCXBDSA-N	289.444	5.074	0	20	CKAD	
CC(C)n1ccc(CS[C@H](C)c2ccc(Cl)cc2)n1	609722121	FMZHDQOKLKRNDT-GFCCVEGCSA-N	294.851	5.112	0	20	CKAD	
CCSc1ccccc1[C@@H](C)N[C@H](C)c1ccsc1	669851038	SQGKUFUIHFKUBX-CHWSQXEVSA-N	291.485	5.272	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccs1)c1cccc(Cl)c1	21061364	PLCAOEICKPWVGN-BXUZGUMPSA-N	279.836	5.203	0	20	CKAD	
CC[C@H](NCc1cccc(C(F)(F)F)c1)c1cccs1	21513287	MDRCQTSNGJDHGO-ZDUSSCGKSA-N	299.361	5.008	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccccc1F	37764410	OUTFOGXAMPPZPX-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Cc1ccccc1SCc1coc(-c2cccc(F)c2)n1	60430511	DVOBAELDEXNHRW-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
Cc1cscc1CN[C@H](C)c1ccc2ccccc2c1	94878262	XTUITVOHZMKFJW-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
Cc1ccoc1CN[C@@H](C)c1cccc(-c2ccccc2)c1	426287497	AAPZYJVTWRJGLC-INIZCTEOSA-N	291.394	5.106	0	20	CKAD	
CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(Cl)s1	437110790	NQNQJFIVCYKESO-IUCAKERBSA-N	299.789	5.029	0	20	CKAD	
CCc1cccnc1[C@H](C)Nc1cccc2ccsc12	507448662	LFRBQJALFNUMOI-LBPRGKRZSA-N	282.412	5.032	0	20	CKAD	
CC(C)c1ccc([C@@H](N[C@H](C)c2ccncc2)C(C)C)cc1	507647427	ASCUJZHPSDOKFB-UZLBHIALSA-N	296.458	5.253	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccccc1F	531705783	TUMNJKWVCHKNER-IFXJQAMLSA-N	283.390	5.018	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)o1)c1ccc(Cl)cc1	36960348	JCVVHRFLRBOURK-WFASDCNBSA-N	277.795	5.043	0	20	CKAD	
Cc1ccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)cc1	37119021	FMCSCRYVQHSCTA-GOSISDBHSA-N	285.406	5.011	0	20	CKAD	
C[C@H]1C[C@H](N[C@@H](C)c2ccsc2)c2ccsc2S1	217000193	YVHJIYLQGJSGJU-KWBADKCTSA-N	295.498	5.086	0	20	CKAD	
C[C@@H]1C[C@@H](N[C@@H]2CCSc3ccccc32)c2ccccc21	313887294	DCPADPKPZHJXMS-FSPWUOQZSA-N	295.451	5.062	0	20	CKAD	
C[C@H](N[C@H]1CCCc2occc21)c1cccc2ccccc12	314354315	LVCJPGRLPZHWOZ-LIRRHRJNSA-N	291.394	5.161	0	20	CKAD	
COCc1ccc(N[C@@H](C)c2ccc3ccccc3c2)cc1	318935019	AZPDYNZORHYXTJ-HNNXBMFYSA-N	291.394	5.159	0	20	CKAD	
CC[C@@H](NCCC(C)(F)F)c1ccc(Cl)c(Cl)c1	386203650	XKHNTIRZKOUSTC-GFCCVEGCSA-N	296.188	5.079	0	20	CKAD	
C[C@H](NC(C)(C)c1cccs1)c1cccc(Cl)c1F	481009524	BLTYWGICEDWYIP-JTQLQIEISA-N	297.826	5.127	0	20	CKAD	
CC[C@@H](CC1CCCC1)C(=O)Nc1cc(F)ccc1Cl	522250990	MSSGKQJYUQFJHO-LBPRGKRZSA-N	297.801	5.024	0	20	CKAD	
O=C(Nc1ccccc1-c1cccs1)C1CCCCCC1	522370572	YNPYKYLRTHSAAD-UHFFFAOYSA-N	299.439	5.324	0	20	CKAD	
Cc1ccc(NC(=O)[C@H](CC(C)C)c2ccccc2)c(C)c1	525331987	KXUCEQXSYIGBPG-GOSISDBHSA-N	295.426	5.072	0	20	CKAD	
CCC[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccccc1	527962385	DCYLHESGCFVLJM-AZUAARDMSA-N	294.442	5.054	0	20	CKAD	
CC(C)=C(C)C(=O)Nc1ccccc1SC1CCCC1	751115531	JNTJSJGLSBIOSS-UHFFFAOYSA-N	289.444	5.016	0	20	CKAD	
CCC(F)(F)c1ccccc1N[C@@H](C)c1cnc(C)s1	866615789	SYQAPGCTYLLJKR-JTQLQIEISA-N	296.386	5.126	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1cc2ccccc2s1	121973736	ZKUFWGVHJYIFIB-NEPJUHHUSA-N	287.453	5.375	0	20	CKAD	
C[C@@H](Nc1ccc2ncsc2c1)c1ccc(Cl)cc1	226367320	HLHAMDLAGBZKOJ-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CCC(CC)[C@H](NCc1ccsc1)c1cccs1	236704142	GMZRSUIWIYDQLD-HNNXBMFYSA-N	279.474	5.077	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc2ccccc12)c1ccccc1	302928114	CVSJZJAOQQJWGH-IERDGZPVSA-N	289.422	5.642	0	20	CKAD	
Cc1ccc(-c2csc(/C=C\c3scnc3C)n2)cc1	463043119	MWAWSYJDQHMNHL-FPLPWBNLSA-N	298.436	5.054	0	20	CKAD	
Cc1coc2ccc(NC(=O)c3sccc3C(C)C)cc12	479033655	GOCBUCNPTFXLGV-UHFFFAOYSA-N	299.395	5.178	0	20	CKAD	
Cc1noc(C)c1CS[C@H](C)c1ccc(F)c(Cl)c1	498133047	VCCHDDBSXAUQTL-SNVBAGLBSA-N	299.798	5.078	0	20	CKAD	
CC(C)OCCS[C@H](C)c1cccc2ccccc12	519017412	GAGGYJSEFJQYTO-CQSZACIVSA-N	274.429	5.059	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCN2C(=O)C2CCCCC2)cc1	534783821	XVRHKLGQXAJSBT-IBGZPJMESA-N	299.458	5.054	0	20	CKAD	
Cc1ccc(C2CC2)c(C(=O)Nc2ccc(Cl)cc2C)c1	622285751	ASCSHMIWCFGHTB-UHFFFAOYSA-N	299.801	5.087	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)C1CCCC1	658036252	ZNAVFZFAADRRQJ-IUODEOHRSA-N	296.405	5.029	0	20	CKAD	
CC[C@H](C)[C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1	7610129	PBBPAYUUZQHDGX-HNAYVOBHSA-N	295.426	5.072	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)(C)C)cc1)c1cccs1	48416916	GCPJUJANJCJQCO-MRXNPFEDSA-N	287.472	5.287	0	20	CKAD	
Cc1ccccc1-c1csc(-c2sccc2C)n1	48640321	FOFNLKKQHRNOJO-UHFFFAOYSA-N	271.410	5.155	0	20	CKAD	
C[C@H](N[C@H]1CCCc2occc21)c1cc2ccccc2s1	126413370	YHYZKFDTTIXCKJ-WFASDCNBSA-N	297.423	5.223	0	20	CKAD	
CCOc1ccc(N[C@@H](CC)c2ccccc2)cc1OCC	314252531	XTADLSQSVSVWJK-KRWDZBQOSA-N	299.414	5.047	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H]2CCCc3occc32)oc2ccccc12	315712308	XJEKPLKTMDSLOV-CZUORRHYSA-N	295.382	5.062	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1cccc(C)c1	387977251	FHFHYTLLJIECRD-JKSUJKDBSA-N	273.445	5.249	0	20	CKAD	
Cc1nc(CNc2ccccc2-c2ccccc2)c(C)s1	443467495	MFIRIPZGHLCCGR-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1cc(N[C@@H](C)c2ncc(C(C)(C)C)o2)ccc1C1CC1	478418986	VXDWZHOKQAWAOC-ZDUSSCGKSA-N	298.430	5.331	0	20	CKAD	
c1ccc(-c2ccoc2-c2nc(C3CCCCC3)no2)cc1	904358580	TYSNIIKPAIRITC-UHFFFAOYSA-N	294.354	5.044	0	20	CKAD	
CCOc1ccccc1-c1nc(-c2ccccc2C)cs1	918197239	IGKOUDKNDISFDK-UHFFFAOYSA-N	295.407	5.184	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccsc1	50342283	DLDPVDSGIWUBBS-MNOVXSKESA-N	299.361	5.179	0	20	CKAD	
C[C@H](N[C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccco1	531938004	ZEECZENRJJRDOF-XJKSGUPXSA-N	289.394	5.247	0	20	CKAD	
C[C@@H](SCc1csc(C2CC2)n1)c1ccccc1F	536191553	INHRJIYKVPZEIZ-SNVBAGLBSA-N	293.432	5.154	0	20	CKAD	
FC1(F)CCC[C@H](N[C@@H](c2cccs2)C2CCCC2)C1	536843428	CQCZLIYFAOENFZ-DZGCQCFKSA-N	299.430	5.147	0	20	CKAD	
CCc1cnc(CS[C@H](C)c2cccc(Cl)c2F)o1	547813228	UFKIYOIICAKLEL-SECBINFHSA-N	299.798	5.024	0	20	CKAD	
CCSc1ccc([C@@H](C)NCc2ccsc2C)cc1	550123753	YSYALXRGHATTOD-GFCCVEGCSA-N	291.485	5.019	0	20	CKAD	
Cc1cc(CS[C@@H](C)c2cccs2)c2ccccc2n1	737405630	IYFABMVDYVOANU-ZDUSSCGKSA-N	299.464	5.599	0	20	CKAD	
CC(C)(C)SCCSC1=Nc2ccccc2CS1	801656205	YJWZPOBEYQLHEV-UHFFFAOYSA-N	297.514	5.186	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc(C)sc2C)cc1	37122992	FMYGZWOUTFCBQQ-KBPBESRZSA-N	273.445	5.085	0	20	CKAD	
CC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1cccs1	183093766	GNODZGOLYWGYJV-IUODEOHRSA-N	275.417	5.019	0	20	CKAD	
Cc1cccc(SCc2coc(-c3cccs3)n2)c1	519120744	RKQDOMHFBKXPGF-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C[C@H](Nc1cccc(CC(F)(F)F)c1)c1cccc(F)c1	537534686	HCSQWIVTTNFDEC-NSHDSACASA-N	297.295	5.104	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H](C)c2cccc3ccccc23)o1	539950390	FTRVUYRQHYYDFU-KBPBESRZSA-N	297.423	5.692	0	20	CKAD	
C[C@@H](NC1(c2cccc(F)c2)CC1)c1cccc(C2CC2)c1	556149447	MGALHMFDKODKIJ-CQSZACIVSA-N	295.401	5.043	0	20	CKAD	
CC(C)(C)CCCCC(=O)N1CCC[C@H]1c1ccsc1	557429420	ZSETTYRYSMFDDH-HNNXBMFYSA-N	293.476	5.018	0	20	CKAD	
Cc1ncc(CNc2ccc(-c3ccccc3)cc2C)s1	608015050	ADYOPBXLMZNGOF-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC(C)c1ccc(C[S@](=O)C2CCCC2)c(C(C)C)c1	609359503	IOGPAHWJKWYXEM-FQEVSTJZSA-N	292.488	5.125	0	20	CKAD	
CC(C)c1cnc(COc2ccccc2-c2ccccc2)o1	733303862	DXHAKQKTCGHOMF-UHFFFAOYSA-N	293.366	5.044	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(Cl)c2Cl)o1	221783375	TWDQAUQPLHZTHW-QWRGUYRKSA-N	298.213	5.307	0	20	CKAD	
CCc1cccc(NC(=O)Nc2ccccc2C(C)(C)C)c1	502680295	PRZZIVCEKIFDPR-UHFFFAOYSA-N	296.414	5.191	0	20	CKAD	
Cc1cccc(CN[C@H](C)c2ccc(SC(C)C)cc2)c1	504032669	KBJZKACLGNBRKG-MRXNPFEDSA-N	299.483	5.346	0	20	CKAD	
Cc1cccc([C@H](C)Nc2ccc(COC(C)C)cc2)c1	525761969	YLDQLVGLGHIDDD-INIZCTEOSA-N	283.415	5.093	0	20	CKAD	
CCC[C@H](NCc1ccc(C(C)(C)C)cc1)c1cccnc1	542678095	QKQIGDZCNQNWPT-IBGZPJMESA-N	296.458	5.010	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1cccc(C(F)F)c1	741921192	ZCKVRKVGTOVEBF-LBPRGKRZSA-N	283.362	5.169	0	20	CKAD	
FC(F)C1CC(Nc2ccccc2SC2CCCC2)C1	768667449	COJWITLKTOZTGE-UHFFFAOYSA-N	297.414	5.177	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1cc2ccccc2[nH]1	924592610	SMEWQZDSWRTAPY-SGTLLEGYSA-N	296.439	5.031	0	20	CKAD	
Cc1ccsc1CN[C@@H](c1ccc(F)cc1)C(C)(C)C	37119088	OKCJUSWMBDFZSO-INIZCTEOSA-N	291.435	5.073	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc2ccccc2c1)c1ccsc1	61360768	DRAMQRXWBLTHLV-KGLIPLIRSA-N	281.424	5.313	0	20	CKAD	
CCCCC[C@H](NCc1ccsc1)c1ccccc1	62815787	WUKVUBGPNOCGQT-KRWDZBQOSA-N	273.445	5.159	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@H](C)c1ccc(Cl)s1	163286101	AVPGURZRSRQCCU-DTWKUNHWSA-N	299.789	5.173	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2occc21)c1ccc2ccccc2c1	386240879	SMBGWCBRPNWVGM-IFXJQAMLSA-N	291.394	5.161	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccsc1	443093229	YAWRUWIZDBWSNW-BDJLRTHQSA-N	295.398	5.218	0	20	CKAD	
CCCC(CCC)[S@@](=O)[C@H]1CCc2c(Cl)cccc21	443400233	VCTHHQJLRATRSW-QFBILLFUSA-N	298.879	5.045	0	20	CKAD	
Cc1nc(C)c(CS[C@H]2CCCc3ccccc32)s1	610218152	YKIQLSYQGJIJFT-HNNXBMFYSA-N	289.469	5.071	0	20	CKAD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1ccc(C(F)F)nc1	657953814	JQHUOWHPVVKKCU-LLVKDONJSA-N	288.341	5.070	0	20	CKAD	
Cc1cncc([C@H](C)N[C@H](C)c2csc3ccccc23)c1	768216487	HTEHTMOTHNZALD-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C=C1CCCCC1	788487140	CTWGJQHBERYAQJ-UHFFFAOYSA-N	299.458	5.592	0	20	CKAD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1cccc(O)c1	799716967	CEHOYBIIENZZDZ-CHWSQXEVSA-N	297.423	5.019	0	20	CKAD	
CC[C@H](N[C@@H](C)c1csc(C(C)C)n1)c1ccccc1	90048735	JCLFMDRJGJBEOU-ZFWWWQNUSA-N	288.460	5.068	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1cccs1)c1cccc(F)c1	166551546	ZFBPQSPIOWTNLM-HUUCEWRRSA-N	277.408	5.079	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccc1OC(C)C)c1ccccc1	315677799	RDVHBOAOOXRQIQ-VQIMIIECSA-N	297.442	5.276	0	20	CKAD	
Cc1nc(CSCc2ccc(C(F)F)cc2)c(C)s1	460779351	CVNNRSUYIKIJJQ-UHFFFAOYSA-N	299.411	5.131	0	20	CKAD	
C/C(=C/c1cccc(-c2ccccc2C)c1)c1cnccn1	478337876	MQKNOTPDPAYGNW-VBKFSLOCSA-N	286.378	5.013	0	20	CKAD	
CSc1ccc(CN[C@H](c2ccccc2C)C(C)C)cc1	482189391	WZSGMJYBXRVYAT-IBGZPJMESA-N	299.483	5.204	0	20	CKAD	
Cc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1ccoc1	531972754	GUOZHTCMWXPAOE-MAUKXSAKSA-N	271.404	5.026	0	20	CKAD	
Cc1cc(N2CCCC[C@H]2C)ccc1N[C@H](C)c1ccco1	538641060	XCHPDVRHPSJKCK-HZPDHXFCSA-N	298.430	5.140	0	20	CKAD	
Cc1cnc([C@@H](C)Sc2ccc(-c3ccccc3)cc2)o1	539999625	UAKAPMMCGILMGU-CQSZACIVSA-N	295.407	5.503	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CC(C)C	589853900	HWBWFNCKNCRVSS-AWEZNQCLSA-N	275.436	5.129	0	20	CKAD	
CCc1c([C@@H](C)N[C@@H](C)c2ccc[nH]2)oc2ccc(C)cc12	776171780	PYEHAAZAWAFCSJ-UONOGXRCSA-N	296.414	5.044	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1occc1C(C)C	284052808	XYLXAGHTVIUTQO-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc3ccccc3o1)CC2	318930287	OVISVEQTONYVFN-KBXCAEBGSA-N	291.394	5.079	0	20	CKAD	
c1ccc(C(N[C@@H]2CCc3ccccc32)c2ccccc2)cc1	319803552	JLEYKAOKPACRCS-OAQYLSRUSA-N	299.417	5.053	0	20	CKAD	
CC(F)(F)c1cccc(NCc2ccc(C(F)F)cc2)c1	475085727	GBDKPOHZTIEMSZ-UHFFFAOYSA-N	297.295	5.348	0	20	CKAD	
CO[C@H](C)c1nc(CSCCCC2CCCC2)cs1	480422454	UJZXPVVLYXTVIA-GFCCVEGCSA-N	299.505	5.054	0	20	CKAD	
CSc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1	517548397	PDEJLOATPHZBDN-LJQANCHMSA-N	297.467	5.040	0	20	CKAD	
Cc1ccccc1[C@@H](C)CC(=O)Nc1ccccc1C(C)C	604694686	SPJCDCJGSABKRE-INIZCTEOSA-N	295.426	5.251	0	20	CKAD	
CCc1ccc(/C=C(/Cl)c2nc3ccccc3o2)s1	731156770	LOVZTXVFGGWRQR-FMIVXFBMSA-N	289.787	5.189	0	20	CKAD	
Cc1cccc([C@H]2CCCN2C(=O)C2CCCCCCC2)c1	741673283	QYDGEIPPJIFXMZ-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
C[C@H](SCc1cccc(Cl)n1)c1cc(F)ccc1F	743248627	KWVYLWOEVHWDBA-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CCC(CC)(CC)S[C@@H]1CCO[C@H](c2ccncc2)C1	863325800	GDJFZIGXQPECMS-CVEARBPZSA-N	293.476	5.004	0	20	CKAD	
CC(C)c1csc(/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)n1	83015426	MGEVMSFGBZDXON-GTTHROJTSA-N	298.411	5.047	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CC(C)(C)C	303089840	CTXDEOHDOITOJT-UHFFFAOYSA-N	293.476	5.260	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(SC(F)F)cc2)cs1	381476639	MTBGQCRBMFXHIP-SNVBAGLBSA-N	299.411	5.544	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H]1CCCc2sccc21)C1CC1	468048186	FOWWXKUBHVTLFF-IEBWSBKVSA-N	297.467	5.175	0	20	CKAD	
Cc1cccc([C@@H](N[C@@H](C)c2ccoc2)C(C)(C)C)c1	531721528	JWNMVYYQCLPBTC-WMLDXEAASA-N	271.404	5.026	0	20	CKAD	
Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1	815619334	KDTZIEWRTAKCSU-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cccc(F)c1)c1ccccc1	20563417	LODGELSSKSCRKJ-KSSFIOAISA-N	271.379	5.018	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2ccc(Cl)s2)cc1	130354327	UYILTAMSZRUNRT-NSHDSACASA-N	295.835	5.111	0	20	CKAD	
Cc1nc(-c2cccc(N[C@@H](C)c3ccccc3)c2)oc1C	179614633	BDBOMKODYFOJKU-AWEZNQCLSA-N	292.382	5.132	0	20	CKAD	
CCCCN(C(=O)c1coc2ccccc12)C1CCCCC1	499460288	FXSZOXWNZAJHFT-UHFFFAOYSA-N	299.414	5.008	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1CCCC[C@H]1C	518876621	OVQFOKJNDPVMLX-ZBFHGGJFSA-N	287.447	5.273	0	20	CKAD	
C[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1ccsc1	669851248	YTFBCOIRETWTGW-ZBEGNZNMSA-N	291.847	5.130	0	20	CKAD	
Cc1cc(F)ccc1CN[C@H](C)c1csc2ccccc12	730018868	BISDZWCDRXQQHZ-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2csc3ccccc23)c(C)c1	730019043	DHEUWHVSTGPATE-HNNXBMFYSA-N	295.451	5.369	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1ccnc(Cl)c1	777602144	IJDMXZAUQGISLT-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
CCCCNC(=S)Nc1ccc(C(C)C)cc1C(C)C	915121685	CMIBWLRIOPTYQA-UHFFFAOYSA-N	292.492	5.020	0	20	CKAD	
CC(C)c1ccccc1NC(=O)/C=C\c1cccc(Cl)c1	97986611	FFVKGUSPRSNQEH-KHPPLWFESA-N	299.801	5.115	0	20	CKAD	
C[C@H]1C[C@@H](N[C@@H](C)c2ccccc2)c2ccsc2S1	130183513	DKNJMUJBCOWHPC-SLEUVZQESA-N	289.469	5.024	0	20	CKAD	
FC(F)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	386194896	CRFCJCFVXDHWFC-JQWIXIFHSA-N	293.279	5.157	0	20	CKAD	
Cc1cc(F)ccc1-c1ccc(CNc2ccccc2)o1	462677006	IIMLLQUTUCFZAA-UHFFFAOYSA-N	281.330	5.006	0	20	CKAD	
CCC[C@H](Nc1ccc(F)c(C2CC2)c1)c1cccnc1	467440045	PQJIOURJASPKLI-SFHVURJKSA-N	284.378	5.051	0	20	CKAD	
c1ccc2ncc(CNc3ccc(C4CCC4)cc3)cc2c1	487174852	RIAUXVZRVIOLQY-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)C(C)C)c(C)c1	498051599	CLWNDNWWYIMBNC-KBPBESRZSA-N	293.476	5.116	0	20	CKAD	
Fc1ccc2oc(Oc3cc(Cl)ccc3Cl)nc2c1	511658762	LTHAQHUBKCKRSM-UHFFFAOYSA-N	298.100	5.066	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2cccc(C3CCC3)c2)c(C)c1	540604097	OVCHXKJCBYRZFE-UHFFFAOYSA-N	293.410	5.132	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1	540707894	FPMPCKVIRFLRMB-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
C[C@H](Nc1ccc(-c2ccccn2)cc1)c1ccccc1F	577431996	IPNALKIMFHWEHY-AWEZNQCLSA-N	292.357	5.061	0	20	CKAD	
CC(F)(F)CCC(=O)Oc1ccc(C2CCCCC2)cc1	915826094	LSCAHRBUGIYPON-UHFFFAOYSA-N	296.357	5.075	0	20	CKAD	
CC[C@@H](Nc1ccc(OC(C)C)cc1)c1ccccc1	20472923	JTOQCZLBBRLZTF-GOSISDBHSA-N	269.388	5.037	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)oc1C)c1ccc(C)cc1	37048238	XTPZIIWAGNXXMB-KBXCAEBGSA-N	271.404	5.007	0	20	CKAD	
CC(C)c1ccc(OCc2coc(-c3cccs3)n2)cc1	253607713	VAZPUCOOWHTMCO-UHFFFAOYSA-N	299.395	5.106	0	20	CKAD	
Cc1sccc1CN[C@@H](C)c1cccc2ccccc12	312665472	LCYIKJBVSDZGCM-ZDUSSCGKSA-N	281.424	5.061	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccsc1	382115831	LRJKATCQGRYUEN-XHDPSFHLSA-N	279.474	5.228	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)c1	386285186	PEXBGBPPOUWWAM-SJORKVTESA-N	289.422	5.560	0	20	CKAD	
CCCCN(C(=O)Nc1ccc(C)s1)C1CCCCC1	440774526	YATWZZSPFPPGLI-UHFFFAOYSA-N	294.464	5.023	0	20	CKAD	
C[C@H](SCc1ccc(F)cc1)c1ncc(C(C)(C)C)o1	443188900	IFCBTWDSSBBFGQ-NSHDSACASA-N	293.407	5.106	0	20	CKAD	
CC(C)C[C@@H](NCc1ccsc1Cl)c1cccs1	480662015	LIKZHXLSTGDGCD-GFCCVEGCSA-N	299.892	5.340	0	20	CKAD	
Cc1ccsc1CN[C@@H](c1ccccc1)C1CCCC1	517549940	DYTLOODNNUSIRD-SFHVURJKSA-N	285.456	5.078	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccccc1F	531705782	TUMNJKWVCHKNER-AUUYWEPGSA-N	283.390	5.018	0	20	CKAD	
CC[C@H](Nc1cccc(CSC)c1)c1cccs1	537533490	LYUQNYDHAUHUKZ-AWEZNQCLSA-N	277.458	5.174	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H]2CCc3ccc(Cl)cc32)o1	544084541	GLQHFEGMZVXCPE-IINYFYTJSA-N	293.819	5.118	0	20	CKAD	
Cc1cc(CNc2ccc(CCC(F)(F)F)cc2)c(C)o1	767373058	MLLIXJMOINDENL-UHFFFAOYSA-N	297.320	5.003	0	20	CKAD	
CC(C(=O)Nc1c(C(C)C)cccc1C(C)C)=C1CCC1	825379627	RAJBRGLNPMFYJZ-UHFFFAOYSA-N	285.431	5.372	0	20	CKAD	
CCCCCc1ccc(Br)cc1CCC	1875251972	RYDZJBXVBYFBMT-UHFFFAOYSA-N	269.226	5.134	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccccc2Cl)cc1	21059268	LWBKUXAAQXJJEH-UONOGXRCSA-N	273.807	5.060	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](CC(C)C)c2ccccc2)o1	36960037	SKBBTPKWLVOQQT-NVXWUHKLSA-N	271.404	5.026	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1	70091016	JQXGQROBRLPCGT-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
Cc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)cc1F	110975620	XYARMNVNXCGEQS-GOSISDBHSA-N	285.406	5.011	0	20	CKAD	
C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)c1cccc(O)c1	385996070	LFYGGEZHMMSQOU-HNAYVOBHSA-N	297.442	5.220	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)c(C)o1	386768607	HEPVJUFLSYCEJA-KGLIPLIRSA-N	297.398	5.363	0	20	CKAD	
CCOCCCS[C@@H](C)c1ccc2ccccc2c1	437267431	IYKVJRILCMJWSA-AWEZNQCLSA-N	274.429	5.061	0	20	CKAD	
Cc1cccnc1[C@H](N[C@@H](C)c1cccc(C)c1C)C(C)C	483154706	LABATTGHFFVUQG-PKOBYXMFSA-N	296.458	5.055	0	20	CKAD	
ClC1(Cl)C[C@H]1CNc1cccc(-c2cccs2)c1	725795999	MRJMOHPVXNWCNV-NSHDSACASA-N	298.238	5.021	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)C1CC1	788481172	FJPSADYJWBWUGG-CQSZACIVSA-N	287.447	5.137	0	20	CKAD	
CC(C)[C@H](NCc1ccc(Cl)s1)c1ccc(F)cc1	35046608	DIXNVOSJQJSIEV-HNNXBMFYSA-N	297.826	5.028	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1	37075144	RLBPUOBZLNRNQY-FZKQIMNGSA-N	285.818	5.142	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)cc2)s1	41631760	SUHDUXWZKQSEDI-UONOGXRCSA-N	273.445	5.031	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2occc21)c1ccc2ccccc2c1	386240877	SMBGWCBRPNWVGM-AUUYWEPGSA-N	291.394	5.161	0	20	CKAD	
c1ccc2c(CNc3cccc4ccsc34)cncc2c1	386244145	PPAPVLCYCVFQQK-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
C[C@H](NCc1ccc(C2CC2)cc1)c1csc(Cl)c1	477868364	VIAOPOXLUYAAGB-NSHDSACASA-N	291.847	5.130	0	20	CKAD	
Cc1cccc(C)c1[C@@H](C)N[C@@H]1CCSc2ccccc21	546934266	VJXABCLADRRZQT-NVXWUHKLSA-N	297.467	5.191	0	20	CKAD	
CC[C@H](N[C@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376064	DCDHLVYIWJXVCQ-VQTJNVASSA-N	297.417	5.408	0	20	CKAD	
Cc1cccc([C@@H](C)SC2=Nc3ccccc3C2)c1	742453719	INNLTOWJSFIHAF-CYBMUJFWSA-N	267.397	5.076	0	20	CKAD	
CCc1ccc([C@H](CC)N[C@H](C)c2ccsc2)cc1	61361144	CVNDRYMXBMSBAP-DYVFJYSZSA-N	273.445	5.112	0	20	CKAD	
c1ccc(SCc2csc(C3CCCC3)n2)cc1	64023451	GALPKGGRLYDPHF-UHFFFAOYSA-N	275.442	5.093	0	20	CKAD	
C=CC(=O)N(C[C@@H](CC)CCCC)C[C@H](CC)CCCC	137685634	WUGBLGVVAAUSET-HDICACEKSA-N	295.511	5.434	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sccc21)c1csc(Cl)c1	191504950	BXVJMJRXSJNXCU-JOYOIKCWSA-N	297.876	5.191	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1cc2ccccc2o1	386130460	DYDNBJXZQVCDFW-NSHDSACASA-N	287.309	5.544	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)C2(C)CCC2)c(C)c1	427661615	DKGMPSCIPLUNLG-CYBMUJFWSA-N	291.460	5.014	0	20	CKAD	
CCC[C@H](Nc1ccc2cnn(CC)c2c1)c1ccsc1	443100338	FKQWJLPRBBZYHW-INIZCTEOSA-N	299.443	5.071	0	20	CKAD	
Cc1cccc(S[C@@H](C)c2ncc(C(C)(C)C)o2)c1	476485619	AEAZHLOKGPWREL-LBPRGKRZSA-N	275.417	5.134	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1cccs1	479496146	AHTMIZMYMVNSMP-HZPDHXFCSA-N	289.419	5.006	0	20	CKAD	
c1cncc([C@@H](Nc2csc3ccccc23)C2CCC2)c1	482011135	XSRPEAJPCINKIW-SFHVURJKSA-N	294.423	5.250	0	20	CKAD	
C[C@H](SCc1ccc(Cl)cn1)c1ccc(F)c(F)c1	554188940	YDQCWGGLNSTIPW-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
Cc1ncsc1CS[C@H](C)c1ccccc1Cl	562039280	YSGRFSSIXDQCJU-SNVBAGLBSA-N	283.849	5.099	0	20	CKAD	
CCc1ccc(CN[C@H](CC(C)C)c2cccs2)s1	595626621	SGEUQJDXXLLTKA-OAHLLOKOSA-N	293.501	5.249	0	20	CKAD	
Cc1cc2cc([C@H](C)N[C@H](C)c3ccsc3)oc2cc1C	669851107	VDCLBXMXPGMGTO-KGLIPLIRSA-N	299.439	5.523	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2csc3ccccc23)cc1F	731451850	IJZNBFOLSMVKLI-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
Cc1ccccc1[C@@H]1CCCN1C(=O)C1CCCCCCC1	741671869	CKCQZHIZGFWESU-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CC(C)c1cnc(CSCc2cc(F)ccc2Cl)o1	783581671	AILXUUFJBNBTFD-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
CC[C@H](Nc1ccc(OC)c(F)c1)c1ccc(Cl)cc1	37290371	HWCGZTPCLFCQPC-HNNXBMFYSA-N	293.769	5.051	0	20	CKAD	
Cc1nnc([C@H](C)S[C@@H](C)c2ccc3ccccc3c2)o1	125325124	SJTNONSYXHWRBN-RYUDHWBXSA-N	298.411	5.087	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(C(F)F)cc2)c(C)s1	131348243	CARDOZKGZALKAB-NSHDSACASA-N	295.398	5.153	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@H](C)c1ccccc1Cl	163218391	WFBWTIQUOJIOKQ-WDEREUQCSA-N	293.760	5.112	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H](C)c1ccccc1Cl	163218502	WFBWTIQUOJIOKQ-GHMZBOCLSA-N	293.760	5.112	0	20	CKAD	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(Cl)s2)c2ccccc21	311708969	NFYFAAHNOOLVON-GYSYKLTISA-N	291.847	5.301	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)c1	315254825	WHQTYZFZRYTKIE-IAGOWNOFSA-N	297.442	5.194	0	20	CKAD	
CC[C@H](Nc1ccc(C(C)C)cc1)c1ccsc1	382122055	MYLOIANFLNBHQB-INIZCTEOSA-N	259.418	5.435	0	20	CKAD	
Cc1ccoc1CN[C@H](c1cc2ccccc2o1)C(C)(C)C	426309676	HPKRPRPPXJMEEP-GOSISDBHSA-N	297.398	5.211	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@@H](C)c2nccs2)cc1	448023812	VDIGGTXSKVDAGR-LBPRGKRZSA-N	274.433	5.004	0	20	CKAD	
CC[C@@H](C)[C@@H](NCc1ccc(C)o1)c1ccc(Cl)cc1	462755063	TVLWAYZFVIWGDR-SJKOYZFVSA-N	291.822	5.118	0	20	CKAD	
C[C@@H](CC(=O)Nc1cccc(C(F)F)c1)C1CCCCC1	505983807	DIHMHHCKCSJKMF-LBPRGKRZSA-N	295.373	5.169	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1cccc(F)c1	531705427	GNMHNOVHTJGWRQ-LIRRHRJNSA-N	283.390	5.018	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1cc(C)ccn1)c1ccccc1	552037704	DYUPIQLWQUISMK-UZLBHIALSA-N	296.458	5.218	0	20	CKAD	
C[C@@H](SCc1ccccc1)c1ncc(-c2ccccc2)o1	609831261	PFYQBOQFDUEMAB-CQSZACIVSA-N	295.407	5.336	0	20	CKAD	
CCCCCCC(=O)N[C@@H](C)c1csc2ccccc12	729958524	GXHWTAXFDMUAQT-ZDUSSCGKSA-N	289.444	5.049	0	20	CKAD	
Cc1ccc(CN[C@@H](CC(C)(C)C)c2ccccc2)s1	37128426	WYNOWPAXTUYWEY-KRWDZBQOSA-N	287.472	5.324	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccc(Cl)cc2)C2CC2)o1	37280670	QEYBGBZQHVZXMY-SJKOYZFVSA-N	289.806	5.043	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](C)c1ccccc1Cl	70089897	KGYZSSPFSHBAFC-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)NCc2cccc(C(F)F)c2)c1	470759058	AYXBCVPRZOBUEK-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
C[C@H](S[C@H](C)c1cccs1)c1ncc(C(C)(C)C)o1	747810815	YIDXDELVRAKLLY-MNOVXSKESA-N	295.473	5.589	0	20	CKAD	
Cc1cc(N[C@@H](C)c2ccsc2)ccc1OC(C)C	777701338	DNAHBUMLEQDLII-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
C[C@@H]1C[C@H]1c1ccc(CNc2ccccc2NC(C)(C)C)o1	798500407	NSEBFHCVLWDQGR-UKRRQHHQSA-N	298.430	5.226	0	20	CKAD	
C[C@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)c1ccco1	883365336	YVZZDROWOULBGR-ZANVPECISA-N	287.256	5.026	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(Cl)c2)s1	20562801	UWMNSDCYRSHWJT-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2Cl)cc1	21059264	LWBKUXAAQXJJEH-ZIAGYGMSSA-N	273.807	5.060	0	20	CKAD	
Cc1nc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)cs1	36915343	IYHIFTFVVLRKEX-QWHCGFSZSA-N	296.439	5.017	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1cncs1)c1ccccc1	164051122	OUCVVABRJPTABW-HOCLYGCPSA-N	288.460	5.115	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C=C1CCC(C)CC1	303505770	AKPPUENNLGQLFK-UHFFFAOYSA-N	285.431	5.193	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(OC(C)(C)C)cc1)c1ccccc1	462805337	DSICSEMSRRUMBS-HOTGVXAUSA-N	297.442	5.276	0	20	CKAD	
Cc1cccc(N(C)C(=O)Nc2c(C)cccc2C(C)C)c1	573217451	GHKWPLNLTNJQOG-UHFFFAOYSA-N	296.414	5.095	0	20	CKAD	
CCN(Cc1ccoc1)[C@H](C)c1cccc2ccccc12	588236476	AFXCLJJSYVWGJJ-OAHLLOKOSA-N	279.383	5.016	0	20	CKAD	
C/C(=C/C(C)(C)C)C(=O)Nc1c(C)cccc1C(C)C	588504050	KTRNJGTXEYEWDU-KAMYIIQDSA-N	273.420	5.049	0	20	CKAD	
Cc1ccc(C2CC2)c(C(=O)Nc2cccc(C(C)C)c2)c1	622281329	ZUIZZCIYOZKRGB-UHFFFAOYSA-N	293.410	5.248	0	20	CKAD	
Cc1nc([C@@H](C)Nc2ccc(C3CCC3)cc2)c(C)s1	683821555	ISCDWYCCIODGKU-LLVKDONJSA-N	286.444	5.201	0	20	CKAD	
C[C@@H](SCc1ccc2ccccc2n1)c1cccs1	737403540	DTYAFBQUFMSJBD-GFCCVEGCSA-N	285.437	5.291	0	20	CKAD	
C/C=C(/C=C/C(=O)Nc1ccccc1-c1ccccc1)CC	764625033	JVMUWAIVGAISNP-MXRSCYCQSA-N	291.394	5.205	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C1/CC[C@H](C)C1	788486992	APBOCAOJZVLKGG-WSTOHFRZSA-N	299.458	5.447	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1	36967383	UHEWMQBIEWYGMZ-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3s2)o1	121990400	DGAGUEMXKITEQV-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
Clc1ccc([C@H](CC2CC2)NCc2ccsc2)cc1	469230018	SBVOHXZOKYPJQN-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)C2CCCC2)c(C)c1	499732499	PMOGQVWHYPNTRC-CYBMUJFWSA-N	291.460	5.014	0	20	CKAD	
CC1(C)CCC(CC(=O)N2[C@H]3CC[C@H]2c2ccccc23)CC1	505579641	TUTWTGJERQCUAZ-ROUUACIJSA-N	297.442	5.011	0	20	CKAD	
FC(F)(F)c1ccc(CSc2cccs2)cc1	521906787	XVKDJHDCCQFDMS-UHFFFAOYSA-N	274.332	5.059	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H]2CCCCc3ccccc32)o1	552649425	ZUPAWDOBSMTPKU-BBRMVZONSA-N	287.428	5.245	0	20	CKAD	
Cc1ccsc1CN[C@H](C)c1ccc(F)c2ccccc12	559738462	FFXBSYNLLRJICX-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
CC(C)C[C@@H](NCc1ccc(Cl)cc1)c1cccs1	559861026	SZRKRQDIYHECAQ-OAHLLOKOSA-N	293.863	5.279	0	20	CKAD	
CCC[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1	583098248	IXTKPVDVQCNDRR-QUCCMNQESA-N	295.426	5.144	0	20	CKAD	
CC(C)c1cnc(CS[C@@H](C)c2ccccc2Cl)o1	733208324	VWPCHMCIBJPJOG-NSHDSACASA-N	295.835	5.446	0	20	CKAD	
C[C@H](Nc1cc2ccccc2c(Cl)n1)c1ccccc1	16310968	UAWUWUGFSHQPKI-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H]2CCc3ccc(C)cc32)cc1	98005611	RDWMYVJAEZWWQT-IFXJQAMLSA-N	297.467	5.055	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1ccc(Cl)cc1	386167226	MEDTZJLHQBVFOO-JTQLQIEISA-N	281.733	5.451	0	20	CKAD	
FC(F)(F)Cc1ccccc1NCc1ccc(Cl)cc1	462170384	KAJTWOQXPNNUAV-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
Cc1c([C@@H](C)Nc2ccc(C(C)(C)C)cc2)cnn1C(C)C	468938735	LCANONPTWXGMDB-CQSZACIVSA-N	299.462	5.243	0	20	CKAD	
CC(C)c1nc([C@@H](C)Nc2cccc(Cl)c2)cs1	469784959	DWJAEKOIIWPXAI-SNVBAGLBSA-N	280.824	5.093	0	20	CKAD	
CCC(C)(C)N(C)C(=O)N(c1ccccc1)c1ccccc1	530379434	CJLYLGOOQYJQNM-UHFFFAOYSA-N	296.414	5.065	0	20	CKAD	
Cc1cccc(C)c1[C@H](C)N[C@H]1CCCc2sccc21	544898387	SIISWPISIPZVII-HOCLYGCPSA-N	285.456	5.093	0	20	CKAD	
Cc1ccc(CNCc2cccc(-c3ccccc3)c2)s1	614329323	BMSWMIZXMPPGSH-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
COCc1ccc(SCc2cccc(C(F)F)c2)cc1	684533199	AQGKCRLJZUGCJQ-UHFFFAOYSA-N	294.366	5.063	0	20	CKAD	
CCCC[C@H](C)N(CCCC)C(=S)Nc1ccccc1	840761678	ZXUKSOZMLVQEDF-HNNXBMFYSA-N	292.492	5.064	0	20	CKAD	
CCC/C=C/C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1	920744048	KPASILYJBKBGOJ-CUXKMMBLSA-N	299.414	5.089	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2csc(C(C)C)n2)s1	90049063	ZQVUPULZFQINEF-NEPJUHHUSA-N	294.489	5.048	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1cc(F)cc(F)c1)c1ccccc1	94826590	XDLIYZQPFCCQTA-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)CC	189972312	LFROGEWKEWMFLM-CQSZACIVSA-N	290.451	5.025	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc2ccccc2n1)c1ccccc1	414227226	VZBRGEGTKGBRAX-MAUKXSAKSA-N	290.410	5.037	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccsc1	443097418	YAWRUWIZDBWSNW-MEDUHNTESA-N	295.398	5.218	0	20	CKAD	
Cc1ccc(CNc2ccc(CC(F)(F)F)cc2)c(C)c1	462731353	NAWZGVBKJZVKIA-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@@H](C)c1cccs1)C(C)C	483115298	UPHNSJXOGQPEBM-YOEHRIQHSA-N	273.445	5.104	0	20	CKAD	
CC[C@H](CC1CCCC1)C(=O)Nc1cc(F)ccc1Cl	522250989	MSSGKQJYUQFJHO-GFCCVEGCSA-N	297.801	5.024	0	20	CKAD	
C[C@H](SCc1ccc2ccccc2n1)c1ccccc1	524242987	RHHKIWQSMQLFEG-AWEZNQCLSA-N	279.408	5.229	0	20	CKAD	
C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1cccs1	556609440	OGGHUYUSKIXPKR-GFCCVEGCSA-N	291.847	5.132	0	20	CKAD	
C[C@H](Nc1ccc(Oc2cccnc2)cc1)c1ccccc1	566879080	AFRDRTDSDNNPDV-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
Cc1noc([C@H](C)S[C@@H](C)c2ccc(C(C)C)cc2)n1	612018723	WPENFQMBJZGQPP-RYUDHWBXSA-N	290.432	5.057	0	20	CKAD	
CCCC[C@H](CCC)N[C@H](C)c1ccc(C(F)F)nc1	657900972	OPZOGPYJQJNNAP-OCCSQVGLSA-N	284.394	5.029	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@@H](C)c3ccc(C)s3)oc2c1	756029407	BBOITWFKKRNDNL-KBPBESRZSA-N	299.439	5.523	0	20	CKAD	
C[C@H](N[C@@H]1CCc2cccc3cccc1c23)c1ccccc1	887572945	HKNOWTPCMUFHOR-MGPUTAFESA-N	287.406	5.178	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)s1	36992239	CFCZBDYWQZSLLI-NXEZZACHSA-N	285.865	5.183	0	20	CKAD	
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)s2)s1	38527213	YKCVIEVEPURAPU-UHFFFAOYSA-N	278.486	6.072	0	20	CKAD	
Clc1cccc(CSc2ccc3ccccc3c2)n1	91436694	VOVNKPRZBFOENF-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)sc1C)c1ccsc1	382115829	LRJKATCQGRYUEN-IAQYHMDHSA-N	279.474	5.228	0	20	CKAD	
CCO[C@H](C)c1nc(-c2csc3ccccc23)cs1	477258114	IXUYLEWDMRIZMJ-SNVBAGLBSA-N	289.425	5.122	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)oc1C)c1ccc(Cl)s1	481955164	FCZAWCJNYDAOFJ-GWCFXTLKSA-N	297.851	5.413	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCCC1)c1cccs1	532492249	KHQGWUSUTHESKA-KBXCAEBGSA-N	285.456	5.330	0	20	CKAD	
Cc1oc(-c2ccsc2)nc1CSC1CCCCC1	608845700	XHTQZPKYECLHNR-UHFFFAOYSA-N	293.457	5.277	0	20	CKAD	
CC/C(=C\C(=O)Nc1c(C)cccc1C)c1ccc(C)cc1	741515337	VRLSUSVLKBPUNU-GHRIWEEISA-N	293.410	5.044	0	20	CKAD	
CC(C)c1cnc(CS[C@H](C)c2ccc(F)cc2F)o1	754250533	XVUSWYBVKGGPBX-SNVBAGLBSA-N	297.370	5.071	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cccc(F)c2Cl)c(C)s1	166344592	ONYZZKOWNMNSRX-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2ccc(N3CCCCC3)cc2)c1	315608586	UVEKIIFUKCHOHG-QGZVFWFLSA-N	294.442	5.158	0	20	CKAD	
Cc1csc(CN[C@H](C)c2cccc3ccccc23)c1	379138506	ROSKPQQEYWOEGP-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2c(F)cccc2Cl)c(C)o1	380279606	BNKRMYGDWXWFDQ-MNOVXSKESA-N	295.785	5.101	0	20	CKAD	
Cc1ccccc1[C@H](C)S[C@@H](C)c1nc(C(C)C)no1	480387152	KVDXPIMPWHSYSM-STQMWFEESA-N	290.432	5.057	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)oc1C	502459101	ZNBIESMLKYDQOF-QWRGUYRKSA-N	295.785	5.101	0	20	CKAD	
C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc(F)cc1	608374719	FLXURHGAQUPLPQ-NSHDSACASA-N	297.295	5.104	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc(C(F)F)nc2)c(Cl)c1	657965279	UYCRBXQAOBHQIE-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
CCCCC[C@H](C)CC(=O)N1CCC[C@H]1c1cccs1	742482308	HEUDNIBWSTXVFY-GJZGRUSLSA-N	293.476	5.018	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1ccc(Nc2ccccc2)cc1	920284415	KXDUWHIAPDHKKW-PFONDFGASA-N	294.398	5.115	0	20	CKAD	
CSc1cc(Cl)c(OCc2ccccc2)c(Cl)c1	1975731318	RCMLYVXHQOPHNS-UHFFFAOYSA-N	299.222	5.294	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)oc1C)c1ccc(C)cc1	37048239	XTPZIIWAGNXXMB-KDOFPFPSSA-N	271.404	5.007	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H]2CCCc3sccc32)s1	61360302	RRFYIBULIJOJLS-RISCZKNCSA-N	291.485	5.100	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1csc(C)c1)c1ccc(Cl)cc1	381374188	NKZFQIGPRUZTQD-BLLLJJGKSA-N	293.863	5.512	0	20	CKAD	
C[C@@H](SCc1cccc(F)c1)c1ncc(C(C)(C)C)o1	443197160	KMOPDXGHYQJNFG-LLVKDONJSA-N	293.407	5.106	0	20	CKAD	
Cc1cccc(SCc2csc(-c3ccoc3)n2)c1	517448894	MPQKMHMQXYGRPK-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](CCC)c2ccccn2)cc1	562060366	XFOMYBLEDBTZHC-BHSUKZTGSA-N	266.388	5.068	0	20	CKAD	
CSc1cccc(N[C@H](C)c2ccccc2F)c1C	630058337	AASKGVDEZMPJSZ-GFCCVEGCSA-N	275.392	5.029	0	20	CKAD	
CC[C@H](NCc1cc2ccccc2[nH]1)c1cccc(Cl)c1	673627711	SKGUAZRCYJEXPH-KRWDZBQOSA-N	298.817	5.062	0	20	CKAD	
C[C@H](SCc1ccc(Cl)nc1)c1ccc(Cl)cc1	745018722	DXAQLZGDTPETJL-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CC(C)(C(=O)N1[C@H]2CC[C@H]1c1ccccc12)C1CCCCC1	766467403	FHOJWLYUYUGRIW-ROUUACIJSA-N	297.442	5.011	0	20	CKAD	
CC[C@@H](Nc1ccc(COC)cc1)c1ccc(Cl)s1	774484112	OCMQNGMVYYYXGN-CYBMUJFWSA-N	295.835	5.111	0	20	CKAD	
C[C@@H](N[C@@H]1CCc2cccc3cccc1c23)c1ccccc1	887572944	HKNOWTPCMUFHOR-FOIQADDNSA-N	287.406	5.178	0	20	CKAD	
CC(C)c1ccc(NC(=O)Cc2ccccc2)c(C(C)C)c1	27139090	OBFVHUAOLHHWDT-UHFFFAOYSA-N	295.426	5.115	0	20	CKAD	
FC(F)(F)c1cc(NCc2cccs2)ccc1Cl	36719980	MVBZVYDHOITIGB-UHFFFAOYSA-N	291.725	5.032	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2)cc1	37770571	GLYDJTYXZHPDCV-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cc(Cl)cc(Cl)c2)c(C)o1	44729993	MOVVLDRUANWRNY-SNVBAGLBSA-N	298.213	5.054	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sc(Cl)cc21)c1ccsc1	128271746	ZWCLBYYGNINIFZ-JOYOIKCWSA-N	297.876	5.191	0	20	CKAD	
FC1(F)CCCC[C@H]1CNc1ccc2ccccc2c1	381598453	FYKQYSYDPWSTCB-HNNXBMFYSA-N	275.342	5.077	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(C(C)C)cc2)cs1	381615899	QGAPHXHTNORCKY-CYBMUJFWSA-N	259.418	5.353	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccccc2OC(C)C)c1	386096263	NYRYANYYLRWBCQ-IRXDYDNUSA-N	297.442	5.194	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCc3ccc(C(C)C)cc32)o1	427871086	HSMLLMVCNRIGLG-KDOFPFPSSA-N	283.415	5.050	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1csc(C)c1	453203246	AAAYXVYUVNHKJZ-STQMWFEESA-N	291.485	5.190	0	20	CKAD	
Cc1cccc(CSCc2ncc(-c3ccccc3)o2)c1	500273907	ACEWALHBYYHEJS-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
CCCc1nc(CSc2ccccc2Cl)cs1	501538783	RYANTDUBEOBTRW-UHFFFAOYSA-N	283.849	5.041	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1	531960818	VVZGEKVZWWTBHA-KGLIPLIRSA-N	289.444	5.112	0	20	CKAD	
C[C@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(C2CC2)c1	550700794	NXYDQYLSOSPLQZ-RBZFPXEDSA-N	295.401	5.041	0	20	CKAD	
C[C@H](Nc1cccc2cc[nH]c12)c1cc2ccccc2o1	579060198	UBVFPOHQSYMQFR-LBPRGKRZSA-N	276.339	5.087	0	20	CKAD	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CC1CC1	726762375	GHOQFZAVSOMGBX-UHFFFAOYSA-N	299.801	5.054	0	20	CKAD	
Cl/C(=C/c1sccc1Cl)c1nc2ccccc2o1	782313493	OCXHGPSVPHNJCT-VQHVLOKHSA-N	296.178	5.280	0	20	CKAD	
COc1ccc2cc(N[C@@H](C)c3ccsc3)ccc2c1	797017624	BRIFUOIZQLTNPG-LBPRGKRZSA-N	283.396	5.083	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1cccc(F)c1)c1ccc(F)cc1	36968299	VQCXFNQIECOJPC-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2sccc2C)cc1	70090751	YAQORCWMRPPFCO-CHWSQXEVSA-N	291.485	5.190	0	20	CKAD	
Cc1cccc([C@@H](C)SCc2cc(-c3ccco3)on2)c1	437292270	UYQILCZFCQNAHP-CYBMUJFWSA-N	299.395	5.237	0	20	CKAD	
CC(C)[C@H]1C[C@@H](N[C@H](C)c2cccs2)c2ccccc21	448024097	WMJCTBIMUMZFMG-KBRIMQKVSA-N	285.456	5.283	0	20	CKAD	
CCSc1cccc(CN[C@H](C)c2ccc(C)s2)c1	472047596	LOJHBWNEZLGHIW-CYBMUJFWSA-N	291.485	5.019	0	20	CKAD	
CCC[C@@H](CC)S[C@@H](C)c1nnc(-c2ccccc2)o1	477043650	AEGWQQNJBDEZBA-GXTWGEPZSA-N	290.432	5.110	0	20	CKAD	
CCSc1cccc(N[C@@H](c2cccnc2)C2CCC2)c1	481992111	OBJRBRNXDQTLGJ-GOSISDBHSA-N	298.455	5.147	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@H](CC(C)C)c1ccccc1C	538986747	GPOFLIFGDJMYED-FXAWDEMLSA-N	296.458	5.136	0	20	CKAD	
CCCCCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1	605113578	NLBBSBIKWVBSQQ-GOSISDBHSA-N	287.447	5.019	0	20	CKAD	
CC(C)c1ccc(CS[C@@H](C)c2ccncc2)cc1	609782822	ZQYRASUINHZHFZ-AWEZNQCLSA-N	271.429	5.199	0	20	CKAD	
C[C@H](C(=O)Nc1ccccc1-c1ccccc1)C1CCCC1	674078847	PFLUTKRHLADEAV-HNNXBMFYSA-N	293.410	5.118	0	20	CKAD	
CC[C@H](N[C@@H](C)c1nccs1)c1cccc2ccccc12	886790999	UEBMASVBXXQMBX-GUYCJALGSA-N	296.439	5.098	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)ccc1C)c1cccs1	37103363	UKYFUIUOYURKMN-HOCLYGCPSA-N	273.445	5.167	0	20	CKAD	
CCC[C@H](N[C@@H](c1cccs1)C1CC1)c1ccccc1	42330501	XXROMUWFENPYNI-FUHWJXTLSA-N	285.456	5.330	0	20	CKAD	
Cc1nc(CNc2ccc(C(C)C)cc2C(C)C)oc1C	439545338	DQWXOEBVJFUTGT-UHFFFAOYSA-N	286.419	5.150	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccc1SC)c1cccs1	442787319	YEEMLTKFYKWRRB-GXTWGEPZSA-N	291.485	5.272	0	20	CKAD	
C[C@@H](SCc1cccc2cccnc12)c1ccccc1	588665869	NRSGAVGSXWEHHD-CQSZACIVSA-N	279.408	5.229	0	20	CKAD	
CC(C)n1ccc(CSCc2cccc3ccccc23)n1	609722619	ZTKXMLLZYMWKOF-UHFFFAOYSA-N	296.439	5.051	0	20	CKAD	
Cc1ccc([C@@H](N[C@@H](C)c2ccc(C)s2)C2CC2)cc1	49160743	LGFGMBYVCRFYGE-KBXCAEBGSA-N	285.456	5.167	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccsc1	50342289	DLDPVDSGIWUBBS-GHMZBOCLSA-N	299.361	5.179	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1sccc1C1CC1	301764308	PUPSWJPLBYGDKL-UHFFFAOYSA-N	285.412	5.001	0	20	CKAD	
CSc1ccccc1[C@H](C)NCc1ccc(C2CC2)cc1	442862709	VZBJPOBUTZMJAE-AWEZNQCLSA-N	297.467	5.137	0	20	CKAD	
Cc1cccc(-c2cc(Cl)ccc2NC(=O)C2CCC2)c1	484676171	GYBHGDRJGAIUMV-UHFFFAOYSA-N	299.801	5.054	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@@H](C)c2ccsc2)cc1	510926112	AXWZOKUPOLQZCV-STQMWFEESA-N	291.485	5.272	0	20	CKAD	
CC[C@H](NCc1cc(C)ccc1C)c1ccc(Cl)s1	512245361	VWNDYJPBCDWLEL-AWEZNQCLSA-N	293.863	5.259	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1cccc(F)c1	531705426	GNMHNOVHTJGWRQ-KUHUBIRLSA-N	283.390	5.018	0	20	CKAD	
CC[C@@H](NCc1cc2ccccc2s1)c1ccc(F)cc1	579764164	CXMORWPLQMRZLS-QGZVFWFLSA-N	299.414	5.281	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	748196072	YTLKYSMSYXNENS-BCNIOPEESA-N	291.460	5.180	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1	37075143	RLBPUOBZLNRNQY-SCLBCKFNSA-N	285.818	5.142	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2c(F)cccc2F)c(C)s1	37122882	UMPHQNHRDMGHEX-QWRGUYRKSA-N	295.398	5.055	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)c1	37301612	OGYIUHALRXYBKC-HUUCEWRRSA-N	279.383	5.153	0	20	CKAD	
C/C(=C/C(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC1	54851018	KIGVNHRBUZCAOK-KAMYIIQDSA-N	285.431	5.228	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cccs1)c1ccsc1	382122995	ZFSZBHAXWGYBEQ-STQMWFEESA-N	265.447	5.002	0	20	CKAD	
CCCC[C@H](NCc1ccc(C)cc1)c1ccc(OC)cc1	488493555	MRWNLQOTQHTYQS-FQEVSTJZSA-N	297.442	5.025	0	20	CKAD	
CC[C@@H](CC(=O)N(c1ccccc1)C(C)C)c1ccccc1	504347039	FDCJQOBKLHNNEX-KRWDZBQOSA-N	295.426	5.012	0	20	CKAD	
COc1cc(CSc2cccc(C)c2)ccc1SC	520996856	HFFNUKGKVBQSKV-UHFFFAOYSA-N	290.453	5.018	0	20	CKAD	
Fc1ccc(N[C@@H]2CCCNc3ccccc32)cc1C1CC1	545980821	YNXHIXALVXHRHO-LJQANCHMSA-N	296.389	5.062	0	20	CKAD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1nc2c(s1)CCCC2	679088769	CASQJHCCUQNQAI-GFCCVEGCSA-N	298.455	5.072	0	20	CKAD	
Clc1cc(CS[C@@H]2CCCc3ccccc32)ccn1	726430983	IAUZOHKHAWLKDZ-OAHLLOKOSA-N	289.831	5.046	0	20	CKAD	
CCCCCC[C@@H](C)CC(=O)Nc1c(C)cccc1C	727660053	ZNRFSEHIFCPVKO-CQSZACIVSA-N	275.436	5.239	0	20	CKAD	
C[C@@H](SCc1cccc(Cl)n1)c1ccc(Cl)cc1	743248601	JLXYZNGHXFZOFW-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CCCCC[C@H](CC)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	775754338	UWXVQCPXTAVDDR-WBAXXEDZSA-N	285.431	5.011	0	20	CKAD	
Cc1cc(Cl)ccc1CNc1ccc2occc2c1	864017629	UXPFCADGVWARHC-UHFFFAOYSA-N	271.747	5.007	0	20	CKAD	
CSc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1	35255476	SDEATGHMTGIRNL-SFHVURJKSA-N	299.483	5.286	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCCc3sc(Cl)cc32)o1	127653646	JATPNAUFPAOFQW-PWSUYJOCSA-N	295.835	5.031	0	20	CKAD	
CCC[C@H](NCc1ccc(CC)s1)c1ccsc1	443099320	SSDZWFHJQVSVDV-HNNXBMFYSA-N	279.474	5.003	0	20	CKAD	
CC[C@@H](SCc1csc(C)n1)c1ccc(F)cc1F	523391790	JXMXATBGLHMMKB-CQSZACIVSA-N	299.411	5.114	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2cccc(C)c2C)c1	540833005	NUVLCCGBDFVECV-HZPDHXFCSA-N	283.415	5.184	0	20	CKAD	
C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccsc1	551573659	YAIJMIPELBQVJG-GFCCVEGCSA-N	291.847	5.132	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc(C2CC2)c1)c1cccs1	556057932	ZFNGAIVFDGNICQ-GUYCJALGSA-N	285.456	5.427	0	20	CKAD	
CC(C)(C)SCCSCCC(Cl)(Cl)Cl	783550330	BSPZYCUTDPPWCS-UHFFFAOYSA-N	295.728	5.012	0	20	CKAD	
COc1ccc(N[C@@H](C)c2cccc3ccccc23)cc1	19996063	WSAYAVYFIOXUJN-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2ccccc2C)cc1	21510622	ZZJLEQMJOWGMMS-LSDHHAIUSA-N	285.456	5.129	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccc(F)cc1)c1ccccc1	37128450	XBTBMMULTTWRLY-SFHVURJKSA-N	285.406	5.093	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cccc(F)c1F)c1ccsc1	443081965	XPTOWDQIEXQOFL-ABAIWWIYSA-N	295.398	5.218	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1nc2ccccc2o1	461099105	CTJJCCWOFVFSFK-ZDUSSCGKSA-N	292.382	5.268	0	20	CKAD	
Cc1c([C@H](C)N[C@@H](C)CCC(F)(F)F)oc2ccccc12	477849836	BLQZVUKNILIJDE-JQWIXIFHSA-N	299.336	5.123	0	20	CKAD	
Cc1nc(-c2cccc(NC3CCC4(CC3)CC4)c2)oc1C	488320400	DBGGFPMSLBFNBY-UHFFFAOYSA-N	296.414	5.093	0	20	CKAD	
Cc1ccccc1[C@H](CC(C)C)NCc1sccc1C	489097728	NIDNCWZPRPYINM-KRWDZBQOSA-N	287.472	5.242	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2ccc(SC(C)C)cc2)cc1	504039207	ZQSMHJRMOXVJOS-MRXNPFEDSA-N	299.483	5.346	0	20	CKAD	
CC[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(Cl)cc1	608372993	QWXVOONFEGURPD-QGZVFWFLSA-N	298.817	5.062	0	20	CKAD	
CC[C@H](C)[C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1	7609978	VVESPXIWZCYHJN-IFXJQAMLSA-N	295.426	5.072	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc(C)sc2C)s1	37122948	WVJIPAHMVMRUBI-RYUDHWBXSA-N	279.474	5.147	0	20	CKAD	
CC(C)c1ccc(NCc2cscn2)c(C(C)C)c1	40504450	XEERRHVHIFSPGI-UHFFFAOYSA-N	274.433	5.002	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CC2)s1	41204368	QIIHQUNTKGRFQI-UGSOOPFHSA-N	285.456	5.112	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)C)cc1)c1cccs1	44350641	ZXHSTNLXAUQAEN-INIZCTEOSA-N	273.445	5.112	0	20	CKAD	
C[C@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(F)cc1	313708612	UBUIHCFFMGHDQY-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2c(F)cccc2Cl)s1	388348005	LDRKACSQJRBDEX-MNOVXSKESA-N	297.826	5.261	0	20	CKAD	
CC[C@@H](CC(F)(F)F)N[C@H](C)c1cc2ccc(C)cc2o1	426041430	FFXWMRLBOFZLHA-YPMHNXCESA-N	299.336	5.123	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2F)c(C)o1	481029451	YSISPBQTKNDFJC-GHMZBOCLSA-N	295.785	5.101	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@@H](C)c2ccccc2)cc1	531960315	OUUYCJFZOKFLII-LSDHHAIUSA-N	285.456	5.210	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccoc1	532218049	SUHDDQAYVLWRPT-FZKQIMNGSA-N	287.378	5.001	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1ccsc1)C(C)C	532500034	XVWOTULRJUWONP-PBHICJAKSA-N	273.445	5.104	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCN2C(=O)CCC2CCC2)cc1	534111444	NYXQDOZLKTXWQR-LJQANCHMSA-N	299.458	5.054	0	20	CKAD	
COCc1cccc(N[C@@H](CC(C)C)c2cccs2)c1	540697586	FFNHUFCIHYVVQO-INIZCTEOSA-N	289.444	5.094	0	20	CKAD	
CCC[C@H](Nc1ccc(C(C)C)cc1)c1cccnc1	544613313	BUXQUBIQEYYHOE-SFHVURJKSA-N	268.404	5.158	0	20	CKAD	
CC[C@H](C)CCCCC(=O)N1CCC[C@H]1c1ccsc1	680024439	INGYTKJGFMJYAA-HOCLYGCPSA-N	293.476	5.018	0	20	CKAD	
Clc1ncccc1CS[C@@H]1CCCc2ccccc21	727055166	QKTUMVIHYCFSJR-OAHLLOKOSA-N	289.831	5.046	0	20	CKAD	
Cc1nc(S[C@@H](C)c2cccc3ccccc23)oc1C	63536309	RQCVSOICLZFTHW-ZDUSSCGKSA-N	283.396	5.298	0	20	CKAD	
CC(C)Oc1ccc(NCc2ccc(C(F)F)cc2)cc1	131312722	SIUDNHKQWSDFFX-UHFFFAOYSA-N	291.341	5.024	0	20	CKAD	
C[C@@H]1C[C@H](N[C@H]2CCSc3ccccc32)c2ccccc21	313887292	DCPADPKPZHJXMS-BVGQSLNGSA-N	295.451	5.062	0	20	CKAD	
FC1(F)CCCC[C@H]1CNc1cccc2ccccc12	381669022	KVWVRMRLTVVTFE-AWEZNQCLSA-N	275.342	5.077	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc2ccccc2o1)c1ccsc1	382108019	PLGBGBVPRDSSKP-IUODEOHRSA-N	285.412	5.296	0	20	CKAD	
Cc1cccc2c1CC[C@@H]2N[C@H](C)c1cc2ccccc2o1	443207303	IEALLQNEZUMNCW-KDOFPFPSSA-N	291.394	5.079	0	20	CKAD	
CCc1cnc(CSc2ccc(-c3ccccc3)cc2)o1	525712006	HNTBRBZXHAGEJE-UHFFFAOYSA-N	295.407	5.196	0	20	CKAD	
c1cc(-c2nc(CSC3CCCC3)cs2)cs1	603452212	CBZOZDOSPGYODS-UHFFFAOYSA-N	281.471	5.047	0	20	CKAD	
Cc1nnc([C@@H](C)S[C@@H](C)c2ccc(C(C)C)cc2)o1	182068229	LOYKMJWEPFAUNX-NWDGAFQWSA-N	290.432	5.057	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H]2CCSc3ccccc32)c1	183104217	BHMLYAKHZLLALT-GUYCJALGSA-N	299.439	5.043	0	20	CKAD	
CCOc1cc(C)ccc1N[C@@H](CC)c1ccsc1	382168186	VSYLUWUTHMXKCK-AWEZNQCLSA-N	275.417	5.018	0	20	CKAD	
CC[C@H](N[C@H](CC(C)C)c1ccccc1)c1ccsc1	382197107	ZYOSYLDJXJCAIS-ZWKOTPCHSA-N	287.472	5.576	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@H](C)c2cc3ccccc3o2)c1C	477924748	GTOCFCGRKSZGSF-CHWSQXEVSA-N	297.402	5.082	0	20	CKAD	
Fc1ccc(SCc2csc(C3CCCC3)n2)cc1	520165279	ICALYFSETRFUKQ-UHFFFAOYSA-N	293.432	5.232	0	20	CKAD	
Cc1ccc(F)c(CN[C@@H](C)c2cc3ccccc3s2)c1	604891397	CMPWSWJMCWODKH-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(-c2ccccc2)o1)c1ccsc1	669850954	QASYHZKGYKNPRD-KBPBESRZSA-N	297.423	5.420	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2csc3ccccc23)s1	776168014	IZMBNWJFDZAFSY-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1	21511763	SICVSQYALPIYEI-KGLIPLIRSA-N	273.807	5.060	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cccs1	37235263	OYUBSXUAPGKCTG-MEDUHNTESA-N	291.847	5.203	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@H](C)c1cccc(F)c1	37780606	SJESVRBQSBYFMK-CQSZACIVSA-N	287.378	5.094	0	20	CKAD	
Cc1ccc([C@@H](N[C@@H](C)c2cc(C)oc2C)C2CC2)cc1	44729866	XXIXUZHRCLSDHJ-IFXJQAMLSA-N	283.415	5.007	0	20	CKAD	
Cc1ccc(NCc2cnc(C(C)(C)C)s2)cc1Cl	59181072	PZHGMBNCZCBALK-UHFFFAOYSA-N	294.851	5.015	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC=CCC1	191551424	FQMKQLSGMRHRQR-MRXNPFEDSA-N	285.431	5.057	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccccc1Oc1ccc(C)cc1	215612649	FMIKMKKAUQRKOB-VIZOYTHASA-N	295.382	5.082	0	20	CKAD	
Cc1cccc([C@H](N[C@@H](C)c2cccc(O)c2)C(C)(C)C)c1	442779919	MDZVVRALVQZBEN-KXBFYZLASA-N	297.442	5.139	0	20	CKAD	
CC(C)n1ccc(CS[C@H](C)c2ccccc2Cl)n1	522630085	YEIXSPKFQOBXJQ-GFCCVEGCSA-N	294.851	5.112	0	20	CKAD	
C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(C2CC2)c1	551013494	CJYNSGBHQCNPPQ-ZUOKHONESA-N	295.401	5.041	0	20	CKAD	
C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376344	VSODWAYXJJFZIK-LIRRHRJNSA-N	283.390	5.018	0	20	CKAD	
Cc1nc(CSCc2ccc3ccccc3c2)cs1	609235191	CMVKTVANXZZAQT-UHFFFAOYSA-N	285.437	5.038	0	20	CKAD	
C[C@@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)c1ccco1	883365334	YVZZDROWOULBGR-RNCFNFMXSA-N	287.256	5.026	0	20	CKAD	
Cc1cc(-c2csc(-c3ccncc3)n2)c(C)c(C)c1C	23623454	KRCLPLURBCGBMB-UHFFFAOYSA-N	294.423	5.106	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1	36967334	UHZYQXWWVABJFJ-KSSFIOAISA-N	287.834	5.388	0	20	CKAD	
C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)c1ccco1	37128590	NTDFJDDFURFPLA-GDBMZVCRSA-N	271.404	5.108	0	20	CKAD	
CC(C)c1nc2cc(N[C@H](C)c3cccs3)ccc2o1	37136843	HNGXPPJXHMCNQQ-LLVKDONJSA-N	286.400	5.186	0	20	CKAD	
CC(=O)c1cc(Cl)c(-c2ccc3ccccc3c2)s1	98178921	CLCABHHOUXFXOJ-UHFFFAOYSA-N	286.783	5.424	0	20	CKAD	
CC(C)c1ccc([C@@H](C)Nc2ccc3c(c2)COC3)cc1	313937283	WQMWRZCDUVRLKF-CQSZACIVSA-N	281.399	5.013	0	20	CKAD	
CCC(CC)n1ccc(CNc2cccc3ccccc23)n1	315886874	OBZYWYCTKRLDFS-UHFFFAOYSA-N	293.414	5.010	0	20	CKAD	
Cc1cc(CN[C@H](C)c2cc3ccccc3s2)cs1	381170811	CEAJGSJBFYSDNL-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@H](CC(C)(C)C)c2ccccc2)c1	552224532	YHUYLXLEAZYFGX-VQIMIIECSA-N	296.458	5.218	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H]2C[C@H](C)c3ccccc32)c1	584255864	ZOIDPBQEBSCKDW-IQUTYRLHSA-N	281.399	5.054	0	20	CKAD	
CC[C@H](Sc1ccc(Cl)nn1)c1ccc(Cl)cc1	747363707	HHHNYYMFPJGOKV-NSHDSACASA-N	299.226	5.027	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)cc1	21511767	SICVSQYALPIYEI-ZIAGYGMSSA-N	273.807	5.060	0	20	CKAD	
CCC[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1	43389424	WHKXAGCLDOZPND-KRWDZBQOSA-N	291.797	5.110	0	20	CKAD	
CCCc1ccc([C@@H](N[C@@H](C)c2ccccn2)C(C)C)cc1	236920662	YFHLFKZIJDVYLF-JXFKEZNVSA-N	296.458	5.082	0	20	CKAD	
FC(F)(F)Cc1ccccc1NCc1ccccc1Cl	462180281	LUTGSHYYTGJYFM-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@H](C)c2cc(C)sc2C)c1C	477946226	QFCWVLOGGBTWIU-ZYHUDNBSSA-N	291.464	5.014	0	20	CKAD	
CC(=O)[C@@H](Sc1ccc2ccccc2c1)c1ccccc1	509964660	WRKKTGDZFHCGGA-LJQANCHMSA-N	292.403	5.262	0	20	CKAD	
C[C@@H]1C[C@@H](N[C@H](c2cccs2)C2CC2)c2ccccc21	564125189	TYOVHDJYENOVQM-NJAPINKUSA-N	283.440	5.037	0	20	CKAD	
COc1ccsc1[C@H](C)Nc1ccc2ccccc2c1	769970378	OLEPIOMMALYAHW-LBPRGKRZSA-N	283.396	5.083	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1c(CC)ccc(Cl)c1CC	920217389	VDPBZNPPQXTDBW-VAWYXSNFSA-N	293.838	5.150	0	20	CKAD	
CCc1ccc(CC)c(NC(=O)c2sccc2C2CC2)c1	72548297	HWPYEXKWRICDRQ-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
C[C@H](N[C@@H](CC1CCCC1)c1ccccc1)c1cccnc1	90765526	BJBZILVGWBYUHB-JXFKEZNVSA-N	294.442	5.054	0	20	CKAD	
CC(C)Oc1ccc(N[C@H](C)CCCC(F)(F)F)cc1	163243866	NOECKSPXJVBWEL-GFCCVEGCSA-N	289.341	5.007	0	20	CKAD	
COc1ccccc1S[C@@H](C)c1ccc(F)c(Cl)c1	303089147	YTMGRELIUFBAFI-JTQLQIEISA-N	296.794	5.341	0	20	CKAD	
CC[C@@H](N[C@H](CC1CCC1)c1ccccc1)c1ccncc1	453195298	JIQBQCCBYQTPGC-WOJBJXKFSA-N	294.442	5.054	0	20	CKAD	
C[C@@H](SCc1cncc(C(F)(F)F)c1)c1ccccc1	461238978	HKLGRBQJDNNSQU-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CC	471879333	AVOJSWMLOWKKEN-UHFFFAOYSA-N	290.451	5.073	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1ccc2ccccc2n1	538619831	ZVRIQAPDENOLLL-HNNXBMFYSA-N	298.389	5.561	0	20	CKAD	
CCc1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1C	539853655	AGIQLBUBCHWJLX-CYBMUJFWSA-N	286.419	5.016	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccccc2C(C)C)s1	783317198	UYXYWYLBHSIISP-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
C/C(Cl)=C/C(=O)Nc1c(C(C)C)cccc1C(C)C	900310970	VXICLSJNBCZQHH-XFXZXTDPSA-N	279.811	5.015	0	20	CKAD	
Cc1cc(C)cc(N[C@@H](C)c2ccc(OC(F)F)cc2)c1	21516684	GQGKNTXXYNHFRM-ZDUSSCGKSA-N	291.341	5.078	0	20	CKAD	
Cc1c([C@H](C)Nc2ccc(C(C)C)cc2)cnn1C(C)C	191419683	XFFGYPUVAMVGJZ-AWEZNQCLSA-N	285.435	5.069	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2oc3ccccc3c2C)cc1F	303365677	RBDKKHOZJZFTQQ-AWEZNQCLSA-N	297.373	5.040	0	20	CKAD	
C/C=C/c1ccc(NCc2cc(F)cc3cccnc23)cc1	342274334	HNMAWEDHXJAXTD-DUXPYHPUSA-N	292.357	5.019	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CC1(C)CC1	428339733	FNHZERUTAHHOEN-UHFFFAOYSA-N	273.420	5.062	0	20	CKAD	
Cc1cccc([C@@H](N[C@H](C)c2cncc(C)c2)C(C)(C)C)c1	467742151	UVEWJIBZOCUCGD-VQIMIIECSA-N	296.458	5.136	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CC(CC)CC	472673455	VORUIVFAGNDPHK-UHFFFAOYSA-N	289.463	5.527	0	20	CKAD	
Cc1cc(NCc2ccc3ncccc3c2)ccc1C1CC1	478310530	MXQMDBSUAFNIGV-UHFFFAOYSA-N	288.394	5.033	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccc3ncsc3c2)c1	485806893	RGDJCBUEDXBLSH-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2nccc3ccccc23)c(C)c1	568615711	ZVOMGRMPASHUSO-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
C[C@H](Nc1nccs1)c1ccccc1Oc1ccccc1	725793375	YNFNJAFTKFEYLV-ZDUSSCGKSA-N	296.395	5.109	0	20	CKAD	
c1ccc(-c2ccc(SCc3cscn3)cc2)cc1	728161160	MJWQGWNEFJYMEQ-UHFFFAOYSA-N	283.421	5.102	0	20	CKAD	
C/C(=C\C(C)(C)C)C(=O)Nc1ccccc1-c1ccccc1	771875883	VLSYWOGXBUCYMZ-CCEZHUSRSA-N	293.410	5.285	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@@H](C)c1csc2ccccc12	772452853	AIBSKYSOHCDTBU-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
Cc1ccccc1[C@H](C)NCc1ccc(Cl)c(Cl)c1	21055925	SMVDVQVDUZAUDG-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1csc(Cl)c1)c1cccs1	191215318	NMTPVVHVEZZCTF-GXSJLCMTSA-N	285.865	5.265	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)[C@@H](C)CC	472673897	YVPULCVGDRHNJT-LSDHHAIUSA-N	289.463	5.383	0	20	CKAD	
Cc1cc2cc(N[C@H](C)c3ccccc3Cl)ccc2[nH]1	500280882	PUWLZGKPXWSHAH-GFCCVEGCSA-N	284.790	5.303	0	20	CKAD	
C(=C\c1ccc2ccccc2n1)\c1coc(-c2ccccc2)n1	517622217	CDPLHZVIYUJVLG-SEYXRHQNSA-N	298.345	5.060	0	20	CKAD	
Cc1ccccc1NC(=O)c1coc2ccc(C(C)C)cc12	553044227	AKVJJTIRNZUIHW-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
CC(C)SCc1csc(-c2ccc(Cl)cc2)n1	604526574	TYGOTZMLIROULG-UHFFFAOYSA-N	283.849	5.105	0	20	CKAD	
Cc1ccccc1[C@H]1CCCN1C(=O)C1CCCCCCC1	741671872	CKCQZHIZGFWESU-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ccsc1	742544098	YXJLASWVTSPNDV-GOEBONIOSA-N	293.476	5.018	0	20	CKAD	
C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1	21791917	RCITXKBRJURNHN-JTQLQIEISA-N	283.268	5.018	0	20	CKAD	
CC[C@H](Nc1cccc(COC)c1)c1ccc(Cl)cc1	36918239	KPNUQDPPJPIOIO-KRWDZBQOSA-N	289.806	5.050	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1ccc(C)c(C)c1	46416120	LTSKQKISCFGHHG-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)cs1	381749528	NGEXMFQFGUJXBE-LLVKDONJSA-N	298.411	5.248	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1ccsc1	386250151	RKTZCPOWDZBNGX-JTQLQIEISA-N	259.399	5.136	0	20	CKAD	
CC[C@H](NCc1sccc1C)c1cccc(Cl)c1F	461096862	WAJAJNSLHLVMBC-ZDUSSCGKSA-N	297.826	5.090	0	20	CKAD	
CC(C)(C)C[C@H](NCc1cccs1)c1ccc(F)cc1	520947901	CQVXTSPKAUCRNQ-INIZCTEOSA-N	291.435	5.154	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2ccc(Cl)cc2)c1	602584076	CAPPPOPODHTOGV-ZDUSSCGKSA-N	289.806	5.050	0	20	CKAD	
CC(C)[C@@H](NCc1ccc(Cl)o1)c1ccccc1Cl	604417002	WOPRPMXVZOMKHS-OAHLLOKOSA-N	298.213	5.073	0	20	CKAD	
Cc1ccsc1-c1nc(-c2ccc(F)c(F)c2)cs1	28334359	LNQVWPLYONQKIS-UHFFFAOYSA-N	293.363	5.125	0	20	CKAD	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1nccs1	86510246	VBIWMOYFQVBSEH-CYBMUJFWSA-N	296.395	5.109	0	20	CKAD	
C(=C\c1ccccc1)\CSC1=Nc2ccccc2CS1	206326015	GQKLHZBFAUERJU-TWGQIWQCSA-N	297.448	5.368	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21	249017394	JLVJMUTWBMCILH-PIIMJCKOSA-N	299.458	5.137	0	20	CKAD	
CCC(CC)(CC)NC(=O)Nc1c(C)cccc1C(C)C	303955023	WXEGVBKJDYRMNO-UHFFFAOYSA-N	290.451	5.209	0	20	CKAD	
CC[C@@H](N[C@@H](CC(C)C)c1ccccc1)c1ccsc1	382197100	ZYOSYLDJXJCAIS-MSOLQXFVSA-N	287.472	5.576	0	20	CKAD	
CCCC[C@H](C)C(=O)Nc1cccc(C(F)F)c1Cl	409949805	DUWVHDRIKVOTID-VIFPVBQESA-N	289.753	5.042	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1Cl	476550681	QVERURNGMAQGBJ-LLVKDONJSA-N	292.810	5.107	0	20	CKAD	
CCSc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1	479866122	MFTNBMPEJXEVKM-HUUCEWRRSA-N	285.456	5.210	0	20	CKAD	
Cc1cccc(NC(=O)CC/C=C/c2ccccc2)c1Cl	525822537	FGKJDVGBGJZJNC-VZUCSPMQSA-N	299.801	5.081	0	20	CKAD	
CCSCc1cccc(NCc2cccc3cc[nH]c23)c1	532895447	KQYRYRRBQSSDGH-UHFFFAOYSA-N	296.439	5.033	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1ccsc1Cl	798500204	KFLKFMSJXJWQJK-UHFFFAOYSA-N	294.851	5.224	0	20	CKAD	
Cc1cc(Cl)cc(CNc2ccc3occc3c2)c1	864017302	DPNFWCYMESTHKF-UHFFFAOYSA-N	271.747	5.007	0	20	CKAD	
CC[C@H](N[C@H](C)c1csc(C(C)C)n1)c1ccccc1	90048737	JCLFMDRJGJBEOU-HIFRSBDPSA-N	288.460	5.068	0	20	CKAD	
CC[C@H](NCc1cccc(C(F)F)c1)c1ccc(C)cc1	131791673	HHEBYFGAWLEHIW-KRWDZBQOSA-N	289.369	5.174	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CC1CCCC1	191545808	IUQLKGZXJBHWMW-UHFFFAOYSA-N	287.447	5.281	0	20	CKAD	
C[C@@H](NCc1coc2ccccc12)c1cc2ccccc2o1	378906495	FPDPRNBDZVNPSE-CYBMUJFWSA-N	291.350	5.030	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1csc(Cl)c1	468930807	LBTZVQUSLKGZRX-NHYWBVRUSA-N	291.847	5.048	0	20	CKAD	
CCC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccsc1	525954941	PQEJGVUNVNNFEF-WQVCFCJDSA-N	289.444	5.096	0	20	CKAD	
CCSc1ccccc1[C@@H](C)N[C@H]1CCCC(F)(F)C1	540158881	QUNXARPTLKMITH-OLZOCXBDSA-N	299.430	5.027	0	20	CKAD	
C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccc(F)cc1	608374708	FLXURHGAQUPLPQ-LLVKDONJSA-N	297.295	5.104	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1c(CC)cccc1CC	741882844	XOYIXYZRBIYKPH-HNNXBMFYSA-N	289.463	5.356	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(C)s1)c1ccccc1	37062478	RTFBMIGPNJHDHH-GDBMZVCRSA-N	273.445	5.249	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2)s1	49158679	JZHNNWCWXVDPGT-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
CC[C@H](N[C@@H](c1ccc(C)cc1)C1CC1)c1cccs1	49529468	BATSRBKYKRDEGO-WMZOPIPTSA-N	285.456	5.249	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	248291143	TUHMJAJHKXUVMQ-ZETCQYMHSA-N	294.609	5.022	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cccc(O)c1	315363103	BYOKEOSLRLQOOD-CABCVRRESA-N	297.442	5.102	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1ccccc1OC(C)C	315660539	OOQVLPSVFOGFDJ-IRXDYDNUSA-N	297.442	5.194	0	20	CKAD	
CCc1cccnc1[C@H](C)Nc1ccc(C2CCC2)cc1	494468218	AKBBBOSLMHWULX-AWEZNQCLSA-N	280.415	5.085	0	20	CKAD	
c1ccc([C@H](CC2CCCCC2)NCc2ccco2)cc1	500892534	GVEZNHWCSGWGKO-IBGZPJMESA-N	283.415	5.081	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2ccccc2Cl)c1	602584630	GKRYETKWFYUEPO-STQMWFEESA-N	289.806	5.221	0	20	CKAD	
CCCCN(C(=O)CCC(C)(C)C)[C@H](C)c1ccc(C)o1	606170523	AASPHQUGKQMITJ-OAHLLOKOSA-N	293.451	5.104	0	20	CKAD	
CC(C)c1ccccc1NC(=O)CC1(C)CCCCC1	622293343	JJCSRDBFCNVXDL-UHFFFAOYSA-N	273.420	5.109	0	20	CKAD	
Cc1ccc(/C=C(/Cl)c2nc3ccccc3s2)s1	747062465	LTUTXATUGUGWAF-DHZHZOJOSA-N	291.828	5.403	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccccc1F)c1ccccc1	37062491	PLXIFDUJEGEKSP-KSSFIOAISA-N	271.379	5.018	0	20	CKAD	
C[C@H](Sc1ccccn1)c1ccc(Cl)c(Cl)c1	197305832	MWIZMDRNFLMOQB-VIFPVBQESA-N	284.211	5.242	0	20	CKAD	
FC(F)(F)c1ccc(CNc2ccsc2Cl)s1	428565245	ZZKHOOZTKVVPQD-UHFFFAOYSA-N	297.754	5.094	0	20	CKAD	
CC[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccccc1	439596598	LUFSPPZVXHKDMH-MRXNPFEDSA-N	293.332	5.355	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(C)(C)C	476888285	BZRWRQIICHKKSC-CQSZACIVSA-N	275.436	5.129	0	20	CKAD	
CSc1ccc(C)c(N[C@@H](C)CCCC(F)(F)F)c1	480294814	PUIJRSCNUITYGY-NSHDSACASA-N	291.382	5.250	0	20	CKAD	
CCSc1cccc(C(=O)Nc2ccccc2C(C)C)c1	481916030	CRFQQQWELFRMSL-UHFFFAOYSA-N	299.439	5.174	0	20	CKAD	
CCc1cnc(CS[C@@H](C)c2cccc(Cl)c2F)o1	547813232	UFKIYOIICAKLEL-VIFPVBQESA-N	299.798	5.024	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](CCC)c2ccccn2)cc1	562060368	XFOMYBLEDBTZHC-JGIVAVPZSA-N	266.388	5.068	0	20	CKAD	
Cc1cccc(C)c1CSCc1ncc(C(C)(C)C)o1	610008841	YTPWAOYVNNUQIM-UHFFFAOYSA-N	289.444	5.022	0	20	CKAD	
CSc1ccc(-c2csc(-c3ccsc3)n2)cc1	16941642	ZTYQRNSOYWSBLC-UHFFFAOYSA-N	289.450	5.261	0	20	CKAD	
Cc1c([C@H](C)N[C@@H](C)c2ccsc2)oc2ccccc12	61361446	KHOQYEYGDCNGEN-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
CCCSCC(=O)Nc1c(C(C)C)cccc1C(C)C	77529930	MNLNGARKOYTNPF-UHFFFAOYSA-N	293.476	5.015	0	20	CKAD	
CC[C@H](N[C@H](C)c1nccc2ccccc12)c1ccccc1	289533473	BIAPGBUFWMANSH-BEFAXECRSA-N	290.410	5.037	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](CC(F)F)c2ccccc2)s1	421877355	LQRFGVYHYLCIAE-OCCSQVGLSA-N	295.398	5.104	0	20	CKAD	
CCCC[C@H](NCc1cccc(C)c1)c1ccc(OC)cc1	488490444	HGBMYHAJAJLSMT-FQEVSTJZSA-N	297.442	5.025	0	20	CKAD	
CC(C)c1ccc([C@@H](N[C@H](C)c2ccccn2)C(C)C)cc1	500652179	OQWNUILBDNEQBL-UZLBHIALSA-N	296.458	5.253	0	20	CKAD	
CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1cccc(C)c1	514082799	IRZZJCKAWXXGHA-SJLPKXTDSA-N	285.456	5.249	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCC1)c1cccc(F)c1	531705425	GNMHNOVHTJGWRQ-IFXJQAMLSA-N	283.390	5.018	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](c2ccc(C)o2)C2CCC2)c1	541768025	BRWSNBIOWANYNJ-LIRRHRJNSA-N	299.414	5.249	0	20	CKAD	
CCC(C)(C)OCc1ccccc1NCc1cccs1	543615651	JIVDPZPBCVZMLC-UHFFFAOYSA-N	289.444	5.065	0	20	CKAD	
COc1ccccc1SCc1ccccc1C(F)(F)F	620680221	XIVSGSINAGXVGF-UHFFFAOYSA-N	298.329	5.006	0	20	CKAD	
CCCCCC(=O)Nc1ccc(-c2ccccc2)cc1F	914734275	MJYZCKUUWANAHQ-UHFFFAOYSA-N	285.362	5.012	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1	19991732	GUQOHVPOHGBFSD-ZIAGYGMSSA-N	273.807	5.060	0	20	CKAD	
Cc1ccsc1CN[C@H](c1ccc(Cl)cc1)C(C)C	35054207	ALBWBXNYLLRVLP-INIZCTEOSA-N	293.863	5.197	0	20	CKAD	
Cc1cc([C@H](C)NCc2c(F)cccc2Cl)c(C)s1	35252868	XLAIEOSOSALQEE-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
CC(C)c1ccc([C@H](NCc2cccc(O)c2)C(C)C)cc1	61030613	YPYUXPHBXQHQDE-HXUWFJFHSA-N	297.442	5.003	0	20	CKAD	
Cc1cscc1CN[C@H](c1cccs1)C1CCCC1	94878349	SKJHIDWTDONLEP-INIZCTEOSA-N	291.485	5.139	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccncc1	177368905	ODDHDAWWAMJSHG-YWZLYKJASA-N	290.410	5.037	0	20	CKAD	
C[C@@H](Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccco1	429434685	IDRAYWLSQIOORY-LLVKDONJSA-N	297.320	5.293	0	20	CKAD	
CC[C@@H](NC1(c2ccccc2)CC1)c1ccc(Cl)s1	537421838	BYLPYSOHCICNNN-CYBMUJFWSA-N	291.847	5.132	0	20	CKAD	
CSc1ccc(C)c(NC(=O)c2ccc(C(C)C)cc2)c1	539438439	GFEBKKCHVQHDDX-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
CC(C)(C)CCCCC(=O)N1CCC[C@H]1c1cccs1	557356483	NPTIGLYBFHBTEW-AWEZNQCLSA-N	293.476	5.018	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1	741890591	NNWYXJPDWKDTSJ-CABCVRRESA-N	293.476	5.018	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccsc1	742544097	YXJLASWVTSPNDV-GDBMZVCRSA-N	293.476	5.018	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCCCCC(F)(F)F	766131384	BEAIEYOGEKDTIC-UHFFFAOYSA-N	288.357	5.042	0	20	CKAD	
Clc1ccc(-c2ccccc2-c2ccccc2)cc1	2509956	LISOOWANSPLUPV-UHFFFAOYSA-N	264.755	5.674	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1)c1c(F)cccc1Cl	313586089	YNFKCHRYIFDSTG-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](CC(C)C)c2ccccc2)cs1	381745509	MRYJMRXQGWLXKW-QAPCUYQASA-N	287.472	5.495	0	20	CKAD	
CC(C)c1nc2cc(N[C@H](C)c3ccccc3F)ccc2o1	387294967	MJOQKHOOXBAJDM-GFCCVEGCSA-N	298.361	5.263	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](CC(F)F)c1ccccc1	421884246	UGSABPSKALIVTJ-PBHICJAKSA-N	289.369	5.042	0	20	CKAD	
CC(C)c1ccc(C(=O)Nc2ccccc2C(F)F)s1	425084660	IRJYDIYNOLKFPD-UHFFFAOYSA-N	295.354	5.061	0	20	CKAD	
CC(C)n1ccnc1S[C@@H](C)c1ccc(F)c(Cl)c1	497660432	FQZXGRXHBYGJAD-JTQLQIEISA-N	298.814	5.110	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CCC[C@H](C)C1	504351096	WHUIULPBENAKKY-HOCLYGCPSA-N	287.447	5.273	0	20	CKAD	
CSc1ccc([C@@H](C)NC2(c3ccccc3)CCC2)cc1	538567398	YTGRFXYHJZOOGI-OAHLLOKOSA-N	297.467	5.139	0	20	CKAD	
CC(C)c1ccc([C@@H](C)N[C@H](c2cccnc2)C2CC2)cc1	539051696	ARGOSVGNQWPOGI-QRWLVFNGSA-N	294.442	5.007	0	20	CKAD	
Cc1nc(C(C)C)sc1[C@@H](C)N[C@H](C)c1ccsc1	669851159	WDESVNYATLVMRI-GHMZBOCLSA-N	294.489	5.048	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1	21019668	LQLDXMBKBNGKIG-KSSFIOAISA-N	271.379	5.018	0	20	CKAD	
FC(F)Oc1ccc(NCc2ccc3ccccc3c2)cc1	216457996	RIHMEOJSVZDVEC-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccc(Cl)cc1)c1ccsc1	382173946	WRUIWFZVHJKUKZ-CVEARBPZSA-N	293.863	5.594	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2cc(C)c(F)cc2Cl)cs1	471253165	VCPIBEDIQAWONH-VIFPVBQESA-N	299.798	5.009	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](c2cccs2)C2CC2)c1C	480282217	YCZDPVZHMYTUHM-KSSFIOAISA-N	285.456	5.167	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)s1	482442440	YZZYLURKTQAWCB-KDOFPFPSSA-N	285.456	5.249	0	20	CKAD	
C/C=C/c1ccc(N[C@H](c2cccnc2)C2CCC2)cc1	516885664	PMSBOMDZDRWGSI-XUYKHGSPSA-N	278.399	5.068	0	20	CKAD	
CCc1ccc(CN[C@@H](CC(C)C)c2cccs2)s1	595626603	SGEUQJDXXLLTKA-HNNXBMFYSA-N	293.501	5.249	0	20	CKAD	
CCOc1ccccc1-c1nc(-c2cccc(F)c2)cs1	616021052	JRLYRVQFNUFFAC-UHFFFAOYSA-N	299.370	5.015	0	20	CKAD	
CCC[C@H](Nc1ccc(OC(C)C)c(C)c1)c1cccnc1	757611136	IWIJAXMNFUBHEG-SFHVURJKSA-N	298.430	5.131	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCc3ccc(Cl)cc32)s1	763395360	MRKLMWNBVDVGSC-XHDPSFHLSA-N	291.847	5.048	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cccc(F)c2F)c(C)s1	222716532	JDNUYMWSKKSYTM-GHMZBOCLSA-N	295.398	5.055	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@@H](C)c1cc2ccccc2s1	271612899	XEEQOUZKPNTSKG-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
Cc1csc(CNCc2cc(-c3ccccc3)cs2)c1	379099384	GRJDUUYRMUSQIP-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(Cl)cc1	386167738	MEDTZJLHQBVFOO-SNVBAGLBSA-N	281.733	5.451	0	20	CKAD	
CCC[C@@H](Nc1cccc(COCC)c1)c1ccsc1	443087688	QPKMLSJYUSGADW-QGZVFWFLSA-N	289.444	5.238	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1cc(F)ccc1F	539080583	VJLJSNOFGJTKKS-XHDPSFHLSA-N	295.398	5.137	0	20	CKAD	
C[C@H]1C[C@H](N[C@H](C)c2cc3ccccc3o2)c2ccccc21	566820605	KJXNSXZRXPKABF-IYOUNJFTSA-N	291.394	5.332	0	20	CKAD	
CC[C@H]1CC[C@H](C(=O)Nc2c(C)cccc2C(C)C)CC1	622410523	JQPQOWJCOFKQJG-WKILWMFISA-N	287.447	5.273	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)c(C)o1	683693420	YHUOGRAWFXBNCS-KUHUBIRLSA-N	283.415	5.088	0	20	CKAD	
CC(C)(C)[C@H](NCc1ccc(Cl)s1)c1ccccc1	35255431	WZBJCNGPNAIOJE-OAHLLOKOSA-N	293.863	5.279	0	20	CKAD	
CCc1ccc(CN[C@@H](C)c2cccc3ccccc23)s1	51717296	JMWRINXKOPRGML-AWEZNQCLSA-N	295.451	5.315	0	20	CKAD	
C[C@@H](N[C@H](CC1CCCC1)c1ccccc1)c1ccccn1	90765516	QJWKJEUKLOSCSE-OXQOHEQNSA-N	294.442	5.054	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)CCC2CC2)c(C)c1	524503454	QLRVCTQAOSJBME-CYBMUJFWSA-N	291.460	5.014	0	20	CKAD	
Cc1ccc(NC(=O)c2ccc(C(C)C)s2)c(Cl)c1	546859010	ZASSRULSNJYEKS-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1ccc(-c2ccc(CN[C@@H](C)c3ccsc3)o2)cc1	669830909	BMLRNXIXXHENLJ-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
C[C@H](Sc1nc2ccccc2s1)c1cccs1	737421846	ACZZLRAOQPJQPM-VIFPVBQESA-N	277.439	5.211	0	20	CKAD	
CSc1cccc(N[C@H](C)c2ccc(Cl)s2)c1	35285654	BWYGTBWRECPHIB-SECBINFHSA-N	283.849	5.297	0	20	CKAD	
Cc1cc(C(=O)Nc2ccccc2C(C)C)c(C)n1C(C)C	45671028	RDANYFRJCRLEFK-UHFFFAOYSA-N	298.430	5.062	0	20	CKAD	
CC[C@H](N[C@@H]1CCCc2sccc21)c1ccc(F)cc1	61359851	PEWLMISAZIMIHI-JKSUJKDBSA-N	289.419	5.006	0	20	CKAD	
C[C@@H](Nc1ccc(SC(C)(C)C)cc1)c1ccncc1	174041504	PBBIGMWIVKQEQL-CYBMUJFWSA-N	286.444	5.145	0	20	CKAD	
CC[C@@H](NCc1cc(C)ccc1F)c1ccc(Cl)cc1	227283068	SQFMBAJYXZVKJA-QGZVFWFLSA-N	291.797	5.028	0	20	CKAD	
Cc1nc2cc(N[C@H](C)c3cc4ccccc4o3)ccc2o1	314005631	FCUQMWQYBYKACG-LLVKDONJSA-N	292.338	5.056	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccccc2)C(C)C)cs1	381703784	HJSWQCXDRQCPPP-YOEHRIQHSA-N	273.445	5.104	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCCC2	472689274	GYHKGYLDISTNLD-QGZVFWFLSA-N	299.458	5.281	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](CC2CCC2)c2ccccc2)o1	495422247	ZFPAFICDARTXJH-YJBOKZPZSA-N	283.415	5.170	0	20	CKAD	
CSc1ccccc1[C@@H](C)NCc1ccc2occc2c1	512373934	CCWCKYMXLMWXDQ-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
CCCCCN(C(=O)[C@@H](C)c1cccs1)[C@@H](C)CCC	523103956	RQRLUPSURLJUSO-GJZGRUSLSA-N	295.492	5.059	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC2(CC2)C1	611920183	ZTSPXCBXSONWGY-OAHLLOKOSA-N	285.431	5.027	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccc(F)cc2C)c(C)s1	815555718	GMXHFMPEMDDUFR-STQMWFEESA-N	291.435	5.224	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2occc21)c1cc2ccccc2s1	126412882	YHYZKFDTTIXCKJ-SWLSCSKDSA-N	297.423	5.223	0	20	CKAD	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(Cl)s2)c2ccccc21	311708970	NFYFAAHNOOLVON-JTNHKYCSSA-N	291.847	5.301	0	20	CKAD	
CC[C@H](NCCC(C)(F)F)c1ccc(Cl)cc1Cl	379244366	ZJPYEIBDQHYVJT-LBPRGKRZSA-N	296.188	5.079	0	20	CKAD	
CCCOc1ccc(N[C@@H](C)c2csc(C)c2)cc1	394489798	YHNDUYMAIDNZIA-ZDUSSCGKSA-N	275.417	5.018	0	20	CKAD	
CC[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1cccs1	421873185	HLXUEZOIIUQEII-KGLIPLIRSA-N	295.398	5.185	0	20	CKAD	
Cc1nc(CNc2cccc(-c3ccccc3)c2)sc1C	431088010	VPBVSXCEIBWABO-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccncc1	453199266	XIZPQEFJLPBHIV-GFCCVEGCSA-N	296.748	5.236	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc3[nH]c(C)c(C)c3c2)s1	481407053	RGZKWVUCMZTCHS-AWEZNQCLSA-N	298.455	5.005	0	20	CKAD	
CC[C@H](N[C@@H](C)c1sccc1C)c1cc(F)ccc1F	539081244	IEDMDLSIKKHMNY-NHYWBVRUSA-N	295.398	5.137	0	20	CKAD	
C[C@H](Nc1nccs1)c1ccc(Oc2ccccc2)cc1	725791811	YICMLLKWDUSZOX-ZDUSSCGKSA-N	296.395	5.109	0	20	CKAD	
CC(C)[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccccn1	766080344	DNDZNDHUOYKFCB-XFQXTVEOSA-N	294.442	5.007	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccccc2C(F)(F)F)cc1	21513814	UTKMYAFSDCSIKO-LBPRGKRZSA-N	279.305	5.187	0	20	CKAD	
CC[C@H](NCc1ccc(Cl)c(F)c1)c1ccc(C)cc1	43389386	IQFDUMSCHQIXHK-KRWDZBQOSA-N	291.797	5.028	0	20	CKAD	
Cc1cc(C)c(CN[C@H](C)c2cc3ccccc3o2)cc1C	104908605	VCMOJVPKGKMHGD-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
FC(F)c1ccc(CNc2cccc3ccccc23)cc1	131287238	PLHDFTSLSFIYTR-UHFFFAOYSA-N	283.321	5.390	0	20	CKAD	
Cc1ccncc1CNc1ccc(SC2CCCC2)cc1	135445575	BVWIMOXUXSKNOH-UHFFFAOYSA-N	298.455	5.037	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1ccccc1C	440623008	VKFJAYJVGCZHIC-CABCVRRESA-N	285.456	5.129	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)o1	482456225	RLPNSYBMGMGUSQ-LIRRHRJNSA-N	283.415	5.034	0	20	CKAD	
CCCCc1ccc([C@@H](C)N[C@@H](CC)c2ccncc2)cc1	483718267	ALBJROYFGIZYIU-UZLBHIALSA-N	296.458	5.226	0	20	CKAD	
CCCCN(C(=O)/C=C(/C)CCC)[C@H](C)c1ccc(C)o1	920219391	LOHGTNFGSDMKJY-OMACXJQVSA-N	291.435	5.024	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)c(C)o1	37070937	INYZERLTGPQVFZ-OLZOCXBDSA-N	283.371	5.054	0	20	CKAD	
CCCOc1ccc(CN[C@H](CC)c2ccc(C)cc2)cc1	315373255	CRFVXUJKGTTWKZ-HXUWFJFHSA-N	297.442	5.025	0	20	CKAD	
CC[C@@H](c1ccccc1)[S@](=O)c1ccc2ccccc2c1	475048587	IDJSFYLPCSUGSD-PZJWPPBQSA-N	294.419	5.099	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)s1)c1cc(F)ccc1F	539080579	VJLJSNOFGJTKKS-IAQYHMDHSA-N	295.398	5.137	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H]2C[C@@H]21	613874583	DFYVQVGIVCTOOM-JQHSSLGASA-N	299.458	5.137	0	20	CKAD	
c1ccc2c(CNc3nccc4sccc34)cccc2c1	50197807	JPCMANOWLOYSRD-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)c1ccccn1	120325523	URTAGZLCFLRHHY-UZLBHIALSA-N	294.442	5.054	0	20	CKAD	
Cc1c([C@H](C)Nc2cccc(C(C)C)c2)cnn1C(C)C	191420814	ABTPXABTCAETLK-AWEZNQCLSA-N	285.435	5.069	0	20	CKAD	
CCCCC(CO)(CCCC)CSc1ccc(F)cc1	215761214	IMGBYUZGBHUMAE-UHFFFAOYSA-N	298.467	5.277	0	20	CKAD	
FC(F)Oc1ccccc1CNc1ccc2ccccc2c1	302925564	CMLQTLUXVMZMII-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(O)c1)c1ccc(C(C)(C)C)cc1	315363117	BYOKEOSLRLQOOD-LSDHHAIUSA-N	297.442	5.102	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccsc1	382140154	QLAKWWRMOKXAHR-IAQYHMDHSA-N	279.836	5.203	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](c2cccs2)C2CC2)s1	480271312	ZADHJWIIADRDNT-ZBEGNZNMSA-N	291.485	5.174	0	20	CKAD	
CC(C)c1ccccc1OCc1cc(F)cc2cccnc12	497672235	ZJAVYNNRUJUCDE-UHFFFAOYSA-N	295.357	5.076	0	20	CKAD	
CC(C)(C)[C@H](NCCC(F)(F)F)c1cc2ccccc2o1	498788155	LJPWLFFQLVAPRT-CQSZACIVSA-N	299.336	5.062	0	20	CKAD	
CC[C@H](N[C@H](CC)c1cccs1)c1cc(F)ccc1F	539089500	SQEXDVRBXAZEQA-LSDHHAIUSA-N	295.398	5.218	0	20	CKAD	
CCc1nc(C)c([C@H](C)Nc2cccc3ccccc23)s1	539720424	SEQZYVXEVFZMJU-LBPRGKRZSA-N	296.439	5.340	0	20	CKAD	
Cc1cc(CN[C@H](C)c2cccc(Cl)c2Cl)c(C)o1	767369754	GBHFMVMFVCVWGW-SNVBAGLBSA-N	298.213	5.054	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(Cl)c(Cl)c2)cc1	37770163	ISCFHTDZJJSKMC-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1sccc1C)c1ccccc1	70090991	WYCYEHBWLYJKAV-GOEBONIOSA-N	273.445	5.249	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1cccc2ccccc12	386186542	AWARWQJYDWQFMH-ZDUSSCGKSA-N	297.348	5.951	0	20	CKAD	
C[C@H](Nc1ccc2c(c1)COC2)c1ccc2ccccc2c1	389093826	HSYMLPWWFTXLOR-AWEZNQCLSA-N	289.378	5.043	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2csc(Cl)c2)cc1	468888467	IAPZGLMVODQFOY-LLVKDONJSA-N	295.835	5.111	0	20	CKAD	
CCC(CC)n1ccc(CNc2ccc(C3CC3)c(C)c2)n1	478316288	WVAHHZDPAWFHJG-UHFFFAOYSA-N	297.446	5.042	0	20	CKAD	
CC[C@@H](N[C@H](C)c1sccc1C)c1ccc(F)cc1F	483234489	MGPFOTQJZKGGOC-IAQYHMDHSA-N	295.398	5.137	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccsc2)cc1OC(C)C	494513719	UVBNSSNMZSGPCD-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)CC(C)(C)C)c(C)c1	499800230	OGUGPBAYOLYWDP-CYBMUJFWSA-N	293.476	5.260	0	20	CKAD	
CC(C)OCc1ccc(N[C@H](c2ccccc2)C2CC2)cc1	539629627	GDQYIOQXRMFYSY-HXUWFJFHSA-N	295.426	5.175	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc2cnn(C(C)C)c2c1	540832371	DROSOVPQFSSHDC-ZDUSSCGKSA-N	299.443	5.160	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1cscc1Cl	631613744	WFQRLOBRCVTREC-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1c(C)cccc1C	46416110	PVQSTGFEDYWNJP-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
C[C@H]1C[C@H](N[C@H](C)c2ccccc2)c2ccsc2S1	130183722	DKNJMUJBCOWHPC-ZOWXZIJZSA-N	289.469	5.024	0	20	CKAD	
COc1ccccc1-c1ccc(-c2ccccc2OC)cc1	196416889	KUPVLZCOEWZHFP-UHFFFAOYSA-N	290.362	5.038	0	20	CKAD	
Cc1ccc(CSCc2coc(-c3ccccc3)n2)cc1	247921456	NYSQRCWXNCCYKZ-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
Cc1ccsc1CN[C@H](C)c1ccc(-c2ccccc2)o1	481423615	NHCPLRTVBGYGMK-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
C[C@@H](N[C@H](CC1CCC1)c1ccccc1)c1cccs1	495421082	NPQCMCXQTPXESE-RHSMWYFYSA-N	285.456	5.330	0	20	CKAD	
CC(C)n1ccc(CS[C@H](C)c2cccc(Cl)c2)n1	523940962	IBUIMGWSHKCSER-GFCCVEGCSA-N	294.851	5.112	0	20	CKAD	
C[C@H](Nc1cccc(F)c1)c1ccc(-c2ccncc2)cc1	537408785	MJABXPUBEROWAW-AWEZNQCLSA-N	292.357	5.061	0	20	CKAD	
Clc1scc(CNc2cccc3cc[nH]c23)c1Cl	555762201	DJYUOZTZNUCGEN-UHFFFAOYSA-N	297.210	5.148	0	20	CKAD	
CCCCCC[C@H](C)CC(=O)Nc1c(C)cccc1C	727660045	ZNRFSEHIFCPVKO-AWEZNQCLSA-N	275.436	5.239	0	20	CKAD	
Cc1cc(C(=O)Nc2cccc(C(C)C)c2)c(C)n1C(C)C	8157674	DTMOGCOTGKDNBE-UHFFFAOYSA-N	298.430	5.062	0	20	CKAD	
Cc1ccc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c(C)c1	96650497	RKBLFZMKMOLUHH-GOSISDBHSA-N	295.426	5.072	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2ccccc2s1)c1cccc(O)c1	126471627	PMNVZCRLLUDXLN-CHWSQXEVSA-N	297.423	5.019	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CCc3sc(Cl)cc32)cc1	129582210	OVUPQAVNHXELLE-SMDDNHRTSA-N	291.847	5.048	0	20	CKAD	
C[C@H]1C[C@@H](N[C@H](C)c2ccccc2)c2ccsc2S1	130183916	DKNJMUJBCOWHPC-YWPYICTPSA-N	289.469	5.024	0	20	CKAD	
CC(C)c1noc([C@@H](C)Sc2ccc3ccccc3c2)n1	490259238	NFIIJSNSPZSOBZ-GFCCVEGCSA-N	298.411	5.200	0	20	CKAD	
CC[C@@H](Sc1nc2ccccc2o1)c1ccccc1	494093037	WAZOVFDVKBGEJK-OAHLLOKOSA-N	269.369	5.071	0	20	CKAD	
CC[C@H](Nc1ccc(C2CCC2)cc1)c1ccc(F)cn1	494468212	BGLLOUZVKSIEEP-KRWDZBQOSA-N	284.378	5.051	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](CC2CC2)c2ccccc2)c1	538632524	CYWLMZDKYLQYRT-YWZLYKJASA-N	295.426	5.347	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc(C(F)F)c2Cl)o1	542665961	SLCQDPFXPLBRCS-SECBINFHSA-N	285.721	5.352	0	20	CKAD	
Cc1nc2ccc(N[C@H](C)c3cc4ccccc4o3)cc2o1	561882131	UCWGWCUTRLLODT-LLVKDONJSA-N	292.338	5.056	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H](C)c2ccc(F)c(Cl)c2)o1	582597242	DWXJEOUYXPJLSS-ZJUUUORDSA-N	299.798	5.331	0	20	CKAD	
c1ccc2c(c1)CC[C@H]2SCc1cccc2cccnc12	604501693	VDFFRKFRQQUKOO-GOSISDBHSA-N	291.419	5.156	0	20	CKAD	
CCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1c1cccs1	775641690	ASBSSWFEIIMYJA-HUUCEWRRSA-N	293.476	5.018	0	20	CKAD	
CC[C@@H](Nc1ccc(N(C)C)cc1)c1ccc(Cl)s1	777602389	MQVQNJLUSURFHF-CYBMUJFWSA-N	294.851	5.031	0	20	CKAD	
Cc1c([C@H](C)NCc2ccc(Cl)cc2)oc2ccccc12	37243115	OVBBROCUSNVBJR-ZDUSSCGKSA-N	299.801	5.245	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccc(C)cc1)C1CC1)c1cccs1	49529469	BATSRBKYKRDEGO-AEFFLSMTSA-N	285.456	5.249	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cccs1)c1cccc(C)c1	387977249	FHFHYTLLJIECRD-HOTGVXAUSA-N	273.445	5.249	0	20	CKAD	
Cc1cccnc1[C@H](N[C@H](C)c1cccc(C)c1C)C(C)C	483154704	LABATTGHFFVUQG-IEBWSBKVSA-N	296.458	5.055	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1ccccc1F	630060480	ZNSQJKREPDWZIL-LLVKDONJSA-N	279.305	5.111	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775623435	QCYIHVSDVLTHJU-YWZLYKJASA-N	292.426	5.216	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc(C)sc2C)cc1	37122991	FMYGZWOUTFCBQQ-KGLIPLIRSA-N	273.445	5.085	0	20	CKAD	
CC(C)c1nc2cc(N[C@H](C)c3ccccc3)ccc2o1	37136861	CPPWHUFAIAYUEK-CYBMUJFWSA-N	280.371	5.124	0	20	CKAD	
Cc1ccc([C@@H](N[C@H](C)c2ccc(C)s2)C2CC2)cc1	49160753	LGFGMBYVCRFYGE-RDTXWAMCSA-N	285.456	5.167	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2ccc(Cl)s2)c1	130200125	VOWMWSUASAKGDY-QWRGUYRKSA-N	295.835	5.282	0	20	CKAD	
C[C@H](NCc1ccoc1)c1cc2c(ccc3ccccc32)o1	181554134	BCNYGXABLUNBCK-ZDUSSCGKSA-N	291.350	5.030	0	20	CKAD	
CC[C@H](NCc1cccc(C)c1C)c1ccc(Cl)s1	512220670	XPSQYCRAWSWSIK-AWEZNQCLSA-N	293.863	5.259	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cc(C)sc1C	536831343	HCRFLTHQISDMTH-FZKQIMNGSA-N	285.456	5.011	0	20	CKAD	
CC(C)[C@H](NCCCC(F)(F)F)c1cc2ccccc2o1	557876004	GXACRYCUSLBRRP-HNNXBMFYSA-N	299.336	5.062	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(C)c1C)c1ccc(F)cc1	606467803	HZXZZTMBAZULIR-DNVCBOLYSA-N	285.406	5.244	0	20	CKAD	
CCOc1ccccc1-c1nc(-c2ccccc2)c(C)s1	616021274	PZUKKAOTZIVYDL-UHFFFAOYSA-N	295.407	5.184	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1F)c1csc2ccccc12	732919048	XXASHGVDYSTSGH-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
CCCCC[C@@H](CC)C(=O)Nc1c(F)cccc1Cl	753474357	YGNXGDQWDZEMKB-LLVKDONJSA-N	285.790	5.024	0	20	CKAD	
Cc1nc2c(NCc3ccc(C4CCC4)cc3)cccc2o1	864014952	XMFYZXGQQXCGDC-UHFFFAOYSA-N	292.382	5.016	0	20	CKAD	
CCc1cccc(C)c1NC(=O)c1cc2ccccc2s1	5240756	QKXMKFFWARIXGC-UHFFFAOYSA-N	295.407	5.024	0	20	CKAD	
CCC(CC)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	75282699	OELQPWZJZYILDA-UHFFFAOYSA-N	294.609	5.022	0	20	CKAD	
CSc1ccc([C@@H](C)NCc2coc3ccccc23)cc1	91959833	LARWKWPHTKLDQN-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
FC(F)c1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1	188411682	HYYKQYGYLZFEPR-PWSUYJOCSA-N	293.279	5.157	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1sccc1Cl	286078193	LJBQLSYTYMFSLF-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc2ccccc12)c1ccsc1	394252468	DNJOSJWWCFWTNW-KUHUBIRLSA-N	295.451	5.703	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1ccc(-c2ccccc2)o1	480888582	IGRJEUCUBSLGCL-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
CCSCc1cccc(N[C@@H](C)c2ccc(C)o2)c1	539738582	JLNLSAZHAOJSNN-ZDUSSCGKSA-N	275.417	5.014	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C3CC3)c2)s1	551008549	XICVQXJSVFUYCZ-KBPBESRZSA-N	285.456	5.346	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccc2c(c1)CCC2	480276441	HPKZFVJGYVMCOK-BFUOFWGJSA-N	297.467	5.039	0	20	CKAD	
CCCc1ccccc1NC(=O)c1cccc(SCC)c1	481712227	LPLMYDWZYITICK-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
O=C(Nc1ccccc1)Nc1cccc(-c2cccs2)c1	510045436	OSQPUOBZTYJQNC-UHFFFAOYSA-N	294.379	5.059	0	20	CKAD	
CC(C)C[C@@H](NCc1sccc1Cl)c1cccs1	549064422	XSNRCWOXJLVOAX-GFCCVEGCSA-N	299.892	5.340	0	20	CKAD	
CC[C@H]1CCCCCN1C(=O)Nc1cccc2ccccc12	606916390	NDHGWYYVWFCXMA-INIZCTEOSA-N	296.414	5.026	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CC(C)(C)Cc3occc32)s1	765305807	RCSVYVCMGBYVIJ-TZMCWYRMSA-N	289.444	5.014	0	20	CKAD	
CCCCN(C(=O)/C=C(/C)CCC)[C@@H](C)c1ccc(C)o1	920219388	LOHGTNFGSDMKJY-FIPLFPIMSA-N	291.435	5.024	0	20	CKAD	
Cc1ccc(CNCc2cc(-c3ccccc3)cs2)cc1	38030724	MEUGUWFMPIGMIW-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cc2F)s1	41203636	UMHBBAVQNHHNPJ-QWRGUYRKSA-N	295.398	5.001	0	20	CKAD	
Clc1ccccc1SCc1nc2ccccc2s1	60649910	KINNXGRLWMXAMW-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
C[C@H](SCc1ccccc1F)c1ncc(C(C)(C)C)o1	443187806	DIKIJPGTSZSCJL-NSHDSACASA-N	293.407	5.106	0	20	CKAD	
Cc1cncc([C@@H](C)Nc2cccc(-c3cccs3)c2)c1	467737557	LOWNDFAVTIQZPA-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCCC(C)(C)C	504382339	SYKKUGAIQMYDGK-CYBMUJFWSA-N	295.854	5.076	0	20	CKAD	
CC[C@@H](NCc1cc(C)ccc1F)c1ccc(Cl)s1	523935936	PWNLWYPBDRFAMT-CYBMUJFWSA-N	297.826	5.090	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H]1C[C@H](C)c2ccccc21	564222406	VDENAPDRYWCLFB-PMUMKWKESA-N	297.467	5.308	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1csc2ccccc12	736347408	BPLMMJLIQWDQIH-KGLIPLIRSA-N	281.424	5.313	0	20	CKAD	
C/C=C/C=C/C(=O)Nc1ccc(Cl)cc1-c1ccccc1	785622841	VEHONJVIZSUDRY-XPQLPGEHSA-N	297.785	5.078	0	20	CKAD	
FC(F)c1ccsc1-c1nc(C2CCCCCC2)no1	904687584	SEAWTVCTDBTQTJ-UHFFFAOYSA-N	298.358	5.174	0	20	CKAD	
CC[C@H](SCc1sc(C)nc1C)c1ccccc1	437250940	AGUQAUHZERNDDM-AWEZNQCLSA-N	277.458	5.144	0	20	CKAD	
CC[C@H](N[C@@H](CC1CCC1)c1ccccc1)c1ccncc1	453195294	JIQBQCCBYQTPGC-PMACEKPBSA-N	294.442	5.054	0	20	CKAD	
Cc1ccsc1CN[C@H](c1ccccc1)C1CCCC1	517549939	DYTLOODNNUSIRD-GOSISDBHSA-N	285.456	5.078	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(CC(C)C)c1)c1ccncc1	519440928	DTVUSTXLDVTBNP-OXQOHEQNSA-N	296.458	5.082	0	20	CKAD	
Cc1cnc([C@H](C)Sc2ccc(Cl)c(Cl)c2)o1	539995554	FSIMDTJHSKHDIA-QMMMGPOBSA-N	288.199	5.143	0	20	CKAD	
Cc1cc(CS[C@@H](C)c2ccc3ccccc3c2)on1	604050148	QKBAWUFPHJGZOE-ZDUSSCGKSA-N	283.396	5.131	0	20	CKAD	
C[C@H](SCc1cccc(Cl)n1)c1cccc(Cl)c1	743248813	PAKVDKYHGCZANL-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1	815619332	KDTZIEWRTAKCSU-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
Cc1ccc(C)c(N[C@H](C)c2ccc(OC(F)F)cc2)c1	21501072	QABWXSKMBNTCDU-CYBMUJFWSA-N	291.341	5.078	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(Cl)cc2F)c(C)s1	157436390	CAZJECYSUWSVNF-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
CCCCCN(C(=O)Nc1ccccc1F)[C@@H](C)CCC	303667188	FNKGRGAGKAMRCY-AWEZNQCLSA-N	294.414	5.038	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2ccc(C3CCC3)cc2)c(C)c1	479628844	ZNNQYYIYYFLAEM-UHFFFAOYSA-N	293.410	5.132	0	20	CKAD	
Cc1noc(C)c1CS[C@@H](C)c1ccc(F)c(Cl)c1	498133039	VCCHDDBSXAUQTL-JTQLQIEISA-N	299.798	5.078	0	20	CKAD	
CC(C)SCC(=O)Nc1ccc(C(C)C)cc1C(C)C	515071995	OPICOBMGTTVSRZ-UHFFFAOYSA-N	293.476	5.014	0	20	CKAD	
CC(C)c1ccccc1NC(=O)CC/C=C/c1ccccc1	523141064	YSHJQJGGNORYJT-WUXMJOGZSA-N	293.410	5.242	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1	532441246	MBEZUGBOFBWYBH-CYBMUJFWSA-N	289.806	5.050	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2cccc([C@@H](C)OC)c2)s1	539732938	AUPKFJBCNNAEPI-CHWSQXEVSA-N	289.444	5.191	0	20	CKAD	
CC[C@@H](NCc1cccs1)c1cccc2ccccc12	682130137	ALGJXPNYIRWDHZ-GOSISDBHSA-N	281.424	5.142	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1	20552470	DHZJYNTZCXOWGJ-GJZGRUSLSA-N	279.383	5.153	0	20	CKAD	
CSc1ccc([C@H](C)NCc2coc3ccccc23)cc1	91959831	LARWKWPHTKLDQN-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
CCc1nc2cc(N[C@@H](CC)c3ccc(F)cc3)ccc2o1	195656879	KIMLFTLGZIJGSG-HNNXBMFYSA-N	298.361	5.093	0	20	CKAD	
CC(C)(C)c1ccccc1NC(=O)c1sccc1C1CC1	301765452	SPYBPIWDCGEQNX-UHFFFAOYSA-N	299.439	5.175	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1csc(Cl)c1	468930654	LBTZVQUSLKGZRX-ABAIWWIYSA-N	291.847	5.048	0	20	CKAD	
CC[C@H](N[C@H](C)C1CCC(F)(F)CC1)c1cccs1	474028834	DRNWGKRITUTNAY-YPMHNXCESA-N	287.419	5.003	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccc(Cl)s1	531712615	OZTMSWRYOAPUAF-ZWNOBZJWSA-N	297.826	5.343	0	20	CKAD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1ccoc1	540839577	WOKXOGNHYSDXCU-LBPRGKRZSA-N	269.369	5.181	0	20	CKAD	
Cc1ccc2oc(CN[C@@H]3C[C@@H](C)c4ccccc43)cc2c1	577545737	CTQCVTAGVWJUDN-AUUYWEPGSA-N	291.394	5.079	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@H](C)c3ccc(C)s3)oc2c1	756029416	BBOITWFKKRNDNL-UONOGXRCSA-N	299.439	5.523	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1csc2ccccc12)c1ccncc1	834571945	YBCJLWYUFUIDLA-SUMWQHHRSA-N	296.439	5.098	0	20	CKAD	
CCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C	144717482	GWEZHWDZMRYPOG-UHFFFAOYSA-N	275.436	5.452	0	20	CKAD	
CC[C@@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1	303537918	SRYDBEPWNIWJFM-MSOLQXFVSA-N	285.818	5.068	0	20	CKAD	
Cc1ccc2nc(/C=C\c3nccc4ccccc34)ccc2c1	607059140	FGJCDSGZYZFJGJ-LUAWRHEFSA-N	296.373	5.262	0	20	CKAD	
C[C@H](Nc1ccc(C2CC2)cc1)c1ccc2ccccc2n1	679089623	LJWQDQULOSBASA-AWEZNQCLSA-N	288.394	5.285	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(-c2cccs2)cc1	773120607	QBZLMNJKGUKMBZ-UONOGXRCSA-N	296.439	5.155	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cncs1)c1cc(C)sc1C	903305031	GFZYMFOSUXRVHY-RISCZKNCSA-N	294.489	5.013	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccccc1	36967547	OFTROVUAHYNCGC-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccc1Cl)c1ccsc1	382190893	YYCSMZLOFKMACS-NHYWBVRUSA-N	279.836	5.203	0	20	CKAD	
CO[C@@H](C)c1nc(-c2sc3ccccc3c2C)cs1	426195026	DERLFGUBYJJKNJ-JTQLQIEISA-N	289.425	5.041	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccncc1	467866517	ULOLXCSZZKMLIM-HNAYVOBHSA-N	296.458	5.181	0	20	CKAD	
CC(C)CC[C@@H](NCc1ccco1)c1ccc(Cl)cc1	513092426	MPDLMIJYRZWWMP-QGZVFWFLSA-N	291.822	5.200	0	20	CKAD	
CC[C@@H](Nc1ccc(COC(C)C)cc1)c1ccccc1	523652086	MGRGZOHUVKULOZ-LJQANCHMSA-N	283.415	5.175	0	20	CKAD	
CC(C)(C)c1ccccc1NC(=O)c1cc2occc2s1	605448638	KYPGIWYAJYFADW-UHFFFAOYSA-N	299.395	5.044	0	20	CKAD	
CCc1cccc(N[C@@H](C)c2cnc3ccsc3c2)c1	68690467	PCZFZWOABIJJJA-LBPRGKRZSA-N	282.412	5.032	0	20	CKAD	
Cc1nc(CSc2ccc(C(C)C)cc2)sc1C	461544717	LLAUQZUPJNQFFC-UHFFFAOYSA-N	277.458	5.176	0	20	CKAD	
CC(C)n1ccnc1S[C@H](C)c1ccc(F)c(Cl)c1	497660433	FQZXGRXHBYGJAD-SNVBAGLBSA-N	298.814	5.110	0	20	CKAD	
CC[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccc(Cl)s1	536848136	XSLVEAZEQKAJGV-VHSXEESVSA-N	293.810	5.020	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2ccc(C)cc2C)c1	537528220	CABIXCSMGULGSS-CVEARBPZSA-N	283.415	5.184	0	20	CKAD	
CSc1cccc(N[C@H](C)c2nccc3ccccc23)c1	562084401	RIUAYICWGDQPDZ-CYBMUJFWSA-N	294.423	5.130	0	20	CKAD	
CCCC[C@H](CCC)N[C@@H](C)c1ccc(C(F)F)nc1	657900971	OPZOGPYJQJNNAP-JSGCOSHPSA-N	284.394	5.029	0	20	CKAD	
CC[C@H](N[C@H](CC1CC1)c1ccccc1)c1cccs1	679046448	HRZOQEWWOVGGRX-DLBZAZTESA-N	285.456	5.330	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc(C2CC2)cc1	679090482	UEVLNTFJSXOHMW-LBPRGKRZSA-N	257.402	5.107	0	20	CKAD	
CC[C@H](SC[C@H]1CC1(Cl)Cl)c1ccccc1	747363878	MIJZQEDAVDSBJO-NEPJUHHUSA-N	275.244	5.065	0	20	CKAD	
C[C@H](SCc1ccn(C2CCCC2)n1)c1cccs1	763263084	RAIMPWRXUDBFLW-LBPRGKRZSA-N	292.473	5.054	0	20	CKAD	
CCC(F)(F)c1ccccc1N[C@H](C)c1csc(C)n1	866614157	HGDYFMOUVNIDEC-SNVBAGLBSA-N	296.386	5.126	0	20	CKAD	
C[C@H](NCc1ccccc1Cl)c1cccc2ccccc12	21063055	MWPCPPVHNCUGKL-AWEZNQCLSA-N	295.813	5.344	0	20	CKAD	
CCOc1ccc(N[C@@H](CC)c2ccsc2)c(C)c1	382169109	VWYIHOQPHYCTPF-HNNXBMFYSA-N	275.417	5.018	0	20	CKAD	
FC(F)c1cccc(CN2CCC[C@H]2c2cccs2)c1	470723333	OVRJCXKOYKVDGZ-AWEZNQCLSA-N	293.382	5.023	0	20	CKAD	
CSCc1ccc(N[C@@H](C)c2sccc2C)cc1	539734240	OOIJRMYYFDXNEW-LBPRGKRZSA-N	277.458	5.093	0	20	CKAD	
CC[C@H](NC(C)(C)c1cccs1)c1ccc(F)cc1F	543504591	XEPJPKYGVMMBOU-AWEZNQCLSA-N	295.398	5.002	0	20	CKAD	
CC[C@@H](S[C@H](C)c1cccnc1)c1ccc(F)cc1	575899489	ADUWNYWHWJKFEQ-MLGOLLRUSA-N	275.392	5.166	0	20	CKAD	
CCCC[C@@H](C)N(C)C(=S)Nc1cccc(C(C)C)c1	811720058	CKRMCSVMZNZSDI-CQSZACIVSA-N	292.492	5.017	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ccccc1	19878305	UITFXGRFVBIWDR-HZPDHXFCSA-N	275.395	5.252	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2ccc(C)s2)s1	49162073	NSKQBTNCUUOTMO-RYUDHWBXSA-N	279.474	5.092	0	20	CKAD	
C/C=C\c1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1	487984484	OLIQMZHTXFZKNM-FMFIFOJESA-N	284.403	5.178	0	20	CKAD	
CCc1ccc([C@@H](N[C@@H](C)c2cc(C)ccn2)C(C)C)cc1	514104585	KYIIBFOOUHBVLP-JXFKEZNVSA-N	296.458	5.000	0	20	CKAD	
c1coc(CSCc2csc(C3CCCCC3)n2)c1	514563833	WVESUKHVRXFWTC-UHFFFAOYSA-N	293.457	5.217	0	20	CKAD	
C/C=C/c1ccc(NCc2ccc(F)c3cccnc23)cc1	580003470	XFAWEVFODWCVRU-DUXPYHPUSA-N	292.357	5.019	0	20	CKAD	
Cc1noc([C@@H](C)S[C@@H](C)c2ccc3ccccc3c2)n1	604058144	JAYRBPOLPHQGBT-NWDGAFQWSA-N	298.411	5.087	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccnc(Cl)c1	776781942	BDTZPRXLKIYLLK-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
C/C=C(\CC)C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1	789628985	KVVZHJFPPBUGDL-SMCAMXITSA-N	299.414	5.089	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)C(C)(C)C)o1	36994758	UXPGWRWVYPHJDL-WMLDXEAASA-N	271.404	5.026	0	20	CKAD	
C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccc(F)cc1	37778311	ONEWYOZOOQZSJL-GFCCVEGCSA-N	298.386	5.122	0	20	CKAD	
Cc1cccc(C)c1Nc1cccc(C(F)(F)F)c1	91363926	KUSPXCQKHYOKES-UHFFFAOYSA-N	265.278	5.066	0	20	CKAD	
C[C@@H](Sc1ccccn1)c1ccc(Cl)c(Cl)c1	197305845	MWIZMDRNFLMOQB-SECBINFHSA-N	284.211	5.242	0	20	CKAD	
Cc1cccc2c1CC[C@H]2N[C@H](C)c1cc2ccccc2o1	443207305	IEALLQNEZUMNCW-RDTXWAMCSA-N	291.394	5.079	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)NCCCC(C)(C)C	523554424	RCGXJVACHOAYSR-UHFFFAOYSA-N	290.451	5.066	0	20	CKAD	
Cc1cnc([C@@H](C)Nc2ccc3oc4ccccc4c3c2)o1	536388528	YBOUZSPKMVXZSK-GFCCVEGCSA-N	292.338	5.056	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)(F)F)cc1)c1cccs1	556222390	TXFZRLBNGTVMFO-CQSZACIVSA-N	295.398	5.101	0	20	CKAD	
CSc1ccc(N[C@@H](CC(C)C)c2ccncc2)cc1	647296601	OWRHQICVIOIYOT-KRWDZBQOSA-N	286.444	5.003	0	20	CKAD	
CCC[C@H](N[C@@H](CC)c1ccc(CC)cc1)c1ccccn1	675815632	DBQNQCQUUFEROP-ICSRJNTNSA-N	296.458	5.226	0	20	CKAD	
Clc1ccc(CNc2cccc(-c3ccccc3)c2)cn1	814242047	OJAQVDFTAZXAMH-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1	37075371	KXENGQWDSCXYGH-OALUTQOASA-N	283.390	5.018	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cc2Cl)s1	49160961	ZJARQSUUXPSEMQ-QWRGUYRKSA-N	297.826	5.261	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2csc3ccccc23)s1	49592706	DLSDHNBYUTUYSY-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1ccsc1	129470810	ZYDQDHABPJDJTE-RYUDHWBXSA-N	291.485	5.100	0	20	CKAD	
CC[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(C)C	303340273	YSRNCFGHBHXCCD-JTQLQIEISA-N	288.218	5.004	0	20	CKAD	
CC[C@@H](CC1CCCC1)C(=O)Nc1cc2[nH]ccc2cc1C	444448026	JLIROOHGXKCJQP-HNNXBMFYSA-N	298.430	5.021	0	20	CKAD	
CC(C)[C@@H](C)SCc1csc(-c2ccsc2)n1	463224591	XVRHORGTWIUTLY-SNVBAGLBSA-N	283.487	5.149	0	20	CKAD	
Cc1ccc(SCc2csc(C(C)(C)C)n2)cc1	510135653	PMEHBVNWBHMFIB-UHFFFAOYSA-N	277.458	5.041	0	20	CKAD	
Cc1sccc1CNc1ccc(CCC(F)(F)F)cc1	549778510	CHIODXIDQJGSIJ-UHFFFAOYSA-N	299.361	5.164	0	20	CKAD	
Cc1ncsc1CCSCc1cccc2ccccc12	609618899	LELQHQPFFUEEEE-UHFFFAOYSA-N	299.464	5.081	0	20	CKAD	
Cc1cccc(Cl)c1NC(=O)C[C@@H](C)CC(C)(C)C	674720140	ZIMJZHQPWQIUOO-LLVKDONJSA-N	281.827	5.049	0	20	CKAD	
CSc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)cc1	35255475	SDEATGHMTGIRNL-GOSISDBHSA-N	299.483	5.286	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccccc1F	37764408	OUTFOGXAMPPZPX-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
Fc1ccccc1/C=C(\Cl)c1nc2ccccc2s1	142381256	GHYATPIGFNTDFU-LUAWRHEFSA-N	289.762	5.172	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccncc1	163614565	CKAWOLAXIFBWLJ-BEFAXECRSA-N	282.431	5.007	0	20	CKAD	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1cccnc1	194020784	QFHHJIFSQOCZAB-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
Fc1cccc(CNc2cccc(C(F)F)c2)c1Cl	386206124	SLEKOUZNOCBPRW-UHFFFAOYSA-N	285.696	5.029	0	20	CKAD	
CCc1cccnc1[C@H](C)Nc1cccc(C2CCC2)c1	462939107	DZTZYSGRIAJWNW-AWEZNQCLSA-N	280.415	5.085	0	20	CKAD	
CCCCC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1	464364459	MKGZHHIDMJYHJW-MRXNPFEDSA-N	295.426	5.063	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@@H](CC)c2ccccc2)cc1	495432539	JECNRCOTHCCNDK-BEFAXECRSA-N	299.483	5.601	0	20	CKAD	
Cc1cc(SC2CCCCC2)ccc1NC(=O)C(C)C	499749419	GVNSKBYHZOPARY-UHFFFAOYSA-N	291.460	5.014	0	20	CKAD	
Cc1cccc(SCc2csc(-c3ccco3)n2)c1	520018568	XREDCBRIRZMZHQ-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CSCc1cccc(N[C@H](C)c2ccc(F)c(F)c2)c1	539735546	GUJNCOQNYKBVQK-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
CCC/C=C\C(=O)Nc1ccc(S[C@H](C)CC)cc1C	729351400	RPKJMYJIQKMZSQ-QIAWRQBBSA-N	291.460	5.180	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2sc(C)nc2C)c1	179879306	XRLGAUXVQGNFCS-NSHDSACASA-N	292.473	5.045	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc3ccccc3o1)CC2	318930289	OVISVEQTONYVFN-KSSFIOAISA-N	291.394	5.079	0	20	CKAD	
Cc1cc([C@@H](C)Nc2cccc(C(F)(F)F)c2)cs1	381409963	XNKZVPRLXJYTRP-SNVBAGLBSA-N	285.334	5.248	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccsc1	394256752	HTSYTNXTPCKYHV-IAQYHMDHSA-N	279.836	5.203	0	20	CKAD	
CCC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccsc1	527487555	BEBHHLSUTFYICS-SJORKVTESA-N	289.419	5.006	0	20	CKAD	
Cc1cc([C@@H]2CCCN2)ccc1-c1ccccc1C(F)F	629734541	REALYRUEIPINQY-KRWDZBQOSA-N	287.353	5.024	0	20	CKAD	
CC(C)c1ccc(NC(=O)N(C)[C@H](C)c2ccccc2)cc1	642396261	YYCPGXFCPPZWDF-OAHLLOKOSA-N	296.414	5.035	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H]1CCc2sc(Cl)cc21	129484173	MBOXAODQWSUTCS-RISCZKNCSA-N	291.847	5.048	0	20	CKAD	
Cc1ccc(S[C@@H](C)c2ncc(-c3ccccc3)o2)cc1	303691370	MFOPTGQYMSIHNF-AWEZNQCLSA-N	295.407	5.503	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1cccc(Cl)c1	386118860	BWVCZPKFJHGAMM-SNVBAGLBSA-N	281.733	5.451	0	20	CKAD	
O=C(Nc1ccc(C2CCC2)cc1)c1sccc1C1CC1	470482620	OXQVHDJMQXYJKZ-UHFFFAOYSA-N	297.423	5.145	0	20	CKAD	
Cc1ccccc1NC(=O)Nc1ccc2oc(C)c(C)c2c1	481635559	UOWDBMMUYZYWHB-UHFFFAOYSA-N	294.354	5.002	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@@H](c2ncccc2C)C(C)C)c1	483141031	IZHWTYHMOKNTMI-PKOBYXMFSA-N	296.458	5.055	0	20	CKAD	
CCc1ccc(CN[C@@H](CC)c2ccc(Cl)s2)s1	524429177	NLTAGFKIRNFOJB-LBPRGKRZSA-N	299.892	5.266	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(F)cc1	532216185	ULCQNTRXIRKBPN-KUHUBIRLSA-N	283.390	5.018	0	20	CKAD	
Cc1ncsc1CS[C@H](C)c1ccc(Cl)cc1	566942345	PVQIYZAENXFLMA-SNVBAGLBSA-N	283.849	5.099	0	20	CKAD	
Cc1cc2cc(CN[C@H](C)c3cc(C)sc3C)ccc2[nH]1	584426728	OMMMHTNDEQTBNR-CYBMUJFWSA-N	298.455	5.005	0	20	CKAD	
CC(C)C[C@@H](C)CC(=O)Nc1cc(Cl)ccc1Cl	589853913	JNXOPPGQUPFMQM-SNVBAGLBSA-N	288.218	5.004	0	20	CKAD	
Cc1ccccc1SCc1ncc(-c2ccccc2F)o1	607760218	GYLYXXBAHMABBS-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)c1ccccc1	751254426	JWGFMUKVYICBJM-UHFFFAOYSA-N	299.439	5.138	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccnc(Cl)c1	776781937	BDTZPRXLKIYLLK-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1cccnc1Cl	812738215	ZABSMDGCKLRDMZ-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
CC(C)c1cnc(Br)cc1C1CCCCC1	1857791434	NYHHSGQPRQKADC-UHFFFAOYSA-N	282.225	5.015	0	20	CKAD	
O=Cc1ccc(-c2ccc(-c3cccc(Cl)c3)cc2)cc1	2325703892	NLNRDVAXGAZIRF-UHFFFAOYSA-N	292.765	5.487	0	20	CKAD	
COc1cccc([C@H](C)Nc2cccc3ccccc23)c1	19900870	FBLGDIVPTBKIFW-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
C[C@@H](SCc1cccc2ccccc12)c1cccnc1	58485680	ICRZFMRNLJPYBU-CQSZACIVSA-N	279.408	5.229	0	20	CKAD	
CC[C@@H](C)c1ccc([C@H](NCc2cc[nH]c2)C(C)C)cc1	236897742	HCPSCTMKOWLVID-DNVCBOLYSA-N	284.447	5.015	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)c1ccco1)c1ccccc1	315926705	UVVJIWVBZLCJFX-UYAOXDASSA-N	291.394	5.110	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2cccc(F)c2)C(C)(C)C)o1	484307374	YBJAWBOXWJSFJS-GUYCJALGSA-N	289.394	5.165	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccc1F)c1ccc(Cl)s1	532499921	FOXRXGFSNSMJQR-ZWNOBZJWSA-N	297.826	5.343	0	20	CKAD	
C[C@@H](c1ccccc1)c1ccc(OC(=O)OC(C)(C)C)cc1	731149824	SQFGNRBMDGEMCC-AWEZNQCLSA-N	298.382	5.152	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2cccc(CN(C)C)c2)c1	863988850	GUFCKAULOKDEEQ-MRXNPFEDSA-N	296.458	5.045	0	20	CKAD	
Cc1cccc2c1[C@@H](Nc1ccc(COC(C)C)cc1)CC2	863994721	AXOFWMDXYWBDCG-IBGZPJMESA-N	295.426	5.019	0	20	CKAD	
CCc1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)cc1	19231513	RLPUWJNTUWBXOM-LBPRGKRZSA-N	291.341	5.024	0	20	CKAD	
C[C@H](SC1=Nc2ccccc2CS1)c1ccccc1	253491808	NVSDCTGWXZLMFR-LBPRGKRZSA-N	285.437	5.415	0	20	CKAD	
C[C@H](N[C@H](c1cccs1)C1CC1)c1ccc2c(c1)CCC2	480276447	HPKZFVJGYVMCOK-DJJJIMSYSA-N	297.467	5.039	0	20	CKAD	
CCC(CC)[C@@H](NCc1ccc(C)s1)c1cccs1	517547832	VCXFDWFRXXHKKS-MRXNPFEDSA-N	293.501	5.385	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2ccc(Cl)cc2)c1	523651763	GEURIUYSMLTTIQ-OLZOCXBDSA-N	289.806	5.221	0	20	CKAD	
CC(C)N(C(=O)c1ccc(C2CCCCC2)cc1)C1CCC1	525380338	KOOZWEFPHNNBFU-UHFFFAOYSA-N	299.458	5.137	0	20	CKAD	
CCSCc1cccc(N[C@H](C)c2ccc(C)o2)c1	539738578	JLNLSAZHAOJSNN-CYBMUJFWSA-N	275.417	5.014	0	20	CKAD	
CC(C)c1ccc(C[S@@](=O)[C@@H](C)C(C)C)c(C(C)C)c1	610294483	ITVDGGCFOMLBNJ-MGPUTAFESA-N	294.504	5.227	0	20	CKAD	
CCOCCCS[C@H](C)c1cccc2ccccc12	610315024	KQUFMJILCBZPHC-CQSZACIVSA-N	274.429	5.061	0	20	CKAD	
CC(C)C[C@@H](Nc1ccc(OC(C)C)cc1)c1ccccn1	776811596	OPJBUDNPRIIEGN-LJQANCHMSA-N	298.430	5.068	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1ccc(Cl)nc1	834880609	BYJRWIGZHDNGJP-JTQLQIEISA-N	296.748	5.020	0	20	CKAD	
CC(C)c1ccccc1NCc1ccc(OC(F)F)cc1	21499583	DVNJZSTZZJYBAI-UHFFFAOYSA-N	291.341	5.024	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1	37218920	LLOYMUWLYWOUJF-QFBILLFUSA-N	282.431	5.054	0	20	CKAD	
Cc1ccc(CNc2cccc(-c3nccs3)c2)c(C)c1	37778375	SBWQXUQKYQBTHZ-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)C)cc1)c1ccc(OC)cc1	315384462	DLBBWZMQLUEGAD-HXUWFJFHSA-N	297.442	5.060	0	20	CKAD	
Cc1nc(C(C)C)oc1CSCc1ccccc1Cl	436474490	JSYABDRKMHDXPR-UHFFFAOYSA-N	295.835	5.193	0	20	CKAD	
CC(C)c1ccc([C@H](C)S[C@H](C)c2cnccn2)cc1	467298698	GAJIIIMAAISLJQ-UONOGXRCSA-N	286.444	5.155	0	20	CKAD	
CC(C)c1nc([C@@H](C)Nc2ccc(Cl)cc2)cs1	469789068	CFQVUYFUJQNBQV-SNVBAGLBSA-N	280.824	5.093	0	20	CKAD	
Cc1cocc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	527919701	JNEUJFRYJBOXQE-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
C[C@H](SCc1nc(C2CC2)cs1)c1ccccc1F	543151271	JYNPFNZIGQXPQZ-JTQLQIEISA-N	293.432	5.154	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(F)c2ccccc12)c1cccs1	550612582	OBESCPFIJGCUCD-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
Cc1cc(N2CCCCCC2)ccc1N[C@H](C)c1ccco1	552320973	IKRYJBAXMUILEJ-MRXNPFEDSA-N	298.430	5.142	0	20	CKAD	
C[C@H](CCCC(F)(F)F)Nc1ccc(C2CC2)cc1	681395290	BCCKUAISERXBEX-LLVKDONJSA-N	271.326	5.097	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2csc3ccccc23)c(C)o1	774172977	SPFMDHRKUDQDBB-CHWSQXEVSA-N	299.439	5.523	0	20	CKAD	
O=Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1	1857775970	HLDHFYQKIVOOBV-UHFFFAOYSA-N	292.765	5.487	0	20	CKAD	
C[C@H](Nc1nc2ccccc2s1)c1cc2ccccc2o1	26759537	LALVBTLEIUFTRA-NSHDSACASA-N	294.379	5.216	0	20	CKAD	
CCC[C@H](NCc1cc2ccccc2o1)c1ccccc1	35013152	JOHICQHXSNHVGH-SFHVURJKSA-N	279.383	5.064	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C(C)(C)C)o1	36994755	UXPGWRWVYPHJDL-PBHICJAKSA-N	271.404	5.026	0	20	CKAD	
C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccs1	37235267	OYUBSXUAPGKCTG-ZBEGNZNMSA-N	291.847	5.203	0	20	CKAD	
CC[C@@H](N[C@H](C)c1sccc1C)c1ccc(C)cc1	70090922	OPVKBXJRYLDXOT-GDBMZVCRSA-N	273.445	5.167	0	20	CKAD	
CC(C)c1cnc(CNc2ccc(-c3ccccc3)cc2)o1	85270150	KHKDMHOVSSHRDM-UHFFFAOYSA-N	292.382	5.077	0	20	CKAD	
CSc1ccc(N[C@@H](C)c2ccc3ccccc3n2)cc1	182815982	UNIDIKZDDMKVHO-ZDUSSCGKSA-N	294.423	5.130	0	20	CKAD	
C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc2ccccc2c1	219865417	VPYQXJBGMFHXHW-CQSZACIVSA-N	286.378	5.494	0	20	CKAD	
Cc1cccc([C@@H]2CCCCCN2C(=O)C2CCCCC2)c1	303687071	OGCTUBMGGIAADA-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CCCC[C@@H](C)C(=O)Nc1cccc(C(F)F)c1Cl	409949803	DUWVHDRIKVOTID-SECBINFHSA-N	289.753	5.042	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](CC(F)F)c2ccccc2)cs1	421884263	UGWZCKAFOUYFLL-WFASDCNBSA-N	295.398	5.104	0	20	CKAD	
CCSCc1cccc(N[C@H](C)c2ccc(F)cc2)c1	439601289	KTUVGBXJFAPPKP-CYBMUJFWSA-N	289.419	5.252	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1ccc(Cl)cn1	480681303	MEUDFQBDPJZXFS-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CC(C)c1ccccc1NC(=O)N[C@H](C)CCC(C)(C)C	523007005	XLXTXUJJDQESOS-CQSZACIVSA-N	290.451	5.146	0	20	CKAD	
C[C@@H](N[C@H](CC(C)(C)C)c1ccc(F)cc1)c1ccco1	531938003	ZEECZENRJJRDOF-CZUORRHYSA-N	289.394	5.247	0	20	CKAD	
CC[C@H](N[C@H](c1cccs1)C1CC1)c1ccc(F)cc1	531942574	LQOUVMOWPHNJLN-RDJZCZTQSA-N	289.419	5.079	0	20	CKAD	
CCc1ccc([C@H](CC)N[C@H](C)c2ccncc2CC)cc1	537013089	QJIYRNJGLNETLV-QRWLVFNGSA-N	296.458	5.008	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(CC(F)(F)F)cc2)s1	537450657	SVRICBDOZXIYOF-NSHDSACASA-N	299.361	5.334	0	20	CKAD	
CC(C)C[C@@H](NCCCCC(F)(F)F)c1cccs1	543487940	XDUFLKSJVQPXRB-GFCCVEGCSA-N	293.398	5.158	0	20	CKAD	
CC(C)(C)CCCCC(=O)N1CCC[C@@H]1c1ccsc1	557429428	ZSETTYRYSMFDDH-OAHLLOKOSA-N	293.476	5.018	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(CC(F)(F)F)cc2)c(C)o1	683693257	SRQIIPLMIJUTHM-NSHDSACASA-N	297.320	5.174	0	20	CKAD	
CC[C@@H](Nc1cccc(SC(F)F)c1)c1ccccc1	690206199	BHQSKCOIJUZBOC-OAHLLOKOSA-N	293.382	5.565	0	20	CKAD	
Cc1cnc(CSc2ccc(C3CCCCC3)cc2)cn1	749458198	XQHPONIRWDYQAH-UHFFFAOYSA-N	298.455	5.125	0	20	CKAD	
CCC/C=C\C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1	920744050	KPASILYJBKBGOJ-XCHKQJEOSA-N	299.414	5.089	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1N[C@@H](C)c1ncco1	926080580	ZJWPFAJVCQFIOE-LBPRGKRZSA-N	290.432	5.047	0	20	CKAD	
CC[C@H](NCc1cc(C)ccc1F)c1cccc(Cl)c1	227283727	PFEAPYXXHUQSGO-KRWDZBQOSA-N	291.797	5.028	0	20	CKAD	
C[C@H](Nc1cccc2ccncc12)c1csc(Cl)c1	230412879	SNXQYSBFPLBYKX-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1nccc2ccccc12)c1ccccc1	289533486	BIAPGBUFWMANSH-HNAYVOBHSA-N	290.410	5.037	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)c1cccnc1	314167997	KWDWIOIXKLNERV-JXFKEZNVSA-N	294.442	5.054	0	20	CKAD	
CO[C@@H](C)c1nc(CSC2CCC(C)(C)CC2)cs1	468387349	HLJHJTYTBORCTG-NSHDSACASA-N	299.505	5.053	0	20	CKAD	
Cc1c([C@H](C)N[C@H](C)CCC(F)(F)F)oc2ccccc12	477849838	BLQZVUKNILIJDE-PWSUYJOCSA-N	299.336	5.123	0	20	CKAD	
C[C@H](SCc1nccs1)c1cccc2ccccc12	532618420	DKBFSLXKWQIFOH-LBPRGKRZSA-N	285.437	5.291	0	20	CKAD	
C[C@@H](CCC(F)(F)F)Nc1cccc2ccsc12	543414008	LCRFHEOFKYOMLF-VIFPVBQESA-N	273.323	5.044	0	20	CKAD	
C[C@@H]1C[C@@H]1c1ccc(CN[C@H](c2ccccc2)C2CCC2)o1	591697647	FAQIIDUKGCAXNG-HEFCMCLBSA-N	295.426	5.034	0	20	CKAD	
O=C(Nc1ccc2ccccc2c1)c1cccc(C(F)F)c1	729165896	RBQSYNRSOWQNFC-UHFFFAOYSA-N	297.304	5.030	0	20	CKAD	
CC[C@H](N[C@H]1CCCc2occc21)c1cccc(Cl)c1	20009516	IWWAGVJIXPTMJZ-HOTGVXAUSA-N	289.806	5.051	0	20	CKAD	
CC(C)c1cccc(NC(=O)c2sccc2C(C)C)c1	48877697	ZNLMWXBWDWULFN-UHFFFAOYSA-N	287.428	5.247	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)C(C)C	472671294	PHHMVRZOIZEMCC-OAHLLOKOSA-N	289.463	5.383	0	20	CKAD	
Clc1ccc(-c2ccccc2)cc1NCc1ccccn1	475356865	WWMNGIHGBSPTBB-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
CCCC[C@@H](C)C(=O)Nc1ccccc1-c1cccs1	501558075	BFXFGYNLQHAESJ-CYBMUJFWSA-N	287.428	5.180	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccco1	531708007	WUMGAMOQILCWLM-ACJLOTCBSA-N	287.378	5.001	0	20	CKAD	
CCC[C@H](Nc1ccc(O[C@H](C)CC)cc1)c1cccnc1	756815357	KZUBKTMBRSUKND-BEFAXECRSA-N	298.430	5.212	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2ccccc21)c1ccc(Cl)s1	35286152	RKWJKVJVUKJJTH-SMDDNHRTSA-N	291.847	5.130	0	20	CKAD	
CCC/C=C/C(=O)Nc1ccc(C(C)C)cc1C(C)C	63782400	RBGCWVQBNGOQRI-CMDGGOBGSA-N	273.420	5.228	0	20	CKAD	
Cc1ccc([C@H](C)NCc2cccc(C(F)F)c2)c(C)c1	131820694	XSNDVQRPYZZTRU-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
CC(C)(C)C12CC3(Br)C[C@](C)(C1)C[C@@](C)(C3)C2	221836644	UQPGQBYKRTVXOR-PJPHBNEVSA-N	299.296	5.547	0	20	CKAD	
COc1ccc2cc([C@@H](C)Nc3ccc(C)cc3)ccc2c1	314058156	QIWKTIOWPCJINJ-OAHLLOKOSA-N	291.394	5.330	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccccc2C)C2CC2)c(C)o1	447534713	ZKEUXMJZMGDYHF-IFXJQAMLSA-N	283.415	5.007	0	20	CKAD	
CCCc1ccccc1NC(=O)C[C@H](C)c1ccccc1C	522533621	PLAKZCCSCHAZJA-INIZCTEOSA-N	295.426	5.080	0	20	CKAD	
CSc1cccc(N[C@H](C)c2nc3ccccc3o2)c1C	537570675	FTVXSAORYPWALT-GFCCVEGCSA-N	298.411	5.031	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2csc3ccccc23)cc1	730019879	UJYCCYMZEHYIOU-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/C(C)(C)C	731897135	RRVMHDQFIXTPPV-VAWYXSNFSA-N	287.447	5.474	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)Nc1cccc(C(F)F)c1	742612851	IVQGKXWFGQFAGK-GFCCVEGCSA-N	283.362	5.169	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1)c1csc2ccccc12	743475639	UHUCKYCCGZUJLJ-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
c1cc(CSC2CCCC2)cc(NCc2ccoc2)c1	770585410	FKIKMNBGBQQENL-UHFFFAOYSA-N	287.428	5.068	0	20	CKAD	
CC[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1	50198380	SIYVCRJRVIFGHQ-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
Cc1c([C@@H](C)N[C@H](C)c2ccc(F)cc2)oc2ccccc12	195615581	BHIJMZNFKUOMFL-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccc(F)cc1	314412762	WHYGJOMGSKSKBW-GJZGRUSLSA-N	293.385	5.391	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccc(F)cc1)C(C)C)c1ccsc1	382083571	FXBFDHKZRDSIEG-IAGOWNOFSA-N	291.435	5.325	0	20	CKAD	
CCC[C@H](Nc1cccc(COCC)c1)c1ccsc1	443087687	QPKMLSJYUSGADW-KRWDZBQOSA-N	289.444	5.238	0	20	CKAD	
C[C@H](c1cccc(Cl)c1)N(C)CCCCC(F)(F)F	443636063	BCKODHWVHMYIPO-LLVKDONJSA-N	293.760	5.065	0	20	CKAD	
Cc1ccc([C@@H](N[C@H](C)c2cc(C)c(C)o2)C2CC2)cc1	502391979	QQDFZHGAWSWPAE-AUUYWEPGSA-N	283.415	5.007	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C)s1	503903546	QSKHGWPOZHGMSL-OLZOCXBDSA-N	291.485	5.190	0	20	CKAD	
CC[C@@H](Sc1nc(C)c(C)o1)c1ccc(Cl)cc1	522061890	DISFEAXFZJGRJM-CYBMUJFWSA-N	281.808	5.188	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCCC1)c1ccsc1	532218221	LVQXGOJQHVYITM-RDTXWAMCSA-N	285.456	5.330	0	20	CKAD	
Clc1cscc1CN[C@@H](c1ccccc1)C1CCC1	771949706	XPYWASHJMDFENS-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
CCC[C@@H](NCc1cscc1Cl)c1ccccc1	775775248	AXZNQAMQUFDULB-OAHLLOKOSA-N	279.836	5.033	0	20	CKAD	
C[C@H](Nc1ccc(C2CCC2)cc1)c1ccc(Cl)nc1	786970174	NZRXOGBRVBUEEF-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
CC[C@H](N[C@@H]1CSCc2ccccc21)c1ccc(C)cc1	37296053	PVVVWMMDONEVAM-RBUKOAKNSA-N	297.467	5.024	0	20	CKAD	
CC(C)(C)c1ncc(CNc2ccc3ccccc3c2)s1	59181073	ZNNSHXKTJVLKGD-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1cc2ccccc2s1	121984944	JUDQZLSZAXNFEE-NEPJUHHUSA-N	287.453	5.375	0	20	CKAD	
Cc1nnc([C@@H](C)S[C@H](C)c2ccc3ccccc3c2)o1	125325396	SJTNONSYXHWRBN-VXGBXAGGSA-N	298.411	5.087	0	20	CKAD	
Cc1cccc([C@H](N[C@@H](C)c2ccco2)C(C)(C)C)c1	484288780	DVWLSVOFWDOHRW-YOEHRIQHSA-N	271.404	5.026	0	20	CKAD	
C[C@H](Nc1cccc(Cl)c1)c1nccc2ccccc12	519484273	DMWWJDBJRKSLDU-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
CC[C@H](N[C@H](C)c1sccc1C)c1cc(F)ccc1F	539081238	IEDMDLSIKKHMNY-ABAIWWIYSA-N	295.398	5.137	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2ccc(C(C)C)s2)c(C)c1	546153638	PKBZBKVEWITSFT-UHFFFAOYSA-N	287.428	5.049	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1cccc(F)c1)c1ccc(F)cc1	36968305	VQCXFNQIECOJPC-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1cccs1	37119162	FMHVCAVSBAHOMP-LRDDRELGSA-N	291.435	5.325	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sccc21)c1ccc(Cl)cc1	61324950	LLRPMOXQMSZKOP-ABAIWWIYSA-N	291.847	5.130	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CC1)c1csc(Cl)c1	230407635	OHQZJMOFJHWKTL-ZBEGNZNMSA-N	291.847	5.203	0	20	CKAD	
CC[C@H](N[C@@H](CC(F)F)c1ccccc1)c1ccccc1	421880924	QUXUBWXFCIQQLF-IRXDYDNUSA-N	289.369	5.124	0	20	CKAD	
COc1ccsc1[C@@H](C)Nc1csc2ccccc12	471605177	KMAWBWFIWASLER-SNVBAGLBSA-N	289.425	5.145	0	20	CKAD	
Cc1cc(N[C@H](C)c2nc3ccccc3o2)ccc1C1CC1	478424147	ZUVRKEJZODRMSW-CYBMUJFWSA-N	292.382	5.187	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccco1)c1ccc(Cl)cc1F	543799881	WYSUYYLAWZBSRB-MEDUHNTESA-N	295.785	5.120	0	20	CKAD	
CCc1ccc([C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1	589892822	PNYKJAHVYWONQP-OAHLLOKOSA-N	295.426	5.115	0	20	CKAD	
Cc1cccc(NCc2ccccc2CC(F)(F)F)c1C	630061964	JDTPHEXWCKVTPA-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
CC[C@H](NCc1cccs1)c1cccc2ccccc12	682130139	ALGJXPNYIRWDHZ-SFHVURJKSA-N	281.424	5.142	0	20	CKAD	
C[C@H](Nc1ccc(SC(C)(C)C)cc1)c1cscn1	777673217	INUKDTOUBYCEKP-NSHDSACASA-N	292.473	5.207	0	20	CKAD	
Clc1nc(CSc2cccs2)cc2ccccc12	787490094	KDAWRXSIZWWTFT-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
C[C@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1Cl	21011789	KSWSMNNWUIRXRX-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2ccc3ccccc3c2)s1	50101751	LCAZKLVDFURFTM-LBPRGKRZSA-N	282.412	5.086	0	20	CKAD	
Cc1nc(S[C@H](C)c2ccccc2)n(CC(C)C)c1C	302974656	RSOMCTQRWYLSLD-OAHLLOKOSA-N	288.460	5.009	0	20	CKAD	
CC[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1	303537920	SRYDBEPWNIWJFM-ROUUACIJSA-N	285.818	5.068	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1cccc(O)c1)C(C)(C)C	442797074	WPXPTNUQJBXESJ-DNVCBOLYSA-N	297.442	5.139	0	20	CKAD	
CC[C@@H](Nc1ccc2[nH]c(C)cc2c1)c1ccc(F)cc1	523389207	ITLZRPLYRDLLNY-QGZVFWFLSA-N	282.362	5.179	0	20	CKAD	
CC(C)c1ccc(NC(=O)CCC2CC2)c(C(C)C)c1	524491011	OFQJYGMXIAMUOU-UHFFFAOYSA-N	273.420	5.062	0	20	CKAD	
Clc1ccc(NCc2cccc(-c3cccnc3)c2)cc1	535835820	QXFJLXYBNYFDPG-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
C[C@H](SCc1cccnc1)c1ccc(C(F)(F)F)cc1	569524976	OWJUDSAOJUBQLR-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
c1cc(CSC2CCCC2)cc(NCc2ccco2)c1	610911565	XLMUIEGBVFGURB-UHFFFAOYSA-N	287.428	5.068	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1coc2ccccc12)c1ccccn1	924946616	ONDGIOYGIKFCQF-KSSFIOAISA-N	294.398	5.020	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2)o1	36960327	RLOBZJIUFSDIGM-NWDGAFQWSA-N	297.320	5.019	0	20	CKAD	
CC(C)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1	36967365	JTQUEKHPVPLASS-MJGOQNOKSA-N	297.467	5.210	0	20	CKAD	
Cc1ccc(CNc2cccc(-c3nccs3)c2)cc1C	37778403	MQYOVPVSOHBUQN-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2)c(C)s1	94826815	NEKRALVUGGUSIH-WDEREUQCSA-N	295.398	5.055	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2ccc(C(C)C)cc2)s1	104308064	YECJNTWEWFFHOT-LBPRGKRZSA-N	274.433	5.056	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H]2CCSc3ccccc32)c1	183104175	BHMLYAKHZLLALT-SUMWQHHRSA-N	299.439	5.043	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(OC(C)C)c1)c1ccccc1	302987658	WSRYOSUBCDUACH-OXJNMPFZSA-N	297.442	5.276	0	20	CKAD	
CC(C)(C)c1cnc(CNc2cccc3ccccc23)s1	447898631	XMCUTNWLDHGPSE-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H]2CC(C)(C)Cc3occc32)c1	498649523	QUTLLLYIYMNBIE-CXAGYDPISA-N	299.414	5.113	0	20	CKAD	
Cc1ccsc1[C@H](C)NC1(c2ccc(Cl)cc2)CC1	519770761	XIEDDXALQLFVCV-LBPRGKRZSA-N	291.847	5.050	0	20	CKAD	
Cc1ccccc1[C@H](CC(C)C)N[C@H](C)c1ccoc1	531972755	GUOZHTCMWXPAOE-QAPCUYQASA-N	271.404	5.026	0	20	CKAD	
CC(C)C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cccs1	540156404	OUHPXCCYYBOODS-QWHCGFSZSA-N	287.419	5.003	0	20	CKAD	
CC[C@H](SCc1cnc(C)s1)c1ccc(F)cc1F	610009103	VADSUFWCRAQWSP-AWEZNQCLSA-N	299.411	5.114	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(C)c(-c3ncco3)c2)c(C)o1	683693368	WNWVSXVZVZKJSH-CYBMUJFWSA-N	296.370	5.033	0	20	CKAD	
CC(C)Sc1ccccc1NCc1cc2ccccc2[nH]1	683928814	VUTMCNDCDSOPFN-UHFFFAOYSA-N	296.439	5.281	0	20	CKAD	
COCc1ccc(N[C@H](CC(C)C)c2cccs2)cc1	774485335	NFANSPJIICRIJQ-MRXNPFEDSA-N	289.444	5.094	0	20	CKAD	
CC(C)c1ccc(NCc2ccnc(Cl)c2Cl)cc1	811468280	KLRUOXQEHYQBJK-UHFFFAOYSA-N	295.213	5.124	0	20	CKAD	
CC(C)c1cnc(CNc2cccc(-c3ccccc3)c2)o1	814241948	MNNWEWFQOSRQKF-UHFFFAOYSA-N	292.382	5.077	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1c(C(C)C)cccc1C(C)C	920213866	CCIOQLZXMBSYFF-NTCAYCPXSA-N	287.447	5.618	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cccs1	36994701	KHGUHDHKLWBGSY-BBRMVZONSA-N	273.445	5.186	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1cccs1	41640158	ARULPRHEWIUBEG-QAPCUYQASA-N	297.423	5.171	0	20	CKAD	
CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1cc2ccccc2o1	437098727	PEHKIAMNQZZJAI-YPMHNXCESA-N	299.336	5.060	0	20	CKAD	
Fc1cncc([C@@H](Nc2ccc(C3CCC3)cc2)C2CC2)c1	467362878	USHUUTYATDKLCI-IBGZPJMESA-N	296.389	5.051	0	20	CKAD	
CCCCN(C(=O)c1cc2ccccc2o1)C1CCCCC1	561708162	HCVYLQOXYXOHJP-UHFFFAOYSA-N	299.414	5.008	0	20	CKAD	
c1ccc(CNc2cccc(COC3CCCCC3)c2)cc1	600613436	NIQYWSUBDLQXQY-UHFFFAOYSA-N	295.426	5.148	0	20	CKAD	
C[C@H](SCc1cccc2ccccc12)c1cccnc1	604502205	ICRZFMRNLJPYBU-AWEZNQCLSA-N	279.408	5.229	0	20	CKAD	
C[C@H](Nc1ccc(C2CC2)cc1)c1cnn(C2CCCC2)c1	669703229	ROSQOSCFXAOZAV-AWEZNQCLSA-N	295.430	5.049	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1ccc(-c2ccccc2)o1	669850955	QASYHZKGYKNPRD-KGLIPLIRSA-N	297.423	5.420	0	20	CKAD	
Cc1cc2cc([C@@H](C)N[C@H](C)c3ccsc3)oc2cc1C	669851109	VDCLBXMXPGMGTO-ZIAGYGMSSA-N	299.439	5.523	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1	19991735	GUQOHVPOHGBFSD-UONOGXRCSA-N	273.807	5.060	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cccs1)c1ccc(F)cc1	49528958	MDWCFAISMBQANU-GJZGRUSLSA-N	277.408	5.079	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1F	303344546	PPJYCMXBUIDJPR-OAHLLOKOSA-N	293.385	5.138	0	20	CKAD	
CCC[C@H](NCc1coc2ccccc12)c1ccsc1	340428159	RTHRPZAYRURTNZ-INIZCTEOSA-N	285.412	5.125	0	20	CKAD	
CSc1ccc(C)c(NCc2ccc(C(F)F)cc2)c1	460766750	LYDCTZMGUFSGTG-UHFFFAOYSA-N	293.382	5.267	0	20	CKAD	
C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccc2ccccc2c1	540156736	JVVQJMCLPAMARC-DYVFJYSZSA-N	289.369	5.068	0	20	CKAD	
CSCc1cccc(N[C@@H](C)c2cc(F)ccc2F)c1	540832168	IUNKYPDUBIMHDI-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
Cc1ccc(CN[C@@H](CC(C)C)c2cccs2)cc1F	596644662	UEUOXJLCCGBQSD-INIZCTEOSA-N	291.435	5.073	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(-c2ccccc2)o1)c1ccsc1	669850956	QASYHZKGYKNPRD-UONOGXRCSA-N	297.423	5.420	0	20	CKAD	
CC[C@@H](NCc1cc2ccccc2o1)c1ccc(Cl)cc1	35257455	JJQAYWUFGPCPSP-QGZVFWFLSA-N	299.801	5.327	0	20	CKAD	
Cc1ccc(CN[C@H](CC(C)(C)C)c2ccccc2)s1	37128427	WYNOWPAXTUYWEY-QGZVFWFLSA-N	287.472	5.324	0	20	CKAD	
C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)c1cccs1	37235519	AWBSKDQEHFWVLQ-WCQYABFASA-N	299.361	5.092	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccsc1	61360767	DRAMQRXWBLTHLV-KBPBESRZSA-N	281.424	5.313	0	20	CKAD	
CC[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccsc1	382078958	DUJQNHKWFBQBFS-AWEZNQCLSA-N	298.411	5.330	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc3cccc(F)c3o2)cc1	474101714	YQLHRHDZAVJEMX-ZIAGYGMSSA-N	297.373	5.292	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1ccc(Cl)cn1	480308811	HXKVFMHRXSNNAV-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
Fc1cccc(-c2nc(CSC3CCCCC3)co2)c1	503887553	ATIUDFDPTZFDTN-UHFFFAOYSA-N	291.391	5.047	0	20	CKAD	
CC[C@@H](S[C@H](C)c1ncc(C)o1)c1ccc(F)cc1	537749189	YLWZCQOOFFVTGK-BXUZGUMPSA-N	279.380	5.068	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2ccc(C)c(C)c2)c1	538636373	SXJYXRDUYVTGOL-JKSUJKDBSA-N	283.415	5.184	0	20	CKAD	
Cc1ccccc1[C@H](C)CC(=O)Nc1ccccc1C(C)C	604694687	SPJCDCJGSABKRE-MRXNPFEDSA-N	295.426	5.251	0	20	CKAD	
CC[C@H](N[C@@H]1CSCc2ccccc21)c1cccc(C)c1	671744164	MARQZPXTVMYGQX-RBUKOAKNSA-N	297.467	5.024	0	20	CKAD	
Cc1ccccc1NC(=S)Nc1cccc2ccsc12	752790302	PLCNGGWQPPBVHE-UHFFFAOYSA-N	298.436	5.019	0	20	CKAD	
CCC[C@@H](Nc1ccc(O[C@@H](C)CC)cc1)c1cccnc1	756815362	KZUBKTMBRSUKND-HNAYVOBHSA-N	298.430	5.212	0	20	CKAD	
COc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1Cl	21012825	SNVYVEATQZCQOE-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2Cl)s1	21515851	BZELGDVACOUOQU-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
CCO[C@H](C)c1nc(-c2cc(C)c(C)c(C)c2C)cs1	437646725	BCEHZHQXFVZEBV-CQSZACIVSA-N	289.444	5.141	0	20	CKAD	
Cc1cc(C)cc(CNc2ccc(CC(F)(F)F)cc2)c1	462727260	CDTRYQZLYLJBOZ-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
C[C@@H](CSCc1cccc(C(F)F)c1)C(F)(F)F	479602912	YSQBLTNYNQTDGV-QMMMGPOBSA-N	284.293	5.056	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccccc2C)cc1-c1ncco1	537537892	VFHVUTOYHGXYAE-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
CSCc1ccc(N[C@H]2CCCc3sccc32)cc1	539733428	DGAALJBRKMVABI-HNNXBMFYSA-N	289.469	5.101	0	20	CKAD	
C[C@H]1CCC[C@H](C(=O)Nc2ccccc2-c2cccs2)C1	607453190	KWFCAUJLLWSAIU-KBPBESRZSA-N	299.439	5.180	0	20	CKAD	
C[C@H]1CCC[C@@H](SC2=Nc3ccccc3CS2)C1	735414267	MXXXISGEQBQORO-WCQYABFASA-N	277.458	5.233	0	20	CKAD	
CC[C@H](SC1=N[C@@H](C)CS1)c1ccc(Cl)cc1	760184736	VVEAVRPFMWAUOX-CABZTGNLSA-N	285.865	5.016	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2csc3ccccc23)o1	776724153	YSMNFZKWRFZPPJ-STQMWFEESA-N	299.439	5.469	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccncc1	177368836	LMXXZWMHHGJXJY-YWZLYKJASA-N	290.410	5.037	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@H](C)c1cc2ccccc2s1	271612905	XEEQOUZKPNTSKG-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Cc1c([C@H](C)N[C@@H]2CCc3ccccc32)oc2ccccc12	315096516	BOTXIZLNMBYXMF-KBXCAEBGSA-N	291.394	5.079	0	20	CKAD	
FC(F)c1ccc(CNc2cccc3ccsc23)cc1	386254676	STYBCTXDQRVSEI-UHFFFAOYSA-N	289.350	5.451	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)C2CCCC2)cc1	489491032	VFBOKADOMNZKTK-IBGZPJMESA-N	299.458	5.054	0	20	CKAD	
Cc1cccc([C@@H](N[C@H](C)c2ccoc2)C(C)(C)C)c1	531721527	JWNMVYYQCLPBTC-RHSMWYFYSA-N	271.404	5.026	0	20	CKAD	
CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1	538115255	OVHQMKTWQQLDBA-CVEARBPZSA-N	296.458	5.179	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2cc3ccccc3o2)c1	539650253	IVFDARCIJRQBFG-CQSZACIVSA-N	295.382	5.142	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H]1C[C@@H](C)c2ccccc21	564222392	VDENAPDRYWCLFB-HBUWYVDXSA-N	297.467	5.308	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2ccsc2)cc1F	669850804	KQXYOBVHGLKLQV-GHMZBOCLSA-N	295.448	5.021	0	20	CKAD	
CC[C@H](C)CCCCC(=O)N1CCC[C@@H]1c1cccs1	680019203	YPSPEUSIGIPSTM-LSDHHAIUSA-N	293.476	5.018	0	20	CKAD	
CC(C)c1ccsc1C(=O)N(C)C1CCCCCCC1	748640281	FBBHIMCCQQRCFT-UHFFFAOYSA-N	293.476	5.056	0	20	CKAD	
CC[C@H](C)N(C)C(=O)Nc1ccc(C(C)C)cc1C(C)C	47503671	CNFKBYJJFZOFMM-AWEZNQCLSA-N	290.451	5.196	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1nccs1)c1ccccc1	80267688	VDXNVXGWXCWXHL-ZBFHGGJFSA-N	288.460	5.115	0	20	CKAD	
CCc1nc2cc(N[C@@H](CC)c3ccsc3)ccc2o1	382075880	DDJLQHHPTJZQOR-ZDUSSCGKSA-N	286.400	5.015	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2c(F)cccc2Cl)oc1C	502459105	ZNBIESMLKYDQOF-WDEREUQCSA-N	295.785	5.101	0	20	CKAD	
C[C@@H](SCc1cccnc1)c1ccc(C(F)(F)F)cc1	569524975	OWJUDSAOJUBQLR-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
Cc1oc(C(C)C)cc1C(=O)Nc1ccc2occ(C)c2c1	579816532	JDGPIWGHXLMYAM-UHFFFAOYSA-N	297.354	5.018	0	20	CKAD	
CSc1ccc(CNc2cccc(C(F)F)c2)s1	583410427	NJVCHUJYZCXQRO-UHFFFAOYSA-N	285.384	5.020	0	20	CKAD	
CC[C@@H](N[C@H]1CSCc2ccccc21)c1cccc(C)c1	671744162	MARQZPXTVMYGQX-MOPGFXCFSA-N	297.467	5.024	0	20	CKAD	
CC(C)c1cnc(CNc2ccccc2-c2ccccc2)o1	748452968	QMVJVGOMVHKPEL-UHFFFAOYSA-N	292.382	5.077	0	20	CKAD	
CCc1ccc([C@H](C)Nc2cccc(N3CCCCC3)c2)o1	776869964	NMGGMPSTLATPKL-HNNXBMFYSA-N	298.430	5.005	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccccc2C(C)C)s1	783317191	UYXYWYLBHSIISP-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
CC1=CC[C@@H](Nc2cccc(C3SCCS3)c2)CC1	788706980	WSIJHOVACJRZDF-CQSZACIVSA-N	291.485	5.076	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(F)c2)s1	212714709	HZCPCRXVQVCJEU-WDEREUQCSA-N	297.826	5.261	0	20	CKAD	
C[C@@H](Nc1ccc2ncsc2c1)c1ccccc1Cl	226367347	GKHOSICKMKYWRR-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1ccccc1	387353707	YVFRRTRNJHFZNK-JXFKEZNVSA-N	297.442	5.276	0	20	CKAD	
Cc1cccc([C@@H](C)NCc2cc3cc(F)ccc3o2)c1C	462751258	VUABIINYZITRHY-CQSZACIVSA-N	297.373	5.040	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2csc3ccccc23)s1	495396397	OMAGFIGQMNHORS-SNVBAGLBSA-N	288.441	5.148	0	20	CKAD	
CC(C)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1	531522299	IQRJROAVWACIOG-UHFFFAOYSA-N	297.185	5.001	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CC1)c1cc2c(s1)CCC2	532452129	SRLNTICDQVFYPC-BFUOFWGJSA-N	297.467	5.039	0	20	CKAD	
Cc1c(COC(C)(C)C)cccc1N[C@@H](C)c1ccoc1	540753692	NDACWNLLJDAPFC-AWEZNQCLSA-N	287.403	5.076	0	20	CKAD	
CC[C@@H](SCc1c(C)noc1C)c1ccc(Cl)cc1	608858793	QNZZUUXTKHUPAK-OAHLLOKOSA-N	295.835	5.329	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1F)c1ccccc1Cl	21509204	IZLIRAAZXJUPTE-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1nccs1	80263204	KKCFQGPKCZXTQQ-GUYCJALGSA-N	296.439	5.098	0	20	CKAD	
CC1(CC(=O)Nc2ccc(Cl)cc2-c2ccccc2)CC1	469813401	FBMFRUAJTURKQA-UHFFFAOYSA-N	299.801	5.136	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1cccs1)c1ccc(F)cc1F	484524688	XUPHHQTZARMVEN-BZNIZROVSA-N	295.398	5.074	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCCN2C(=O)CC2CCC2)cc1	489454031	BVTSXBYSCBLTED-LJQANCHMSA-N	299.458	5.054	0	20	CKAD	
C[C@@H](SCc1nc(C2CC2)cs1)c1ccccc1F	543151272	JYNPFNZIGQXPQZ-SNVBAGLBSA-N	293.432	5.154	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2ccc(CC)s2)c1	561881422	GSHLQZLRVZTOLH-CYBMUJFWSA-N	289.444	5.020	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2cc(C)ccc2C)cc1	916119210	RREUAVLUKJDRPP-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
Cc1ccc(CSC2=Nc3ccccc3CS2)cc1	58017827	OLDPAISREWHBOU-UHFFFAOYSA-N	285.437	5.163	0	20	CKAD	
CCc1ccccc1NCc1cc2ccccc2nc1Cl	302806699	BTIMZYXBKVTLAI-UHFFFAOYSA-N	296.801	5.063	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccc1OC(C)C)c1ccccc1	315677798	RDVHBOAOOXRQIQ-QFBILLFUSA-N	297.442	5.276	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](CC(F)F)c1ccccc1	421885328	USBUJPBINIMGRX-JSGCOSHPSA-N	295.398	5.104	0	20	CKAD	
CC(C)[C@H]1C[C@@H](N[C@H](C)c2ccsc2)c2ccccc21	448030765	SOJPOZMKLPJXKM-FSPWUOQZSA-N	285.456	5.283	0	20	CKAD	
CC(C)C[C@@H](NCc1cccc(C(C)C)c1)c1ccccn1	480667799	LRQPQRTZESMECH-HXUWFJFHSA-N	296.458	5.082	0	20	CKAD	
C[C@H](Nc1csc2ccccc12)c1ccc2c(c1)COC2	495405887	CNPNAMBEKFJVRC-LBPRGKRZSA-N	295.407	5.105	0	20	CKAD	
C[C@@H](NCc1ccc2occc2c1)c1cc2ccccc2o1	510245637	VIBILNPDQSERDY-CYBMUJFWSA-N	291.350	5.030	0	20	CKAD	
CC(C)C[C@H](N[C@@H](C)c1ccccc1)c1cccs1	536873812	AQHQFAWKTUMURG-HOCLYGCPSA-N	273.445	5.186	0	20	CKAD	
Cc1cnc([C@@H](C)SCCCc2ccc(Cl)cc2)o1	539952554	GTIFITJQSWJITP-GFCCVEGCSA-N	295.835	5.063	0	20	CKAD	
Cc1cccc(C(=O)Nc2ccccc2CCC(C)C)c1C	621613395	KEGBEMQYRPESKR-UHFFFAOYSA-N	295.426	5.144	0	20	CKAD	
CC/C=C(\C)C(=O)N(CCCC)[C@H](CC)c1ccccc1	734106108	ODUKYZVSHNUIHD-FXFXYLOPSA-N	287.447	5.123	0	20	CKAD	
C[C@H](SC1=Nc2ccccc2C1)c1c(F)cccc1F	740767189	NEOAKBFJWBCRSE-JTQLQIEISA-N	289.350	5.045	0	20	CKAD	
Cc1ccc(NC(=S)Nc2ccc(C3CCC3)cc2)cc1	782416756	CAJCPJAQTXBGND-UHFFFAOYSA-N	296.439	5.071	0	20	CKAD	
Cc1cc(Cl)ccc1CNc1cccc(C(C)(F)F)c1	864025167	NVXWOFOYKRMEBF-UHFFFAOYSA-N	295.760	5.372	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccs1)c1cccc(C(F)(F)F)c1	20148326	IPSTXTKMFGDLNB-GHMZBOCLSA-N	299.361	5.179	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1	21032038	UNXFWUGNJSKQHI-SNVBAGLBSA-N	283.268	5.018	0	20	CKAD	
Cc1ccccc1CN[C@H](C)c1cc2ccccc2s1	169185045	KLQCIFQEEWDXNT-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CCSc1ccc([C@@H](C)N[C@H](C)c2ccccc2)cc1	531960314	OUUYCJFZOKFLII-HUUCEWRRSA-N	285.456	5.210	0	20	CKAD	
CC(C)Sc1ccccc1NCc1cccc2cc[nH]c12	532896089	WEVOPFSVKLTKQL-UHFFFAOYSA-N	296.439	5.281	0	20	CKAD	
C[C@H](S[C@H](C)c1cccnc1)c1ccccc1Cl	570937663	PZZOAHRYHKSUCL-NEPJUHHUSA-N	277.820	5.290	0	20	CKAD	
CCC(CC)[C@@H](NCc1sccc1C)c1cccs1	620760516	DFIOKPIVYUFGJD-MRXNPFEDSA-N	293.501	5.385	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2c(F)cccc2Cl)s1	388348008	LDRKACSQJRBDEX-WDEREUQCSA-N	297.826	5.261	0	20	CKAD	
Clc1cccc(-c2cnc(CSC3CCCC3)o2)c1	480236902	OTPVLPJDGFXAEG-UHFFFAOYSA-N	293.819	5.171	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@@H](c2ncccc2C)C(C)C)c1	532501154	NGEAMODRRGBLPJ-PKOBYXMFSA-N	296.458	5.055	0	20	CKAD	
Cc1ccccc1SCc1ncc(-c2ccccc2C)o1	534527817	TUXVPLXOKYLOAA-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
C[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1F	538549623	IMUYMCBVHUWTPD-NSHDSACASA-N	296.345	5.017	0	20	CKAD	
CC(C)CCc1nc(CSc2cccs2)cs1	604931081	DJKJNJRJVXHGJI-UHFFFAOYSA-N	283.487	5.086	0	20	CKAD	
C[C@@H](Sc1c(Cl)cccc1Cl)c1ccncc1	619948859	QCSWDTJUNCBTON-SECBINFHSA-N	284.211	5.242	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](CC(C)C)c2ccccc2)c(C)n1	678412455	UYGIGGWSIADWHY-YLJYHZDGSA-N	296.458	5.136	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2nccc3ccccc23)s1	810213143	NBZXJZKTGQLJGV-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccc(F)cc2F)c(C)s1	36952692	XSAQZUQOFUQLFV-MNOVXSKESA-N	295.398	5.055	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2c(F)cccc2Cl)s1	388347999	LDRKACSQJRBDEX-GHMZBOCLSA-N	297.826	5.261	0	20	CKAD	
CCSc1ccc([C@@H](C)Nc2nccc3occc23)cc1	462825363	HJTIBRJRBKGGLA-GFCCVEGCSA-N	298.411	5.113	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@@H](C)c2cscn2)cc1	527910876	FJTZVFRPUHOKCJ-MJBXVCDLSA-N	288.460	5.068	0	20	CKAD	
CC[C@@H](CSCCCCC(F)(F)F)CC(F)F	596349837	LJZDTEPOZNXRSO-SECBINFHSA-N	278.330	5.134	0	20	CKAD	
Cc1ccc([C@H](C)NCc2cc3cc(C)ccc3o2)c(C)c1	606912030	VTWNNDHBEZXKIP-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
C[C@H](Sc1c(Cl)cccc1Cl)c1ccncc1	619948864	QCSWDTJUNCBTON-VIFPVBQESA-N	284.211	5.242	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)CCCC(F)(F)F)c(C)s1	163327751	WKCZNHVCSOHPQH-GXSJLCMTSA-N	293.398	5.137	0	20	CKAD	
CC(C)c1nc2cc(N[C@H]3CCCc4occc43)ccc2o1	316463763	JBTYDJSFTGTYMV-AWEZNQCLSA-N	296.370	5.034	0	20	CKAD	
FC(F)c1ccc(CSc2nc3ccccc3o2)cc1	461416565	HWXORVDELQMLHH-UHFFFAOYSA-N	291.322	5.058	0	20	CKAD	
CCC[C@@H](Nc1cccc(C2CCC2)c1)c1cccnc1	462950352	QQOUOXQCJKQVHG-LJQANCHMSA-N	280.415	5.302	0	20	CKAD	
C[C@H](Nc1ccc(Cl)cn1)c1cccc2ccccc12	463058892	WBLVAJVGTWDZIF-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
C/C=C/c1ccc(N[C@H](C)c2nc3ccccc3o2)cc1	487970465	RWOHDFBQBFSPAI-VUUYWXRKSA-N	278.355	5.034	0	20	CKAD	
C[C@H](Sc1cccc2cccnc12)c1ccc(F)cc1	502827566	NMUVBQLLEWMFTL-LBPRGKRZSA-N	283.371	5.227	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H]2CCc3cc(C)ccc32)cc1	536829666	YLLRADMKRHEFEF-IFXJQAMLSA-N	297.467	5.055	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2cc(C)ccc2C)c1	537533605	OONPUONZEGAURI-CVEARBPZSA-N	283.415	5.184	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2cc3ccccc3o2)c1	539650252	IVFDARCIJRQBFG-AWEZNQCLSA-N	295.382	5.142	0	20	CKAD	
C[C@H](c1cccc(-c2cncc(C(F)F)c2)c1)C(F)F	665215822	FWYVYWQTTYTSEE-SECBINFHSA-N	283.268	5.055	0	20	CKAD	
CC[C@H](N[C@@H](CC1CC1)c1ccccc1)c1cccs1	679046450	HRZOQEWWOVGGRX-IRXDYDNUSA-N	285.456	5.330	0	20	CKAD	
C[C@H](SCc1cccnc1Cl)c1c(F)cccc1F	727054719	HFMLEVGWTQMXDO-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1	741890594	NNWYXJPDWKDTSJ-HUUCEWRRSA-N	293.476	5.018	0	20	CKAD	
Cl/C(=C/c1cc2ccccc2o1)c1nc2ccccc2o1	750902436	JSZQOJKNNZTWEM-JLHYYAGUSA-N	295.725	5.311	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C1/CC[C@@H](C)C1	788486991	APBOCAOJZVLKGG-NWCRWOLESA-N	299.458	5.447	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(Cl)cc1	35054096	DNRKXJPCHHBTFO-KSSFIOAISA-N	287.834	5.388	0	20	CKAD	
CCN(C(=O)Nc1c(C)cccc1C(C)C)[C@@H](C)C(C)C	65356988	OCBCCOSPXYKBLZ-HNNXBMFYSA-N	290.451	5.017	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2cccnc2Cl)c1	179879813	CBWBDZSYUQLICT-LLVKDONJSA-N	292.835	5.020	0	20	CKAD	
CC(C)c1ccc([C@H](C)S[C@@H](C)c2cnccn2)cc1	467298690	GAJIIIMAAISLJQ-KBPBESRZSA-N	286.444	5.155	0	20	CKAD	
Cc1ccccc1[C@@H](NCc1ccc(Cl)s1)C(C)C	482160285	SNJBZONRZUGKCG-INIZCTEOSA-N	293.863	5.197	0	20	CKAD	
C[C@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccco1	484492731	BDEBJLSZZYXQEQ-UGSOOPFHSA-N	287.378	5.001	0	20	CKAD	
Cc1cccc(C)c1[C@@H](C)N[C@@H]1CCCc2sccc21	544898374	SIISWPISIPZVII-GDBMZVCRSA-N	285.456	5.093	0	20	CKAD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1cccc(O)c1	799716969	CEHOYBIIENZZDZ-QWHCGFSZSA-N	297.423	5.019	0	20	CKAD	
CCCCN(C(=O)/C=C(\C)CCC)[C@@H](C)c1ccccc1	920217774	BSAAIMNXHUNEQW-IWLLYFRBSA-N	287.447	5.123	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2cccs2)c(C(C)C)c1	27139057	OQENIZNAJHIXJR-UHFFFAOYSA-N	287.428	5.247	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1ccco1)c1ccccc1	37107805	SHRQXMGJBKTGFV-RDTXWAMCSA-N	271.404	5.108	0	20	CKAD	
CC(C)(C)C[C@@H](NCc1ccc(F)cc1)c1ccccc1	37128451	XBTBMMULTTWRLY-GOSISDBHSA-N	285.406	5.093	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2ccc(F)cc2)cc1Cl	37773340	VQXZWVOHMVGZKW-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
CCC(CC)[C@H](NCc1ccc(Cl)o1)c1cccs1	62422844	GJZBTRFHNMOTOO-HNNXBMFYSA-N	297.851	5.262	0	20	CKAD	
Cc1csc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)c1	379123029	MNHJDUCUGAHENG-AWEZNQCLSA-N	287.472	5.205	0	20	CKAD	
C[C@@H](Nc1ccc2c(c1)COC2)c1ccc2ccccc2c1	389093828	HSYMLPWWFTXLOR-CQSZACIVSA-N	289.378	5.043	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H]1CCCc2sccc21)C1CC1	468048190	FOWWXKUBHVTLFF-PKOBYXMFSA-N	297.467	5.175	0	20	CKAD	
C[C@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccsc1	484297745	VDLGGYAOLKEONR-BLLLJJGKSA-N	291.435	5.325	0	20	CKAD	
CC[C@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1ccccc1	495531313	RWGNIGQJTHDGOP-IBGZPJMESA-N	292.426	5.026	0	20	CKAD	
CC[C@@H](SCc1cnc(C)s1)c1ccc(F)cc1F	610009126	VADSUFWCRAQWSP-CQSZACIVSA-N	299.411	5.114	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cc2cnccc2o1)c1ccccc1	657823728	AMTGNLKSJIDGSA-RHSMWYFYSA-N	294.398	5.020	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	678427387	NGOOGRWBNFCFHI-HZPDHXFCSA-N	296.458	5.099	0	20	CKAD	
CC[C@@H](C)Oc1ccc(N[C@@H](C)c2ccccc2)cc1	736347913	HOUWOBMCHXSPTL-CABCVRRESA-N	269.388	5.037	0	20	CKAD	
Cc1ccsc1/C=C(\Cl)c1nc2cc(F)ccc2o1	756786155	FCKPNVPSVVDKPP-YFHOEESVSA-N	293.750	5.074	0	20	CKAD	
FCc1ccc(CSCCCCC(F)(F)F)cc1	776897201	GHRYKZLKPJQTHG-UHFFFAOYSA-N	280.330	5.122	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H]2CCSc3ccccc32)cc1C	37128057	XHDFBBHIEQGUBY-QAPCUYQASA-N	297.467	5.191	0	20	CKAD	
C[C@H](NCc1ccc(C2CC2)cc1)c1ccc(Cl)s1	94518601	VUEDZQQVZOUIQK-NSHDSACASA-N	291.847	5.130	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1ccsc1	382191680	ZCHFPKXMYFKFRT-AEFFLSMTSA-N	297.423	5.171	0	20	CKAD	
C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)c1cccc(O)c1	385996068	LFYGGEZHMMSQOU-DNVCBOLYSA-N	297.442	5.220	0	20	CKAD	
CCC[C@H](NCc1ccc2[nH]c(C)cc2c1)c1ccsc1	552322055	BEXAQAKCKGLTQP-KRWDZBQOSA-N	298.455	5.169	0	20	CKAD	
Clc1ccc2c(n1)CC[C@H]2Nc1ccc(C2CCC2)cc1	806163932	WWELSOIZAMOKNL-MRXNPFEDSA-N	298.817	5.102	0	20	CKAD	
CSc1cccc(NCc2ccc(Cl)c(Cl)c2)c1	21810909	AWJBJGATZDUQJV-UHFFFAOYSA-N	298.238	5.327	0	20	CKAD	
CCc1ccc(CN[C@H](CC)c2ccc(Cl)cc2)s1	51717684	KCJOKZYPURBNSN-MRXNPFEDSA-N	293.863	5.205	0	20	CKAD	
CCC[C@H](NCc1cccc(OC(C)C)c1)c1ccccc1	385809369	RNXNERLLBZYETP-FQEVSTJZSA-N	297.442	5.105	0	20	CKAD	
Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)C(C)C)cc1	497544469	YZUOZXXIAVXTHJ-HNNXBMFYSA-N	297.398	5.018	0	20	CKAD	
Cc1c(-c2ccccc2OC(F)F)nc2ccccc2c1C	515570982	VIDBQAGYEYQXGO-UHFFFAOYSA-N	299.320	5.120	0	20	CKAD	
C[C@@H](Sc1ccnc2ccccc12)c1ccccc1F	521865452	XKTBPBFRHUWWFJ-GFCCVEGCSA-N	283.371	5.227	0	20	CKAD	
C[C@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccoc1	532543016	BYDBDGJFNQKLJM-UGSOOPFHSA-N	287.378	5.001	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1cccs1	556057933	ZFNGAIVFDGNICQ-SUMWQHHRSA-N	285.456	5.427	0	20	CKAD	
CC[C@H](N[C@@H](c1ncccc1C)C(C)C)c1cccc(C)c1	576965022	LFJNPWYXYZUIMY-RBUKOAKNSA-N	296.458	5.136	0	20	CKAD	
Cc1cc(Cl)ccc1N[C@H](C)c1ccc(C(F)F)nc1	657954095	FDBIKQHCWWMGSB-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
CC[C@H](NCc1ccsc1)c1cccc2ccccc12	682131253	VPGWCYSNWIEBNA-SFHVURJKSA-N	281.424	5.142	0	20	CKAD	
CC(C(=O)Nc1c(C(C)C)cccc1C(C)C)=C1CCCC1	753589919	XDQLFABJAYCIRB-UHFFFAOYSA-N	299.458	5.762	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccc(F)cc1	36968301	VQCXFNQIECOJPC-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccsc1	50341579	YADRSWMXOKXKHR-BBRMVZONSA-N	273.445	5.186	0	20	CKAD	
CC(C)(C)c1nc(CNc2ccc3ccccc3c2)cs1	132966172	IAMNZURHSSOCTI-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](NCc2cc[nH]c2)C(C)C)cc1	236909925	HCPSCTMKOWLVID-HNAYVOBHSA-N	284.447	5.015	0	20	CKAD	
CCCCOc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1	314446315	CMESPBZLIXPNIU-KRWDZBQOSA-N	297.442	5.025	0	20	CKAD	
Nc1ccc(SCc2cccc(C(F)F)c2)c(Cl)c1	475976932	NJTQKYBQLBIPSJ-UHFFFAOYSA-N	299.773	5.152	0	20	CKAD	
Cc1ccccc1S[C@H](C)c1ncc(C(C)(C)C)o1	476507807	LXSYCNBUVMNQNJ-GFCCVEGCSA-N	275.417	5.134	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)cc1C	480223531	DCUQRVQNIBLRMX-RDTXWAMCSA-N	285.456	5.167	0	20	CKAD	
CCCC[C@H](CC)CC(=O)Nc1c(C)cc(C)cc1C	522683842	AEEATPWCSNYOPF-INIZCTEOSA-N	275.436	5.157	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2sc(C(C)C)nc2C)c1	540710982	YBVMDSYEZFUPMP-LBPRGKRZSA-N	274.433	5.056	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cccc(C3CC3)c2)c(C)o1	556064567	GXCSGQJFQIMOTG-ZIAGYGMSSA-N	283.415	5.186	0	20	CKAD	
Cc1ccccc1NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1	606157256	YTMGJQLIPVDKCU-MRXNPFEDSA-N	295.426	5.251	0	20	CKAD	
C[C@@H](CSC1=Nc2ccccc2CS1)c1ccccc1	734981517	FBOOIOFOYIBGEC-ZDUSSCGKSA-N	299.464	5.458	0	20	CKAD	
Cc1ccc(C)c(NC(=O)Nc2c(C)cccc2C(C)C)c1	242825867	FNNXYURSULSOLN-UHFFFAOYSA-N	296.414	5.379	0	20	CKAD	
COc1ccc(N[C@H](C)c2ccc3ccccc3c2)cc1F	302960047	QBBZCRRIBLLIPA-CYBMUJFWSA-N	295.357	5.161	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccsc1	382089945	HDLTVEPWOICIBO-CQSZACIVSA-N	299.361	5.008	0	20	CKAD	
C(=C/c1cncc2ccccc12)\c1nc2ccccc2s1	772808666	XMHUDFFPSZSYOB-MDZDMXLPSA-N	288.375	5.015	0	20	CKAD	
Cc1nc([C@H](C)Nc2ccc3ccccc3c2)c(C)s1	36951853	ONOZNNJVPDTGPK-NSHDSACASA-N	282.412	5.086	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1cc2ccccc2o1	42330564	WXIFJWPHKCZQBF-XIKOKIGWSA-N	297.423	5.296	0	20	CKAD	
CC[C@H](N[C@@H](C)c1sccc1C)c1ccc(C)cc1	70090919	OPVKBXJRYLDXOT-HOCLYGCPSA-N	273.445	5.167	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(C)s2)c1	130421910	PQBVQPKGDXXMPI-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
CC(C)C[C@@H](NCc1cccc2[nH]ccc12)c1ccccc1	236623595	COTZOXRZAZVHGT-HXUWFJFHSA-N	292.426	5.045	0	20	CKAD	
CCC[C@H](N[C@H]1CSc2ccccc21)c1ccsc1	443094585	CZOMXZPBCLDMBQ-GJZGRUSLSA-N	289.469	5.026	0	20	CKAD	
CC(C)c1nc([C@H](C)Nc2ccc(F)c(Cl)c2)cs1	469788000	SKPPRGOQSQONTK-VIFPVBQESA-N	298.814	5.232	0	20	CKAD	
CC[C@@H](N[C@@H](C)C1CCC(F)(F)CC1)c1cccs1	474028830	DRNWGKRITUTNAY-WCQYABFASA-N	287.419	5.003	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1C(C)C	475614115	UVJAVZJWABVQFG-IAGOWNOFSA-N	287.447	5.164	0	20	CKAD	
CC[C@@H](NCc1cc2c(C)cc(C)cc2[nH]1)c1ccccc1	479542189	OJLLWLAQQOMYIH-LJQANCHMSA-N	292.426	5.026	0	20	CKAD	
FC(F)(F)CCCCSCc1cccc2cccnc12	507642644	GUCPQNXFQIPVTF-UHFFFAOYSA-N	299.361	5.201	0	20	CKAD	
C[C@@H](NC1(c2ccccc2)CC1)c1cc2ccccc2s1	527110560	DMOJZLUQPDSZBP-CQSZACIVSA-N	293.435	5.241	0	20	CKAD	
Clc1ccc(CN[C@H](CC2CC2)c2ccccc2)s1	539021268	YKTYVTKGQIOYOP-OAHLLOKOSA-N	291.847	5.033	0	20	CKAD	
COc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1	21806132	SWMBYTPAPKWGDL-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
CCCc1ccc([C@@H](N[C@H](C)c2ccccn2)C(C)C)cc1	236920693	YFHLFKZIJDVYLF-UZLBHIALSA-N	296.458	5.082	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1c(C)coc1C	286614000	YEXHBQYXDUYCNI-UHFFFAOYSA-N	299.414	5.225	0	20	CKAD	
CC[C@H](Nc1cccc2ccccc12)c1ccsc1	382109403	KOTHBKFWJPOMQP-INIZCTEOSA-N	267.397	5.465	0	20	CKAD	
Cc1oc(C)c(C(=O)Nc2ccccc2CCC(C)C)c1C	670778553	ITMJXKUXFLCBJP-UHFFFAOYSA-N	299.414	5.046	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](C)C(C)C	733101176	DLOQVSKSTNGQDR-ZDUSSCGKSA-N	293.476	5.116	0	20	CKAD	
C[C@H](SC1=Nc2ccccc2C1)c1ccc(F)cc1F	735794074	INRARCGIISSMPB-JTQLQIEISA-N	289.350	5.045	0	20	CKAD	
CCCCCC[C@H](C)N[C@H](C)c1ccc(C(F)F)nc1	850419743	HCFNOINXZFSHDL-QWHCGFSZSA-N	284.394	5.029	0	20	CKAD	
Cc1cc([C@@H](C)NCc2c(F)cccc2Cl)c(C)s1	35252867	XLAIEOSOSALQEE-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
CC[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccccc1	50198425	QKNALTPEWKEHPA-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(F)c(Cl)c2)c(C)s1	53149506	GOQGGJQAFUQBRD-JTQLQIEISA-N	297.826	5.008	0	20	CKAD	
CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1N	95830634	ZQKFNGTUFIJENJ-UHFFFAOYSA-N	267.372	5.415	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccsc1	128272202	ZWCLBYYGNINIFZ-CABZTGNLSA-N	297.876	5.191	0	20	CKAD	
C[C@@H](Nc1ccccc1C(C)(F)F)c1ccncc1Cl	421865115	YZMZEZZMJATNAS-SNVBAGLBSA-N	296.748	5.020	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CCCC1CCCC1	443817114	PLKIHSCISRMGGV-UHFFFAOYSA-N	287.447	5.417	0	20	CKAD	
CCCCCN(C(=O)Nc1ccc(C)cc1Cl)C(C)C	508106054	OYCTWCWVXKSMMI-UHFFFAOYSA-N	296.842	5.081	0	20	CKAD	
CS[C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1	512344667	YHRCZPZUTVFGMZ-ZETCQYMHSA-N	288.199	5.072	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccco1	543598799	FZLNPNKTOGLCRS-QMMMGPOBSA-N	271.694	5.044	0	20	CKAD	
Cc1cc(NCc2ccnc3ccccc23)ccc1C1CC1	547532000	RILUADQRXBPCFN-UHFFFAOYSA-N	288.394	5.033	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1cc2c(s1)CCCC2	3561165	XGXXDEIXZRXAEX-UHFFFAOYSA-N	299.439	5.003	0	20	CKAD	
C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1F	19996487	XAEHOVKFSJAWMZ-SNVBAGLBSA-N	283.268	5.018	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1Cl)c1cc(F)ccc1F	21796038	JGYSBLOKJNBODN-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1cccc(F)c1	36952087	IRIKGNXJLVABKF-CYBMUJFWSA-N	265.331	5.152	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H](C)c2cccc(C)c2)cc1	37292207	GGPLDFBXJCDHKS-LSDHHAIUSA-N	285.456	5.129	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2ccccc2F)cc1Cl	37773336	JYPSMZOLXMUPMV-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCCCC1)c1ccccn1	120325674	URTAGZLCFLRHHY-OXJNMPFZSA-N	294.442	5.054	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1cc(F)ccc1F	171119445	KNONJQWTLTUTBD-VIFPVBQESA-N	283.268	5.076	0	20	CKAD	
CC[C@H](N[C@H]1CCSc2ccccc21)c1ccsc1	382097551	IMRAGIQCACHRTB-GJZGRUSLSA-N	289.469	5.026	0	20	CKAD	
Cc1oc(-c2ccccc2)nc1CSc1cccc(F)c1	440852983	IYAOFGKFQWPIDF-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
Clc1ccc2ccc(/C=C/C=C/c3ccncc3)nc2c1	447353196	DRMIRXHOWHZRNG-ZPUQHVIOSA-N	292.769	5.010	0	20	CKAD	
CC(C)c1ncc(CNc2cccc(C3CCC3)c2)s1	462863136	YZEAUYSRIPSTET-UHFFFAOYSA-N	286.444	5.146	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)o1	482456224	RLPNSYBMGMGUSQ-KUHUBIRLSA-N	283.415	5.034	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2cc(C)c(C)o2)cc1	502407355	YBJYZMVDYCTZMG-OLZOCXBDSA-N	289.444	5.030	0	20	CKAD	
CC(C)(C)C(=O)CSC(c1ccccc1)c1ccccc1	502535897	OFTZZLGAHNSUDJ-UHFFFAOYSA-N	298.451	5.124	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)c(C)o1)c1ccc(Cl)s1	502721239	FSPFAYMZPCOTBO-PWSUYJOCSA-N	297.851	5.413	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](C)c1cccc(C)c1C	531711715	RAZZCAQGWQHMCL-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
Cc1ccc(CNc2cccc(COC3CCCCC3)c2)o1	532889177	YZIXKSFDVZPEPZ-UHFFFAOYSA-N	299.414	5.049	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	678427388	NGOOGRWBNFCFHI-JKSUJKDBSA-N	296.458	5.099	0	20	CKAD	
C[C@@H](SCc1ccnc(Cl)c1)c1ccc(F)c(F)c1	747846534	OLCLCGUYTYCUJO-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
C[C@H](SCCc1cccs1)c1ncc(C(C)(C)C)o1	783581723	DGAVCDKPTPNWII-NSHDSACASA-N	295.473	5.071	0	20	CKAD	
COc1cccc(NCc2ccc(-c3ccccc3)s2)c1	37215435	MIYBEDYUHLJTGK-UHFFFAOYSA-N	295.407	5.036	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@@H](c2cccs2)C2CC2)c1	42330768	ZCOWACQZUZGFKT-RDTXWAMCSA-N	285.456	5.167	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](NCc2ccccn2)C(C)C)cc1	61556580	WUGNRRVLWHLZMV-JXFKEZNVSA-N	296.458	5.082	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3s2)c(C)o1	126527262	PDMRSGRXBNTEDB-STQMWFEESA-N	299.439	5.523	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](CC(F)F)c2ccccc2)s1	421877359	LQRFGVYHYLCIAE-TZMCWYRMSA-N	295.398	5.104	0	20	CKAD	
Cc1ccoc1CNc1ccc(C(C)(C)C(F)(F)F)cc1	428535991	LASVLBURDUXWPQ-UHFFFAOYSA-N	297.320	5.040	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CCC(C)(C)C	472683820	NSCMPDRNXBSPDC-UHFFFAOYSA-N	289.463	5.527	0	20	CKAD	
CC[C@H](NCc1cc2ccccc2s1)c1ccccc1	495504618	WCHSMGIUDFEJSG-KRWDZBQOSA-N	281.424	5.142	0	20	CKAD	
CCCCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	497766386	NIUNPMVMRFHSNU-UHFFFAOYSA-N	294.609	5.166	0	20	CKAD	
Cc1oc2ccc(NC(=O)c3occc3C(C)C)cc2c1C	551305854	VHQOFOUUTQJLFN-UHFFFAOYSA-N	297.354	5.018	0	20	CKAD	
CC[C@H](Nc1cccc(N2CCCCC2)c1)c1ccccc1	732918528	JOWUYBNAEMBYBM-FQEVSTJZSA-N	294.442	5.240	0	20	CKAD	
CCCC(=CC(=O)Nc1c(C)cccc1CC)CCC	770644307	JIWHDDOWLONBJJ-UHFFFAOYSA-N	273.420	5.023	0	20	CKAD	
COc1cccc([C@H](C)Nc2ccc3ccccc3c2)c1	36952048	AYSULHHAKCAOGB-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
COc1ccccc1SCc1ccc(C(F)(F)F)cc1	60133440	IQDBLMTUCMQXKZ-UHFFFAOYSA-N	298.329	5.006	0	20	CKAD	
C[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccccn1	237541826	RXOCCBCQAQJDGN-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
CC(C)(C)CC(C)(C)NCc1cccc(-c2ccncc2)c1	439474750	COMYKKBXILBRJV-UHFFFAOYSA-N	296.458	5.053	0	20	CKAD	
FC(F)(F)Cc1cccc(NCc2ccc(Cl)cc2)c1	462185683	DGYWVBBLCNEJJI-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
Cc1c([C@H](C)Nc2csc3ccccc23)cnn1C(C)C	468925765	KVPVXRSSPDCONF-LBPRGKRZSA-N	299.443	5.160	0	20	CKAD	
CCSc1cccc(CN[C@@H](C)c2ccc(C)s2)c1	472047597	LOJHBWNEZLGHIW-ZDUSSCGKSA-N	291.485	5.019	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1C)C1CC1)c1cccs1	482952683	UPYSEOVIRJBNOD-WMZOPIPTSA-N	285.456	5.249	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cccs1)c1ccc(F)cc1F	484505328	WHFPBDHZUWTMMX-IAQYHMDHSA-N	295.398	5.218	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H]2CC(C)(C)Cc3occc32)c1	498649526	QUTLLLYIYMNBIE-SUMWQHHRSA-N	299.414	5.113	0	20	CKAD	
C[C@H](SCc1ncc(-c2ccccc2)o1)c1ccccc1	500282461	SAKZMXCGAZTIAU-AWEZNQCLSA-N	295.407	5.336	0	20	CKAD	
CCCc1ccccc1NC(=O)C[C@@H](C)c1ccccc1C	522533622	PLAKZCCSCHAZJA-MRXNPFEDSA-N	295.426	5.080	0	20	CKAD	
CC(C)c1cccc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)c1	527877156	OWOYRIKAOMGXFC-FOIQADDNSA-N	294.442	5.007	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1ccoc1)C(C)(C)C	532521956	CCDLOEJVUGODQU-RHSMWYFYSA-N	271.404	5.026	0	20	CKAD	
CC[C@@H](NCc1ccoc1C)c1ccc(Cl)c(Cl)c1	675780257	VINXFNFVHXKACI-OAHLLOKOSA-N	298.213	5.136	0	20	CKAD	
C[C@@H](NCc1ccc(CF)cc1)c1csc2ccccc12	754738515	NJKCBCKMSKKLKG-CYBMUJFWSA-N	299.414	5.222	0	20	CKAD	
FC(F)(F)CCCCSc1ccnc2ccccc12	443519272	VGHLTBKDWLTFRP-UHFFFAOYSA-N	285.334	5.060	0	20	CKAD	
C[C@@H](NC(C)(C)c1cccs1)c1cccc(Cl)c1F	481009525	BLTYWGICEDWYIP-SNVBAGLBSA-N	297.826	5.127	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc2ncsc2c1)c1ccccc1	485793324	BNXSZNWTHMGDGR-CZUORRHYSA-N	296.439	5.098	0	20	CKAD	
CC(C)c1nc(CS[C@H](C)c2ccccc2F)cs1	507876194	AGGUUWYEDUZHQV-LLVKDONJSA-N	295.448	5.400	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](C)c1c(F)cccc1Cl	536878148	PXWLTHRKUCIONI-WDEREUQCSA-N	297.826	5.261	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2cccc(C)c2C)c1	540751724	NSRYQHXTDGIJLT-MRXNPFEDSA-N	283.415	5.013	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2ccccc2Cl)c1	602584110	MNBKKDNJGWAZRO-CYBMUJFWSA-N	289.806	5.050	0	20	CKAD	
C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376341	VSODWAYXJJFZIK-AUUYWEPGSA-N	283.390	5.018	0	20	CKAD	
CC(C)Sc1ccc([C@H](C)N[C@H]2CCC(F)(F)C2)cc1	679071089	CPHNHWUJMVWTRA-JSGCOSHPSA-N	299.430	5.026	0	20	CKAD	
C/C(=C/C(=O)N[C@H](C)c1cccc2ccccc12)C(C)(C)C	742483115	LJBIWPRNSCZJSN-SEWDUPMJSA-N	295.426	5.009	0	20	CKAD	
C[C@@H](Nc1cccc(COc2ccccc2)c1)c1ccoc1	776861525	KBCKYGCUQSDRKG-OAHLLOKOSA-N	293.366	5.032	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(Cl)c1)c1cccs1	20008953	CVIOHZDIBNIALL-RISCZKNCSA-N	279.836	5.203	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccc1	37070912	XGRSFMWSVSBEHX-WMLDXEAASA-N	279.383	5.235	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc3ccccc23)cc1	314170144	VBWYOSUTYFIPRV-DLBZAZTESA-N	289.422	5.560	0	20	CKAD	
C[C@@H](SCc1ccc(F)cc1)c1ncc(C(C)(C)C)o1	443188899	IFCBTWDSSBBFGQ-LLVKDONJSA-N	293.407	5.106	0	20	CKAD	
CC[C@@H](NCc1cccc(C)c1C)c1ccc(Cl)s1	512220671	XPSQYCRAWSWSIK-CQSZACIVSA-N	293.863	5.259	0	20	CKAD	
C[C@@H](NCc1cccs1)c1ccc(-c2ccccc2)s1	542674535	TUJAFPSTKNZICR-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
CC(C)c1cnc(CSCc2ccc(F)c(Cl)c2)o1	786807355	OTEGIMMSINZHLT-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccccc1	19878813	TXMCNXNWCGURNE-STQMWFEESA-N	293.332	5.117	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1cccs1	37118546	AQYVHNLSZSEFES-OCCSQVGLSA-N	289.444	5.014	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2cccs2)C2CC2)c(C)c1	42331331	RIKWPVHJIISIID-KSSFIOAISA-N	285.456	5.167	0	20	CKAD	
CSc1ccc([C@H](C)NCc2ccc(C3CC3)cc2)cc1	94518613	DUCIPWQUQFDIPA-AWEZNQCLSA-N	297.467	5.137	0	20	CKAD	
Clc1ccc(CSc2ccnc3ccccc23)s1	111217063	WWLXRPBKOZEDJL-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
C[C@@H]1C[C@H](N[C@@H]2CCSc3ccccc32)c2ccccc21	313887299	DCPADPKPZHJXMS-XWIAVFTESA-N	295.451	5.062	0	20	CKAD	
Cc1c([C@H](C)N[C@@H]2CCCc3occc32)oc2ccccc12	315712312	XJEKPLKTMDSLOV-XJKSGUPXSA-N	295.382	5.062	0	20	CKAD	
Cc1ccoc1CN[C@H](c1oc2ccccc2c1C)C(C)C	462748487	IITSNXJQTLYIFY-SFHVURJKSA-N	297.398	5.130	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)C2CCC(F)(F)CC2)c1	474045335	QFAZFORMIIUCCK-QWHCGFSZSA-N	297.389	5.020	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2cc3ccccc3s2)c(C)c1	501376925	NWPCCJVAULAJNB-OAHLLOKOSA-N	295.451	5.369	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)c2ccc(Cl)cc2)s1	525631882	LXADZTUZXLPIRO-JTQLQIEISA-N	297.876	5.408	0	20	CKAD	
CCC[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccccc1	527962387	DCYLHESGCFVLJM-QUCCMNQESA-N	294.442	5.054	0	20	CKAD	
C[C@H](NCc1cccs1)c1ccc(-c2ccccc2)s1	542674549	TUJAFPSTKNZICR-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
C[C@@H](Sc1cc(Cl)ccc1Cl)c1ccncc1	619950389	BGMXSPABDURGCP-SECBINFHSA-N	284.211	5.242	0	20	CKAD	
Clc1cscc1CN[C@@H](CC1CC1)c1ccccc1	676417850	IBPWITWPVPAQCW-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
CC[C@H](C)[C@H](C)Nc1cccc(C2SCCS2)c1	777233619	BORJAQCJNBRUSF-RYUDHWBXSA-N	281.490	5.012	0	20	CKAD	
CSc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1	35011404	PNVLFXBBQNZJLE-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
CC(C)c1ccc([C@H](C)N[C@H](C)c2ccsc2)cc1	50341868	CVKGYMJJDYVNOT-UONOGXRCSA-N	273.445	5.283	0	20	CKAD	
CC[C@H](C)Oc1cccc(N[C@H](C)c2ccc(C)nc2C)c1	679011256	SKNAUMZAEHLYJM-GOEBONIOSA-N	298.430	5.049	0	20	CKAD	
CC(C)(C)c1ccc(NCc2nc3ccccc3s2)cc1	37977646	FKHBPRITYWSTFN-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
Cc1cccc(NC(=O)C[C@H](c2ccccc2)C(C)C)c1C	96651215	QIAZSRRQISVFKE-SFHVURJKSA-N	295.426	5.072	0	20	CKAD	
Cc1cc(Cl)ccc1CNc1cccc(C(F)F)c1	395393346	YRSUMILIIGEAIF-UHFFFAOYSA-N	281.733	5.198	0	20	CKAD	
Cc1ccc2sc(C(=O)Nc3c(C)cccc3C)cc2c1	463066071	AVVRJCBPJHMOKS-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)o1	467377703	RDKSLDVKNPZSLE-STQMWFEESA-N	283.371	5.000	0	20	CKAD	
Cc1cnc([C@@H](C)SCc2ccc3ccccc3c2)o1	539952482	DSCCEFFARUKGPK-CYBMUJFWSA-N	283.396	5.131	0	20	CKAD	
CC(C)C[C@H](N[C@H](C)c1ccsc1)c1cccs1	540187810	FWVPWGCBKQTWPQ-OCCSQVGLSA-N	279.474	5.248	0	20	CKAD	
Cc1ccnc([C@@H](C)Nc2cccc(C(F)F)c2Cl)c1	556890714	QROCNHNQSNUDBR-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1	858578030	XAEBTQCDADXREG-BFHYXJOUSA-N	288.460	5.068	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](CC)c2cccs2)s1	49529651	VSQRNMCLSGAQES-AAEUAGOBSA-N	279.474	5.174	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	499742234	KAJLUDPUZQMXGR-GXTWGEPZSA-N	293.476	5.260	0	20	CKAD	
CSCc1cccc(N[C@H](C)c2cccc(F)c2F)c1	537533220	ISSNFDYEZCMGAT-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@@H](C)c1ccc(F)cc1	37780621	KSUGOHINZGHEPU-AWEZNQCLSA-N	287.378	5.094	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1ccsc1	50342748	VYBFGMZWKQRZOE-WFASDCNBSA-N	289.444	5.014	0	20	CKAD	
CCc1ccccc1NC(=O)[C@H](c1ccccc1)[C@H](C)CC	57325146	AWZHLQUMHPETOE-BEFAXECRSA-N	295.426	5.017	0	20	CKAD	
CCC[C@H]1CC=C(c2ccc(OCC)c(F)c2F)CC1	95933674	DEBVZLWMYMCVJC-LBPRGKRZSA-N	280.358	5.347	0	20	CKAD	
COCc1cccc(N[C@@H](C)c2cc3ccc(C)cc3o2)c1	426057692	BKHPLFXUHAAZCJ-AWEZNQCLSA-N	295.382	5.061	0	20	CKAD	
Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1cc2ccccc2o1	467372992	IEALLQNEZUMNCW-KSSFIOAISA-N	291.394	5.079	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1	476550611	SSZRYWZXJPPEIE-CYBMUJFWSA-N	286.419	5.269	0	20	CKAD	
CCCCCN(C(=O)[C@H](C)c1cccs1)[C@@H](C)CCC	523103958	RQRLUPSURLJUSO-LSDHHAIUSA-N	295.492	5.059	0	20	CKAD	
C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cccc2ccccc12	539066651	UFHFIDOUOKXLIG-DZGCQCFKSA-N	289.369	5.068	0	20	CKAD	
CSCc1ccc(N[C@H](C)c2cccc(F)c2F)cc1	540835362	KKFKLLCGWFTGHC-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
Cc1ncc(CSCc2ccc3ccccc3c2)s1	609466137	JZTITWIEQQOLJR-UHFFFAOYSA-N	285.437	5.038	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H](C)CC(C)(C)C)c(Cl)c1	612928373	JUCXAWWDNFKAPI-GFCCVEGCSA-N	295.854	5.358	0	20	CKAD	
C[C@H](SCCCCOC(C)(C)C)c1cccs1	788812098	ISYWSJMAIWDNCC-LBPRGKRZSA-N	272.479	5.138	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)s2)s1	36992238	CFCZBDYWQZSLLI-UWVGGRQHSA-N	285.865	5.183	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1nccs1)c1cccs1	93403052	XVGYDYDSAVPQQS-SMDDNHRTSA-N	294.489	5.033	0	20	CKAD	
CC(C)[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1	131325974	MCZDFMXPEZBIPQ-KRWDZBQOSA-N	289.369	5.111	0	20	CKAD	
CC[C@H](Sc1ccccc1OC)c1ccc(F)cc1	303752625	FULUOAPEWYNRTL-HNNXBMFYSA-N	276.376	5.078	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccccc1SC)c1ccccc1	440627268	SVLWQDLUXXLMOG-YOEHRIQHSA-N	285.456	5.210	0	20	CKAD	
CCC[C@H](N[C@@H](CCC)c1ccccn1)c1ccccc1	675815720	DPJXMEWRZVGVQN-HKUYNNGSSA-N	282.431	5.054	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](CC2CC2)c2ccccc2)o1	679046559	MSRCVHTVYSHDTO-RDTXWAMCSA-N	283.415	5.034	0	20	CKAD	
Cc1cc(N[C@H](C)c2cccs2)ccc1OC(C)C	770521119	OPFJIYUQKMMGSG-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
CCC[C@@H](NCc1ccc(C(F)F)cc1)c1ccsc1	187921505	APWAWFBNSFXYLO-OAHLLOKOSA-N	295.398	5.317	0	20	CKAD	
CCCCN(C(=O)C[C@H]1C=CCC1)[C@@H](CC)c1ccccc1	303604423	VOQNZMHDOABTRY-HKUYNNGSSA-N	299.458	5.123	0	20	CKAD	
CC[C@H](NCc1ccccc1C(F)(F)F)c1ccsc1	382100318	IYHRDZKWAZXSAC-AWEZNQCLSA-N	299.361	5.008	0	20	CKAD	
Cc1cccc([C@@H](N[C@H](C)c2cccc(O)c2)C(C)(C)C)c1	442779911	MDZVVRALVQZBEN-DNVCBOLYSA-N	297.442	5.139	0	20	CKAD	
CC1(C)CCCC[C@@H]1CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	505578775	KWZLSEVZAMQPGM-JLSDUUJJSA-N	297.442	5.011	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(CCC(F)(F)F)cc2)o1	537513942	TYIDDVRXNMLVJF-LBPRGKRZSA-N	297.320	5.256	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](c2ccccc2)C(C)C)c1	540834272	ZNTKBFOVNFDXEK-KXBFYZLASA-N	283.415	5.203	0	20	CKAD	
CC(C)C[C@@H](NCc1cc2ccccc2[nH]1)c1cccs1	675789855	LMBLVUJZWICYRJ-QGZVFWFLSA-N	298.455	5.106	0	20	CKAD	
CC[C@@H]1CCCCCN1C(=O)Nc1ccc2ccccc2c1	740428326	OULKUDNISCXTKB-GOSISDBHSA-N	296.414	5.026	0	20	CKAD	
C[C@H](Cc1cccs1)Nc1ccccc1NC(C)(C)C	798935601	SAVBIUJBVYCYDQ-CYBMUJFWSA-N	288.460	5.002	0	20	CKAD	
C[C@@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)c1ccco1	883365333	YVZZDROWOULBGR-NOZJJQNGSA-N	287.256	5.026	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(-c3ccccc3)s2)o1	35013493	LVEQNLXQHMKEOX-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
Cc1c([C@@H](C)NCc2ccccc2Cl)oc2ccccc12	37198919	QRLTVUBREIWPKR-CYBMUJFWSA-N	299.801	5.245	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H]2CCCc3sccc32)c(C)s1	61327613	QNCLSLGUQKGJGJ-ABAIWWIYSA-N	291.485	5.155	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1	314170257	ZMIJHSHMZDXXDA-IAGOWNOFSA-N	297.442	5.194	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1	315526607	IRARPYDYQHHBAJ-IRXDYDNUSA-N	297.442	5.194	0	20	CKAD	
Cc1noc([C@H](C)S[C@H](C)c2ccc3ccccc3c2)n1	604058143	JAYRBPOLPHQGBT-NEPJUHHUSA-N	298.411	5.087	0	20	CKAD	
Cc1ccc2oc(CN[C@H](C)c3cccc(Cl)c3)cc2c1	606912520	WKUNBKMSQUTUJN-CYBMUJFWSA-N	299.801	5.245	0	20	CKAD	
CC/C(C)=C(/C)C(=O)Nc1c(C(C)C)cccc1C(C)C	779705331	COBXDOKDYAITDD-PFONDFGASA-N	287.447	5.618	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2ccccc2)c(C(C)C)c1	46696448	DTXGDSHFVBJNBZ-UHFFFAOYSA-N	281.399	5.186	0	20	CKAD	
C[C@@H](SCc1csc(C2CC2)n1)c1cccc(F)c1	533945382	OMWZZGUCNNJUDF-SNVBAGLBSA-N	293.432	5.154	0	20	CKAD	
Cc1ccc2oc(CN[C@@H](C)c3cccc(Cl)c3)cc2c1	606912521	WKUNBKMSQUTUJN-ZDUSSCGKSA-N	299.801	5.245	0	20	CKAD	
Cc1cscc1CNCc1ccccc1-c1ccccc1	785522716	SSONJMCMRCASGT-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)ccc1F	50545294	VBCHQCPNROLFNO-SFHVURJKSA-N	285.406	5.011	0	20	CKAD	
CCC(CC)N(C(=O)c1occc1C)c1ccc(C)c(C)c1	63442272	MAGIPXZSWNKFLZ-UHFFFAOYSA-N	299.414	5.040	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2cccc3ccccc23)ccc1F	64845528	WFTCBOUJECQGSY-HNNXBMFYSA-N	293.385	5.138	0	20	CKAD	
C[C@H](N[C@H]1CCCc2ccccc21)c1csc(Cl)c1	230406846	YDSPCNCBBBXDNO-NHYWBVRUSA-N	291.847	5.130	0	20	CKAD	
CCc1cccc(C)c1NC(=O)Nc1ccc(C(C)C)cc1	242756735	DKAMGBLVAROICM-UHFFFAOYSA-N	296.414	5.325	0	20	CKAD	
Cc1cc(CSC(c2ccccc2)c2ccccc2)on1	247817902	FAQHVCDOCDKBJQ-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(C)c3ncccc23)cs1	381473091	LTGSHBSPVUZGNK-ZDUSSCGKSA-N	282.412	5.086	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccsc1	382108016	PLGBGBVPRDSSKP-DOMZBBRYSA-N	285.412	5.296	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccsc1	394252462	DNJOSJWWCFWTNW-AUUYWEPGSA-N	295.451	5.703	0	20	CKAD	
Cc1coc(S[C@@H](c2ccccc2)c2ccc(F)cc2)n1	478712110	RHRFNWDKSFBURR-INIZCTEOSA-N	299.370	5.004	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1	527848480	RDBVNDTWTQYZAA-JYJNAYRXSA-N	282.431	5.007	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](C)c1cccc(C)c1C	531711713	RAZZCAQGWQHMCL-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccoc1)c1ccc(Cl)cc1F	543799725	UOXLFIOEFDECKD-BZNIZROVSA-N	295.785	5.120	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)NCc2cc3cc(C)ccc3o2)c1	562903441	JHKQQTRKQBACLG-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
C[C@@H](Nc1cc(C(F)F)ccc1F)c1ccccc1F	630065585	BSWJHDAFBPWYQX-SECBINFHSA-N	283.268	5.076	0	20	CKAD	
CCN(C(=O)Nc1ccc2ccccc2c1)C1CCCCC1	732413288	NRNMEWIVCWLDGB-UHFFFAOYSA-N	296.414	5.026	0	20	CKAD	
C[C@H]1CC/C(=C/C(=O)Nc2ccccc2-c2ccccc2)C1	753577619	BIASFZWRTIYCGN-RIBQPWQFSA-N	291.394	5.039	0	20	CKAD	
Cc1ccc(/C=C(/Cl)c2nc3cc(F)ccc3o2)s1	756785642	DJMVHQGSEHCARK-YRNVUSSQSA-N	293.750	5.074	0	20	CKAD	
Cc1ccc(NC(=O)c2sccc2C(C)C)cc1Cl	48876879	NKZHQEIAGRGYCG-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
CC[C@H](Sc1nc2ccccc2o1)c1ccccc1	64367729	WAZOVFDVKBGEJK-HNNXBMFYSA-N	269.369	5.071	0	20	CKAD	
C[C@H](Nc1ccc(SC(C)(C)C)cc1)c1cccnc1	112541513	USRIWOCZIQPFRY-ZDUSSCGKSA-N	286.444	5.145	0	20	CKAD	
CCC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1	131337800	XKNGDXLSRNYRRK-KRWDZBQOSA-N	289.369	5.255	0	20	CKAD	
CCc1cccnc1[C@@H](C)N[C@H](c1ccccc1)C(C)(C)C	507521390	XRVNPORAJSDVNU-DNVCBOLYSA-N	296.458	5.082	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccc1)c1ccc(Cl)s1	532222573	SSKUYDFZLUZRMR-YPMHNXCESA-N	279.836	5.203	0	20	CKAD	
CCSCc1cccc(N[C@H](C)c2ccsc2)c1	538640926	UQBPTCBAJQVLII-GFCCVEGCSA-N	277.458	5.174	0	20	CKAD	
CCCCN(C(=O)CC(C)(C)CC)[C@H](C)c1ccc(C)o1	608584805	BKEBCFFZCGFJOJ-OAHLLOKOSA-N	293.451	5.104	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2cc3cnccc3o2)cc1	657941291	ZRFBKKQAOXOGBR-ZDUSSCGKSA-N	280.371	5.124	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1cccc(C)c1	191551611	AXTSRFLJJVWGEB-UHFFFAOYSA-N	295.426	5.323	0	20	CKAD	
Clc1ccc([C@H](NCc2ccsc2)C2CCC2)cc1	237797923	BLZHNQHMZCNLFH-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccsc1	382169775	VYFUZVZWFGTYAN-DLBZAZTESA-N	287.472	5.576	0	20	CKAD	
Cc1ccc(CNc2cccc(C(F)F)c2)cc1Cl	386124213	CSVRMSYMLFVVQO-UHFFFAOYSA-N	281.733	5.198	0	20	CKAD	
FC(F)Oc1ccc(CNc2cccc3ccccc23)cc1	386981818	ZSYKCGAIQLJDQE-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
Cc1cc([C@H](C)N[C@H]2CCc3sc(Cl)cc32)cs1	453243533	CPLXOXXSZLXKIK-CABZTGNLSA-N	297.876	5.110	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(C)(C)C	476888284	BZRWRQIICHKKSC-AWEZNQCLSA-N	275.436	5.129	0	20	CKAD	
CSc1cccc(N[C@H](C)CCCC(F)(F)F)c1C	480307312	KHIOJYZDDDFCNK-SNVBAGLBSA-N	291.382	5.250	0	20	CKAD	
C[C@@H](Nc1ccc(Cl)cn1)c1csc2ccccc12	742429447	BXELIMSRDAQORB-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CC[C@H](SCc1cccc(Cl)n1)c1ccccc1	743248949	XUTQUOGXUGLOMX-AWEZNQCLSA-N	277.820	5.120	0	20	CKAD	
Cc1ccccc1[C@@H](C)SCc1ncc(C(C)C)o1	764665317	FRFKVXIQSMLBAK-CYBMUJFWSA-N	275.417	5.101	0	20	CKAD	
CC/C(C)=C(\C)C(=O)Nc1c(CC)ccc(Cl)c1CC	779725253	PKNQFAGTXKDIAF-VAWYXSNFSA-N	293.838	5.150	0	20	CKAD	
CC(C)Oc1ccccc1N[C@H](C)CCCC(F)(F)F	163329343	HLSHYUNTRQHEDN-GFCCVEGCSA-N	289.341	5.007	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)C)cc1)c1ccsc1	382141798	QUCYITGHBVNMRE-QGZVFWFLSA-N	273.445	5.112	0	20	CKAD	
CCSc1ccccc1[C@@H](C)NC1CCC(F)(F)CC1	540148087	HDAKPLYPLPDIKM-GFCCVEGCSA-N	299.430	5.027	0	20	CKAD	
CCC/C=C/C(=O)Nc1ccc(SC(C)(C)C)cc1C	729358419	RMLZKYIOGDWFCW-CMDGGOBGSA-N	291.460	5.180	0	20	CKAD	
C/C(=C\C(=O)Nc1ccccc1-c1ccccc1)C(C)(C)C	742496475	QKBAGLWPHSNSKZ-CCEZHUSRSA-N	293.410	5.285	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)o1)c1ccc(Cl)cc1	36960353	JCVVHRFLRBOURK-DOMZBBRYSA-N	277.795	5.043	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccs1	37235269	OYUBSXUAPGKCTG-BZNIZROVSA-N	291.847	5.203	0	20	CKAD	
C[C@H](NCc1cc(-c2ccccc2)cs1)c1ccsc1	61361787	ZTEHZLDEWPCMEY-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1nccs1)c1cccs1	93403054	XVGYDYDSAVPQQS-BXUZGUMPSA-N	294.489	5.033	0	20	CKAD	
C[C@@H](Nc1ccc(SC(C)(C)C)cc1)c1ccccn1	179623281	ZTMYNFVZHPYSAY-CYBMUJFWSA-N	286.444	5.145	0	20	CKAD	
CC[C@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1	303537921	SRYDBEPWNIWJFM-ZWKOTPCHSA-N	285.818	5.068	0	20	CKAD	
CCC[C@H](NCc1cc(C)cs1)c1ccc(Cl)cc1	379269658	LLZNOBSTKIGTFC-INIZCTEOSA-N	293.863	5.341	0	20	CKAD	
CC[C@H](N[C@@H]1CCc2ccc(Cl)cc21)c1cccs1	479252663	KVVCUAUTBXEJNM-LSDHHAIUSA-N	291.847	5.130	0	20	CKAD	
C[C@@H](N[C@H](CC1CCC1)c1ccccc1)c1ccsc1	495412237	AMMQZLOMCYJHRW-RDTXWAMCSA-N	285.456	5.330	0	20	CKAD	
Cc1cnc([C@H](C)Nc2ccc3c(c2)C(C)(C)CC3(C)C)o1	537774767	RDDHQDGYNUPKMD-ZDUSSCGKSA-N	298.430	5.115	0	20	CKAD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1ccsc1	765833568	MRKFFUWUHFMPIQ-VXGBXAGGSA-N	287.453	5.375	0	20	CKAD	
CC(C)C[C@H](NCc1cscc1Cl)c1cccs1	771950601	FAAONHPNJDLTCZ-ZDUSSCGKSA-N	299.892	5.340	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1cccnc1)c1ccccc1	37228983	VRNXXLMMLGOSOP-APWZRJJASA-N	282.431	5.054	0	20	CKAD	
C[C@@H](N[C@@H](CC(F)(F)F)c1ccccc1)c1cccs1	37235517	AWBSKDQEHFWVLQ-YPMHNXCESA-N	299.361	5.092	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@H](C)c1cccs1	37780613	LKZFVQJONRVZGD-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
Clc1ncccc1CSc1ccc2ccccc2c1	52728463	WUUWPBNWXRGNNP-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc2ccccc2s1)c1ccncc1	188066634	JQIBKEGURILOBM-BBRMVZONSA-N	296.439	5.098	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1cc(C)oc1C	191546074	UBVFQJLYFRAFMP-UHFFFAOYSA-N	299.414	5.225	0	20	CKAD	
C[C@@H](SCc1ccccc1F)c1ncc(C(C)(C)C)o1	443187804	DIKIJPGTSZSCJL-LLVKDONJSA-N	293.407	5.106	0	20	CKAD	
Cc1c(CSC(C)C)cccc1NCc1ccsc1	462756263	RSAWHTFGVVMMJP-UHFFFAOYSA-N	291.485	5.310	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)oc1C	502405182	ISKFKQWEHZGDMX-LLVKDONJSA-N	296.370	5.088	0	20	CKAD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1cscn1	539739896	CXXPYLXVVNWEHB-LLVKDONJSA-N	286.425	5.045	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2cccc(Cl)c2)c1	602584641	NJSOXUKQXLIOCG-QWHCGFSZSA-N	289.806	5.221	0	20	CKAD	
CCCCCC[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1	741890596	NNWYXJPDWKDTSJ-LSDHHAIUSA-N	293.476	5.018	0	20	CKAD	
C[C@H](Sc1ccc(C(F)(F)F)cn1)c1cccs1	788844651	COWNBDOGVDQYKT-QMMMGPOBSA-N	289.347	5.015	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C(C)C)s1	36967523	AQQOTHRVOGYMTG-WMLDXEAASA-N	273.445	5.104	0	20	CKAD	
CSc1ccc(N[C@H](C)c2csc(Cl)c2)cc1	230411496	PMNATNZFCXLYKA-SECBINFHSA-N	283.849	5.297	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccsc1	443081970	XPTOWDQIEXQOFL-XHDPSFHLSA-N	295.398	5.218	0	20	CKAD	
CC[C@H](NCc1ccc(C)cc1C)c1ccc(Cl)s1	512220311	VELMRZUEVYOGNI-AWEZNQCLSA-N	293.863	5.259	0	20	CKAD	
Cc1cc(CSCCCc2cccc3ccccc23)on1	524066503	TYXZAQPUBONGSB-UHFFFAOYSA-N	297.423	5.002	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(CC(F)(F)F)cc2)s1	537450648	SVRICBDOZXIYOF-LLVKDONJSA-N	299.361	5.334	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(C3CC3)cc2)s1	679089029	FQVFNELKVBVSAL-GFCCVEGCSA-N	257.402	5.107	0	20	CKAD	
C/C=C(/C=C\C(=O)Nc1ccccc1-c1cccs1)CC	764710314	WHYWBUGJNJYLMM-UVTBFDEMSA-N	297.423	5.266	0	20	CKAD	
CCCCC[C@H](CC)C(=O)Nc1cc2[nH]ccc2cc1C	781549964	WOAVPOGWLGHBMY-AWEZNQCLSA-N	286.419	5.021	0	20	CKAD	
C[C@H](NCc1ccc(-c2ccccc2)s1)c1ccccc1	34994322	WHHUHSZFFVQBKS-HNNXBMFYSA-N	293.435	5.266	0	20	CKAD	
COc1ccccc1[C@@H](C)Nc1ccc2ccccc2c1	36951964	JVXSHYNJIGBVOC-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccccc2)C2CC2)c(C)s1	37075048	IRKMGFGVYYFPSV-UGSOOPFHSA-N	285.456	5.167	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1ccc(CC)cc1	46416101	ZFYYLORYRLVXNQ-UHFFFAOYSA-N	298.455	5.010	0	20	CKAD	
Cc1cccc(NC(=O)Nc2c(C)cccc2C(C)C)c1C	113525114	OOJIBFZIOSJHEB-UHFFFAOYSA-N	296.414	5.379	0	20	CKAD	
CC(F)(F)c1cccc(NCc2ccc3occc3c2)c1	511908361	OVWPSGDENKOWCJ-UHFFFAOYSA-N	287.309	5.157	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)s1)c1ccc(F)cc1F	531969047	LKTCJWWJHUWXDN-NHYWBVRUSA-N	295.398	5.137	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1cncs1)c1cccs1	536859340	TZVPZSVNGJIBLD-ABAIWWIYSA-N	294.489	5.033	0	20	CKAD	
C(=C\c1ccnc2ccccc12)\c1nc2ccccc2s1	731835520	HGMDLVYARUWNLS-KTKRTIGZSA-N	288.375	5.015	0	20	CKAD	
C/C=C(/C=C/C(=O)Nc1ccccc1-c1cccs1)CC	764710315	WHYWBUGJNJYLMM-WKWZSVOQSA-N	297.423	5.266	0	20	CKAD	
CCCCC[C@](C)(CC)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	780775021	ADUWBGUGCDTWAC-BJLQDIEVSA-N	299.458	5.401	0	20	CKAD	
Fc1ccc(CNc2ccc3occc3c2)c2ccccc12	864017603	SRAQBUAOJCXDLV-UHFFFAOYSA-N	291.325	5.337	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccccc1Cl	35055322	YGGFCFWUVOPCHH-SCLBCKFNSA-N	285.818	5.142	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)nc1)c1c(F)cccc1F	63430751	SOCHACNZPXLICS-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
C[C@H](Nc1ccc(Cl)cc1)c1cnc2ccsc2c1	85433061	KGBMYBQLCXVYLS-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
CCCCCC(=O)c1ccc2c(Cl)c(OC)ccc2c1	95642964	IQZRJHVNYJJDFG-UHFFFAOYSA-N	290.790	5.265	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](CC(F)F)c1ccccc1	421884252	UGSABPSKALIVTJ-WMLDXEAASA-N	289.369	5.042	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(C)C	472683595	NCXXGBZBGAPDCZ-OAHLLOKOSA-N	289.463	5.383	0	20	CKAD	
Cc1nnc([C@@H](C)S[C@@H](C)c2cccc3ccccc23)o1	532346314	CWJQHVKEOXNIJL-NWDGAFQWSA-N	298.411	5.087	0	20	CKAD	
CC[C@@H](Nc1ccc2cnn(C(C)C)c2c1)c1cccs1	538633850	LHSJMKYZSWKVKV-OAHLLOKOSA-N	299.443	5.242	0	20	CKAD	
Cc1cnc([C@H](C)S[C@@H](C)c2ccc(F)c(Cl)c2)o1	582597240	DWXJEOUYXPJLSS-UWVGGRQHSA-N	299.798	5.331	0	20	CKAD	
CC[C@@H](C)c1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1	623933161	UFAUCXXRHHQMNS-PMPSAXMXSA-N	282.431	5.007	0	20	CKAD	
C[C@@H](C(=O)Nc1ccccc1-c1cccs1)C1CCCC1	674077779	AJRCHMILCPZSQO-CYBMUJFWSA-N	299.439	5.180	0	20	CKAD	
C[C@H](SC1=Nc2ccccc2C1)c1cc(F)ccc1F	735794507	YLSUYLZWWJVLSZ-JTQLQIEISA-N	289.350	5.045	0	20	CKAD	
Cc1cc(CS[C@H](C)c2cccs2)c2ccccc2n1	737405628	IYFABMVDYVOANU-CYBMUJFWSA-N	299.464	5.599	0	20	CKAD	
C/C=C(/CC)C(=O)N(CCC)[C@H](C)c1cc2ccccc2o1	789628984	KVVZHJFPPBUGDL-IJENKCAZSA-N	299.414	5.089	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(OC(C)C)cc2)s1	20472774	RUTHGMDOFXSLKG-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1	37075372	KXENGQWDSCXYGH-MOPGFXCFSA-N	283.390	5.018	0	20	CKAD	
CC(C)c1ccc(NCc2nc3ccccc3s2)cc1	37977660	IOMUPXJQUAHUAM-UHFFFAOYSA-N	282.412	5.032	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1cccc(F)c1F	231635019	XKIQZWKZRBHDLY-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
C[C@@H](Sc1ccc(F)cc1)c1ncc(-c2ccccc2)o1	303679740	ISOJRFOLQJLLGY-GFCCVEGCSA-N	299.370	5.334	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccccc2)C2CCC2)oc1C	502707950	OOEAIYGBWSXJJJ-IFXJQAMLSA-N	283.415	5.088	0	20	CKAD	
C[C@H](Nc1ccc(F)c(C2CC2)c1)c1nc2ccccc2o1	507486595	OZMQAPBLVQSVGX-NSHDSACASA-N	296.345	5.017	0	20	CKAD	
Cc1ccc(-c2ccncc2)cc1N[C@H](C)c1ccccc1	523206344	ZWDPEYAYRMHNAW-MRXNPFEDSA-N	288.394	5.230	0	20	CKAD	
CC[C@H](N[C@@H](c1cccs1)C1CC1)c1ccc(F)cc1	531942572	LQOUVMOWPHNJLN-DOTOQJQBSA-N	289.419	5.079	0	20	CKAD	
C/C=C\c1ccc(NC(=O)c2ccccc2SCC)cc1	557965631	DCPGWTBZLSJCBQ-CLTKARDFSA-N	297.423	5.084	0	20	CKAD	
c1ccc2c3c(sc2c1)[C@@H](NCc1ccsc1)CCC3	560909627	OXXMIGJLVCHWNP-HNNXBMFYSA-N	299.464	5.130	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21	572201835	VDENAPDRYWCLFB-SUNYJGFJSA-N	297.467	5.308	0	20	CKAD	
C[C@H](S[C@H](C)c1ccc(Cl)cc1)c1ccncc1	609484125	SVOLXUDRBSSKIN-NEPJUHHUSA-N	277.820	5.290	0	20	CKAD	
Clc1cscc1CN[C@H](c1ccccc1)C1CCC1	771949715	XPYWASHJMDFENS-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccsc1	50342430	FJGDIETWKDRWIG-MNOVXSKESA-N	299.361	5.179	0	20	CKAD	
Cc1cc(C)c([C@@H](C)N[C@H](C)c2ccsc2)c(C)c1	61360793	NKQCCKLQXXWBRI-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
C[C@H](SCc1ccc(Cl)nc1)c1cccc(Cl)c1	303310000	RVNABYDKBJFLQT-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CCCOc1ccccc1N[C@H](C)c1csc(C)c1	381626648	UKUMKRSHIIXJTP-CYBMUJFWSA-N	275.417	5.018	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccsc1)c1cccs1	382122993	ZFSZBHAXWGYBEQ-OLZOCXBDSA-N	265.447	5.002	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2F)c(C)o1	481029454	YSISPBQTKNDFJC-WDEREUQCSA-N	295.785	5.101	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H]2CCSc3ccccc32)c1C	531711741	WEKMPNWIAWVBSN-MAUKXSAKSA-N	297.467	5.191	0	20	CKAD	
CCc1cnc(CS[C@H](C)c2ccc(F)c(Cl)c2)o1	531857944	GVYFPVYGWOQNAB-SECBINFHSA-N	299.798	5.024	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1cnccc1C)c1ccccc1	537889507	XUFATHFQJAPUIA-UZLBHIALSA-N	296.458	5.218	0	20	CKAD	
CCc1cc(C)cc(CC)c1NC(=O)c1occc1C(C)C	575337132	CCALFVISRQPKFO-UHFFFAOYSA-N	299.414	5.089	0	20	CKAD	
CCCC(CCC)S[C@@H]1CCO[C@@H](c2cccnc2)C1	600521816	VQQUCLHDRFYECU-IAGOWNOFSA-N	293.476	5.004	0	20	CKAD	
C[C@@H](SCc1cccc2cccnc12)c1cccs1	737404817	IJOMUWJQBKWVJQ-GFCCVEGCSA-N	285.437	5.291	0	20	CKAD	
CCC/C(C)=C/C(=O)N(CCC)[C@H](CC)c1ccccc1	920217778	BUHFLKLCQAIZMP-WXWBBQJKSA-N	287.447	5.123	0	20	CKAD	
CCC[C@@H](NCc1ccc(SC)cc1)c1ccccc1	10436219	JFKUCNAIYUZKLO-GOSISDBHSA-N	285.456	5.040	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H]2CCSc3ccccc32)c(C)c1	37128096	LVJUYPFEHSJVRV-CRAIPNDOSA-N	297.467	5.191	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1cc(C)ccc1C	46416112	AABHRXDDSPZKRB-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cccc3ccccc23)cs1	381718014	JJSLUDNFJWQXLN-LSDHHAIUSA-N	295.451	5.622	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)c2ccc(F)c(F)c2)s1	437279277	WPNSVZBPJZIRSM-VIFPVBQESA-N	299.411	5.033	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccccn1	500644513	BOWYRMFSQYPFMS-JXFKEZNVSA-N	296.458	5.397	0	20	CKAD	
C[C@@H]1C[C@H]1c1ccc(CN[C@@H](c2ccccc2)C2CCC2)o1	591697646	FAQIIDUKGCAXNG-DJKXOVBDSA-N	295.426	5.034	0	20	CKAD	
CCC(C)(C)CC(=O)Nc1cc(C(F)F)ccc1Cl	676112416	CZAOTMRRZHKUFX-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
CC[C@@H](C)c1ccc([C@@H](NCc2ccccn2)C(C)C)cc1	236896914	WUGNRRVLWHLZMV-UZLBHIALSA-N	296.458	5.082	0	20	CKAD	
Clc1ccc([C@H](NCc2cccs2)C2CCC2)cc1	237797845	YNWUFLXWVMUXDE-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc3ccccc23)cc1	314170145	VBWYOSUTYFIPRV-IAGOWNOFSA-N	289.422	5.560	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)cs1	381681630	DFDFLNBUDCOZHL-GUYCJALGSA-N	291.435	5.244	0	20	CKAD	
C[C@@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccsc1	484297750	VDLGGYAOLKEONR-MLGOLLRUSA-N	291.435	5.325	0	20	CKAD	
CC(C)c1nc(CSCCCCC(F)(F)F)cs1	507632970	BZVNPWLLNUMOAL-UHFFFAOYSA-N	297.411	5.232	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H]1C[C@@H](C)c2ccccc21	564222399	VDENAPDRYWCLFB-LBTNJELSSA-N	297.467	5.308	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2c(Cl)cccc21)c1ccsc1	669850997	QYRCYTFKZSQLDV-BZNIZROVSA-N	291.847	5.130	0	20	CKAD	
C[C@H](S[C@@H](C)c1cccs1)c1nc2ccccc2o1	777933506	NVHGHODMRZIZQA-QWRGUYRKSA-N	289.425	5.445	0	20	CKAD	
COc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1	21806135	SWMBYTPAPKWGDL-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
Cc1cccc(C)c1NC(=O)C[C@@H](c1ccccc1)C(C)C	96651071	RMZVFBBXELEYMA-GOSISDBHSA-N	295.426	5.072	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2cccc(C(F)F)c2)c(C)c1	131820471	XSNDVQRPYZZTRU-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
CC[C@H](NCc1ccc(C(F)F)cc1)c1cccc(F)c1	188472574	NHFMIMMYFVZURI-INIZCTEOSA-N	293.332	5.004	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1cc2ccccc2o1	195614315	HPRMVMRSLBQHNC-VLIAUNLRSA-N	291.394	5.235	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccccc1F	302947447	LRFZZEDSQHAFQQ-HUUCEWRRSA-N	293.385	5.391	0	20	CKAD	
C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccccc1F	381444810	XEZLSTSAYNXCJX-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CC[C@@H](C)c1ccc(-c2csc([C@@H]3CCCO3)n2)cc1	441368913	CJASLRKHKFJZQC-WBMJQRKESA-N	287.428	5.175	0	20	CKAD	
CCSc1ccc([C@H](C)Nc2nccc3occc23)cc1	462825364	HJTIBRJRBKGGLA-LBPRGKRZSA-N	298.411	5.113	0	20	CKAD	
CCC[C@@H](Nc1ccc(C(C)C)cc1)c1cccnc1	544613312	BUXQUBIQEYYHOE-GOSISDBHSA-N	268.404	5.158	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1cccs1	563825111	GHBWOCXLMPFVRD-OLZOCXBDSA-N	271.429	5.037	0	20	CKAD	
C[C@H](Nc1cc(C(F)F)ccc1F)c1ccccc1F	630065586	BSWJHDAFBPWYQX-VIFPVBQESA-N	283.268	5.076	0	20	CKAD	
C[C@@H](Cc1ccsc1)Nc1ccccc1NC(C)(C)C	798935536	QOQDDSMEPLCWNA-ZDUSSCGKSA-N	288.460	5.002	0	20	CKAD	
C[C@H](Sc1nc(-c2ccccc2)cs1)c1ccncc1	920242189	ZHSJBQVSGQXNFV-LBPRGKRZSA-N	298.436	5.058	0	20	CKAD	
CCC[C@H](Nc1ccc(C)c(OC(C)C)c1)c1cccnc1	494494948	MJYLJXDNHJWKGQ-SFHVURJKSA-N	298.430	5.131	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccc(Cl)s1	531712613	OZTMSWRYOAPUAF-GXFFZTMASA-N	297.826	5.343	0	20	CKAD	
CC(C)(C)c1nc(CSCc2ccc(F)cc2)cs1	604048790	ONWZPSQXINELFP-UHFFFAOYSA-N	295.448	5.013	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)cc1	36992289	WPDICFIULVHXHZ-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
CSc1ccc(N[C@H](CC(C)C)c2ccccn2)cc1	182813384	AQQPEPNPWPMJOD-QGZVFWFLSA-N	286.444	5.003	0	20	CKAD	
C[C@H](Sc1cccs1)c1cccc(Cl)c1	303667642	IXLKAZRIQOWSOC-VIFPVBQESA-N	254.807	5.255	0	20	CKAD	
CC[C@]1(C)C[C@@H]1C(=O)Nc1c(C(C)C)cccc1C(C)C	466413115	CBBHAZFXILCJTP-VQIMIIECSA-N	287.447	5.308	0	20	CKAD	
CC[C@@H](c1ccccc1)[S@@](=O)c1ccc2ccccc2c1	475048585	IDJSFYLPCSUGSD-FPOVZHCZSA-N	294.419	5.099	0	20	CKAD	
Cc1cccc([C@@H](C)[S@](=O)c2ccc3ccccc3c2)c1	475050767	ULLPOFHOSUSBMV-VFNWGFHPSA-N	294.419	5.017	0	20	CKAD	
C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1nc2ccccc2o1	558327884	HQKJMLVQOJXQRA-CYBMUJFWSA-N	294.398	5.298	0	20	CKAD	
CC[C@H](C)Oc1cccc(N[C@H](c2cccnc2)C(C)C)c1	559878726	SJBZYRIRDNLTNX-KXBFYZLASA-N	298.430	5.068	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cccs1)c1cccs1	49529251	DHYKDHMAFXJSKC-RYUDHWBXSA-N	265.447	5.002	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(Cl)cc1	231635025	XKIQZWKZRBHDLY-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc2ccccc2o1)c1ccsc1	382108027	PLGBGBVPRDSSKP-WFASDCNBSA-N	285.412	5.296	0	20	CKAD	
CC(C)[C@H](C)Sc1nnc(-c2cccc3ccccc23)o1	430147227	KTADTQWFUDBLJR-LBPRGKRZSA-N	298.411	5.026	0	20	CKAD	
C[C@@H](SCc1ncccc1C(F)(F)F)c1ccccc1	432246998	PDIKTQZXRSCEEC-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
CC[C@@H](SCc1sc(C)nc1C)c1ccc(F)cc1	437291073	UZKXIOLWJCCJSC-CQSZACIVSA-N	295.448	5.284	0	20	CKAD	
Cc1cccc([C@@H](C)NCc2ccc(C(F)F)cc2)c1C	461366695	POXHTRURMVMMFE-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
CC(C)Sc1ccccc1NCCCCOC(C)(C)C	473662011	HBWKYWXUDHSNNB-UHFFFAOYSA-N	295.492	5.194	0	20	CKAD	
CC[C@@H](NCc1cscc1C)c1ccc(Cl)s1	494482186	DVJUBKYZNDGYIW-LLVKDONJSA-N	285.865	5.012	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@@H](C)c2csc3ccccc23)c1	768216486	HTEHTMOTHNZALD-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1coc2ccccc12	798499786	BESJESVJJOJGTC-UHFFFAOYSA-N	294.398	5.255	0	20	CKAD	
CC[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cn1	161777976	IMPJSXIWYANRPF-MRXNPFEDSA-N	286.394	5.081	0	20	CKAD	
CC[C@@H](NCc1occc1C)c1ccc(Cl)c(Cl)c1	311893327	BAIGQEQWWAVOCN-CQSZACIVSA-N	298.213	5.136	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc2ncsc2c1	485824872	SZLKZXSHQSLUSE-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CCC[C@@H](NCc1ccc(SC)s1)c1ccccc1	516516151	KIIVSORRVGMPBO-OAHLLOKOSA-N	291.485	5.101	0	20	CKAD	
C[C@H](Sc1cccs1)c1ccc(OC(F)F)cc1	524034099	IBNFYSVLFFAOIJ-VIFPVBQESA-N	286.368	5.203	0	20	CKAD	
CC[C@@H](N[C@H]1CCc2ccccc21)c1ccc(Cl)s1	531711582	OUUOJBJGPOQMGL-KGLIPLIRSA-N	291.847	5.130	0	20	CKAD	
Cc1ccc(Cl)cc1N[C@@H](C)c1ccc(C(F)F)nc1	657940956	OUMGOBQAPLNXGO-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
C[C@H](SCc1ccc(F)c(F)c1)c1cccs1	737406442	PECGFOTYCBJOPR-VIFPVBQESA-N	270.369	5.021	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1ccccc1	19878199	NRWPJJFNHXBWDM-JKSUJKDBSA-N	275.395	5.252	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1	37075145	CPOOSCBASWMFAB-LIRRHRJNSA-N	297.467	5.210	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1F	134645335	RSHCUKXIMLIBGZ-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1sccc1C1CC1	301767102	VXFCAURSBSEJQO-UHFFFAOYSA-N	299.439	5.310	0	20	CKAD	
Cc1cccc(C)c1NCc1csc(C2CCCC2)n1	444423590	RWRLEVCBOSMIFP-UHFFFAOYSA-N	286.444	5.030	0	20	CKAD	
Cc1cccc(C)c1[C@H](C)NCc1cccc(C(F)F)c1	470776668	LDYQQJIEOCEYNQ-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
Clc1cccc2nc(-c3ccnc4ccccc34)sc12	518737134	IGTZZKMMVITADW-UHFFFAOYSA-N	296.782	5.165	0	20	CKAD	
Cc1cc(CS[C@H](C)c2cccc3ccccc23)on1	518740460	GKCFAKLMBVSZSV-CYBMUJFWSA-N	283.396	5.131	0	20	CKAD	
C[C@@H](SCc1ccc2ccccc2n1)c1ccc(F)cc1	522828964	FUOWUIJGZDBNMI-CYBMUJFWSA-N	297.398	5.368	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CCCC1CC1	643366225	CXARQLQGGPQCDL-UHFFFAOYSA-N	287.447	5.452	0	20	CKAD	
CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccsc2)c2ccccc21	669851035	SOJPOZMKLPJXKM-DOPJRALCSA-N	285.456	5.283	0	20	CKAD	
Clc1ccc2c(n1)[C@H](Nc1ccc(C3CCC3)cc1)CC2	788797945	ZLGADEVLOGBTSN-MRXNPFEDSA-N	298.817	5.102	0	20	CKAD	
Cc1cccc(CNCc2cc(-c3ccccc3)cs2)c1	38030741	XQAXYDSKPUTLPM-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CSc1cccc(NCc2csc3ccccc23)c1	48330161	XJVMQFSUOKZMHF-UHFFFAOYSA-N	285.437	5.235	0	20	CKAD	
c1ccc(N(c2ccccc2)C2CCCCC2)cc1	114229163	VRUKENOGLFMZNY-UHFFFAOYSA-N	251.373	5.157	0	20	CKAD	
CCc1ccc([C@H](C)Nc2cccc3ccncc23)s1	131447034	SLAXDTZPHJOKJV-LBPRGKRZSA-N	282.412	5.032	0	20	CKAD	
CC[C@@H](Nc1ccc(SC)cc1)c1ccsc1	382105831	NZTGFNAUQRGLTP-CQSZACIVSA-N	263.431	5.033	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](CC(F)F)c1ccccc1	421885335	USBUJPBINIMGRX-TZMCWYRMSA-N	295.398	5.104	0	20	CKAD	
CCO[C@H](C)c1nc(CSCCC2CCCC2)cs1	437280802	MGQNWLRHMSLSIS-GFCCVEGCSA-N	299.505	5.054	0	20	CKAD	
CSc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1C	537144783	FNSXBJGGVVQCSC-UHFFFAOYSA-N	299.439	5.093	0	20	CKAD	
Cc1cnc([C@H](C)SCc2ccc(C(C)C)cc2)o1	537796583	XSNAFJNUWOLIDX-ZDUSSCGKSA-N	275.417	5.101	0	20	CKAD	
CC(C)S[C@H](C)c1nnc(-c2ccc3ccccc3c2)o1	612429361	ZRTCLYWOWQUSGP-GFCCVEGCSA-N	298.411	5.092	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775624238	YZASKQZLMXDVBF-QAPCUYQASA-N	292.426	5.360	0	20	CKAD	
CC(C)[C@H](Nc1ccc2ccccc2c1)c1ccc(F)cn1	779419419	XZSOSMUVECKLON-IBGZPJMESA-N	294.373	5.183	0	20	CKAD	
CC/C(C)=C(/C)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	779865737	OXEKXALLQBCDFG-PLFFATQSSA-N	299.414	5.089	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2ccc(F)c(Cl)c2)cc1	21062085	BLQNLCQXCDKIEG-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
CC(C)[C@@H](NCc1ccc(Cl)s1)c1ccc(F)cc1	35046609	DIXNVOSJQJSIEV-OAHLLOKOSA-N	297.826	5.028	0	20	CKAD	
CC[C@H](NCc1ccc(F)c(C)c1)c1ccc(Cl)cc1	50545265	NNIOYHHANCSGRM-KRWDZBQOSA-N	291.797	5.028	0	20	CKAD	
CCCOc1ccc(NCc2ccc(C(F)F)cc2)cc1	131383860	JYIBGNSIZIZORP-UHFFFAOYSA-N	291.341	5.025	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(F)c1F)c1cccc(Cl)c1	231635075	WNIPKNUHRVWTRV-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1cc2ccccc2o1	539084427	UIDLVAYGAWBUOB-CKNLXJGOSA-N	291.394	5.017	0	20	CKAD	
Cc1occc1CN[C@H](C)c1ccc(-c2ccccc2)cc1	675780359	XGBQAQDFPCQFDQ-OAHLLOKOSA-N	291.394	5.106	0	20	CKAD	
CCCc1ccc([C@H](C)N[C@H](CCC)c2ccccn2)cc1	675817113	RXCDYDRYOMPPIF-OXJNMPFZSA-N	296.458	5.226	0	20	CKAD	
C[C@H](Sc1ccnc(-c2ccccc2)n1)c1cccs1	737424664	LJNZTRYJBWIOIR-LBPRGKRZSA-N	298.436	5.058	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccnc1)c1cccc2ccccc12	886790455	DBFUJYJAZZTPLR-FOIQADDNSA-N	290.410	5.037	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc2c(c1)CCC2)c1cccs1	49529279	FBWRVPKCEAIRFL-CXAGYDPISA-N	285.456	5.039	0	20	CKAD	
Cc1ccccc1CSCc1ncc(-c2ccccc2)o1	58172256	XTFGFNANFGNJII-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
Cc1cc(CSCCCc2cccc3ccccc23)no1	303757162	JTHRYIMUPNDPQF-UHFFFAOYSA-N	297.423	5.002	0	20	CKAD	
c1ccc2c(-c3nc(-c4nccs4)cs3)cccc2c1	447176106	JAOGFLOOFYBXID-UHFFFAOYSA-N	294.404	5.087	0	20	CKAD	
c1cc(NCc2ccc3ncccc3c2)cc(C2CCC2)c1	461738769	UIZBBGQLPBOJNZ-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
COc1ccc([C@@H](C)Nc2ccc(C)cc2C)cc1Cl	507458265	FKTKVWUFLPDGQJ-CYBMUJFWSA-N	289.806	5.139	0	20	CKAD	
CC[C@H](N[C@@H]1CCc2c(Cl)cccc21)c1cccs1	537938516	CFRPFRCTMIDIGR-LSDHHAIUSA-N	291.847	5.130	0	20	CKAD	
C[C@@H](Sc1ccc(-c2ccccc2)cc1)c1ccncc1	605077221	MLWYQKSKZNRMMA-OAHLLOKOSA-N	291.419	5.602	0	20	CKAD	
Cc1c(Cl)cccc1N[C@H](C)c1ccc(C(F)F)nc1	657958422	OOJFDCGDWNTGLR-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
CCCCCC[C@@](C)(CCC)C(=O)Nc1c(C)noc1C	744360032	NKZVSRMDPWDEDK-QGZVFWFLSA-N	294.439	5.007	0	20	CKAD	
CC[C@@H](NCc1ccc(CF)cc1)c1ccc(Cl)cc1	777723403	IBVVSOGOYAULOT-QGZVFWFLSA-N	291.797	5.050	0	20	CKAD	
COc1cccc([C@@H](C)Nc2cccc3ccccc23)c1	19900869	FBLGDIVPTBKIFW-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccs1)c1cccc(Cl)c1	21061357	PLCAOEICKPWVGN-SMDDNHRTSA-N	279.836	5.203	0	20	CKAD	
CC[C@@H](NCc1ccccc1Cl)c1cccc(Cl)c1	21818679	YZWKWXVOBZIRJE-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](c1ccccc1)c1ccco1	120367045	SLGDLEJPCHLCRD-JXFKEZNVSA-N	291.394	5.028	0	20	CKAD	
c1ccc([C@@H](NCc2cc3ccccc3s2)C2CC2)cc1	236730810	NGUDSPSBKCEXHJ-LJQANCHMSA-N	293.435	5.142	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NCc1ncc(C2CC2)o1	352548369	QGMNUCNHZDKFPH-UHFFFAOYSA-N	298.430	5.411	0	20	CKAD	
CCSc1ccc([C@H](C)Nc2ccc(Cl)cn2)cc1	463053687	JNBOHWWKFWMQDO-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
C[C@@H](Sc1ccc(F)c(F)c1)c1ncc(C(C)(C)C)o1	476474112	ZYBUDFDRUNYMPO-SECBINFHSA-N	297.370	5.104	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccc(F)cc1F)c1cccs1	531713736	SQPLSIZDPVNXRT-CABCVRRESA-N	295.398	5.218	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1ccco1)c1cccs1	539067178	BGCRPSRMTLMQPI-LRDDRELGSA-N	277.433	5.169	0	20	CKAD	
CC[C@@H](C)c1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1	623933160	UFAUCXXRHHQMNS-OAGGEKHMSA-N	282.431	5.007	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775624237	YZASKQZLMXDVBF-MAUKXSAKSA-N	292.426	5.360	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2ccc(F)cc2)cc1	21520372	ZGQIHKFOISBBPE-CYBMUJFWSA-N	257.352	5.122	0	20	CKAD	
Cc1c(-c2csc(-c3ccoc3)n2)oc2ccccc12	78527094	OYCKLMVKJGFHFI-UHFFFAOYSA-N	281.336	5.125	0	20	CKAD	
Cc1ncc([C@@H](C)N[C@H](C)c2cccc3ccccc23)s1	90399650	KBDVKCXUKFUMFK-CHWSQXEVSA-N	296.439	5.017	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CCC(C)C	191552128	UWYPOWBNRFVWEC-UHFFFAOYSA-N	275.436	5.137	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1Cl	225011666	JIGUCULWTDHXBA-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccsc1	382169781	VYFUZVZWFGTYAN-SJORKVTESA-N	287.472	5.576	0	20	CKAD	
C(=C/c1nc2c(ccc3ccccc32)s1)\c1cncs1	486514395	BZYPHZLXJCRIGI-SOFGYWHQSA-N	294.404	5.076	0	20	CKAD	
C[C@@H](SCc1ccc2ccccc2n1)c1ccccc1	524242988	RHHKIWQSMQLFEG-CQSZACIVSA-N	279.408	5.229	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1cc(C(C)C)oc1C	556880762	SYCMKPCZZBPEMO-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
C[C@@H](N[C@@H](CC1CC1)c1ccccc1)c1ccccc1F	608376086	IGKIYLNYTHAJQL-KUHUBIRLSA-N	283.390	5.018	0	20	CKAD	
C[C@H](SCc1ccnc(Cl)c1)c1ccc(Cl)cc1	748590336	XAEPEBVYNLZXKP-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)cc1	36992291	WPDICFIULVHXHZ-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
Cc1cc([C@H](C)NCc2cccc(Cl)c2Cl)c(C)o1	44729493	NXACBSDNYSWKKI-JTQLQIEISA-N	298.213	5.054	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1cc(C)cc(C)c1	46416108	HHMLMBMHRVJVOX-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
CC(C)c1ccccc1NC(=O)/C=C\c1ccc(Cl)cc1	108809667	PWOZTYSQUINYFK-XFXZXTDPSA-N	299.801	5.115	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3s2)c(C)o1	126527696	PDMRSGRXBNTEDB-QWHCGFSZSA-N	299.439	5.523	0	20	CKAD	
Cl/C(=C/c1cccs1)c1nc2ccccc2s1	213508497	RLZBNMZMCLRDCX-CSKARUKUSA-N	277.801	5.095	0	20	CKAD	
Cc1cc2c(cc1C)[C@H](N[C@H](C)c1ccccc1)CCS2	427576827	GSEIZPXAKMBVQZ-CRAIPNDOSA-N	297.467	5.191	0	20	CKAD	
Cc1cccc([C@H](C)SCc2cc(-c3ccco3)on2)c1	437292276	UYQILCZFCQNAHP-ZDUSSCGKSA-N	299.395	5.237	0	20	CKAD	
CC[C@@H](Nc1cccc([C@H](C)OC)c1)c1cccc(F)c1	446890766	PBVXBBLIPIPDBA-SCLBCKFNSA-N	287.378	5.096	0	20	CKAD	
CC[C@@H](NCc1cc2c(C)c(C)ccc2[nH]1)c1ccccc1	472072093	GQXSDNNTHFUKAS-LJQANCHMSA-N	292.426	5.026	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1cccc(Cl)c1F	477835963	KIOUYTOKFXQFBV-SECBINFHSA-N	299.723	5.590	0	20	CKAD	
CCSc1ccccc1[C@@H](C)N[C@@H](C)c1ccccc1	479866123	MFTNBMPEJXEVKM-LSDHHAIUSA-N	285.456	5.210	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccccc1)c1ccc(F)cc1F	484524058	WOYQHGCUSIDTRB-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CSCCc1ccccc1NCc1ccccc1C1CC1	600857580	COHUZAIQHMWATN-UHFFFAOYSA-N	297.467	5.082	0	20	CKAD	
CCCCC[C@@H](C(=O)N1[C@H]2CC[C@H]1c1ccccc12)C(C)C	755337642	KGPCAZIIANXVSV-MNEFBYGVSA-N	299.458	5.257	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(Cl)c2)cc1	21511769	SICVSQYALPIYEI-UONOGXRCSA-N	273.807	5.060	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)C)cc1)c1ccccc1	45040107	BZKPTSRBSDBZHB-IBGZPJMESA-N	267.416	5.051	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc(SC(F)F)cc1	70090287	QUDAFJQDZOKAPD-SNVBAGLBSA-N	299.411	5.544	0	20	CKAD	
Cc1c([C@H](C)NCCCCC(F)(F)F)oc2ccccc12	130467566	SBPDRZHTEGTLQV-LBPRGKRZSA-N	299.336	5.124	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C(C)C)c1ccsc1	382138031	QAWCSOOMQSIRCU-SJORKVTESA-N	273.445	5.186	0	20	CKAD	
Clc1ccc(-c2nc(CSCC3CCC3)co2)cc1	437278626	ULRVGVXNVFJMLZ-UHFFFAOYSA-N	293.819	5.028	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@@H](C)c2cc3ccccc3o2)c1C	477924752	GTOCFCGRKSZGSF-STQMWFEESA-N	297.402	5.082	0	20	CKAD	
CCCc1nc(CSc2ccc(Cl)cc2)cs1	495309176	ANNDZCHHQHFEOB-UHFFFAOYSA-N	283.849	5.041	0	20	CKAD	
Cc1cc2cc(N[C@@H](C)c3cccc(Cl)c3)ccc2[nH]1	500286855	JDOCSWGDDUWVMQ-LBPRGKRZSA-N	284.790	5.303	0	20	CKAD	
CC(C)C[C@@H](N[C@@H](C)c1cccs1)c1cccs1	539093050	JWUFTGNCMLJRAE-QWHCGFSZSA-N	279.474	5.248	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1	678427385	NGOOGRWBNFCFHI-CVEARBPZSA-N	296.458	5.099	0	20	CKAD	
C[C@@H](Nc1nccc2occc12)c1csc2ccccc12	742404029	MJWNDSDZTBLLGD-LLVKDONJSA-N	294.379	5.216	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1ccc(Cl)nc1	812739734	ZSYPRGIYPPSAPJ-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
CCc1cccc(N[C@H](C)c2ccc(OC(F)F)cc2)c1	20548932	QJPXVNWHFSCATP-GFCCVEGCSA-N	291.341	5.024	0	20	CKAD	
CC[C@H](N[C@H](C)c1nc2ccccc2s1)c1ccccc1	51626347	KLFRPJLZHFQPFD-HIFRSBDPSA-N	296.439	5.098	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1	94868597	UXJSPPHPLKJXRW-KBXCAEBGSA-N	271.404	5.108	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(C)sc1C)CC2	126486543	MMUPKYYIVHVWAD-ACJLOTCBSA-N	285.456	5.011	0	20	CKAD	
C(=C\c1nc2ccccc2s1)\C=C\c1ccccc1	141516729	NOQJWWXFGZZLQT-XTJAGSLBSA-N	263.365	5.023	0	20	CKAD	
CC(C)C[C@@H](NCc1cccc2cc[nH]c12)c1ccccc1	236623720	GVVPXIOMPMPABJ-LJQANCHMSA-N	292.426	5.045	0	20	CKAD	
Cc1ccc([C@H]2CCCCN2C(=O)CCC2CCCC2)cc1	303940294	XEJGZDHLPVXZKZ-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CCC[C@@H](Nc1cscc1C)c1ccsc1	310030905	RCCDHEYWMYRSHT-GFCCVEGCSA-N	251.420	5.071	0	20	CKAD	
Cc1cccc([C@@H](C)SCc2sc(C)nc2C)c1	437451976	WJOWPYDYPUFGBL-GFCCVEGCSA-N	277.458	5.063	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cc3cccc(F)c3o2)c1	474105934	LSMNSXIMQIVXIF-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)s1	482442442	YZZYLURKTQAWCB-RDTXWAMCSA-N	285.456	5.249	0	20	CKAD	
CC(C)CCC(=O)Nc1ccccc1SC1CCCC1	483286065	VABDUCGKWXZNJR-UHFFFAOYSA-N	291.460	5.096	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)CCC(C)C)c(C)c1	499728630	YKXKKJQAOYSFNN-CQSZACIVSA-N	293.476	5.260	0	20	CKAD	
Cc1ccccc1CN[C@H](C)c1ccc(SC(C)C)cc1	504037206	VKQVIJFKQQXSJA-MRXNPFEDSA-N	299.483	5.346	0	20	CKAD	
CSCc1ccc(N[C@H](C)c2ccc(C)s2)cc1	537530570	MVLVFRHKNGZDOI-GFCCVEGCSA-N	277.458	5.093	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCc3c(Cl)cccc32)s1	537945265	HFJGFLBNVYADLI-NHYWBVRUSA-N	291.847	5.048	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2ccc(F)cc2C)c1	815612182	GGFLREGXZQQCJM-ZIAGYGMSSA-N	287.378	5.015	0	20	CKAD	
C[C@H](NCc1ccc(Cl)cc1)c1cccc2ccccc12	20020903	BXZUYLJHHJGFIO-AWEZNQCLSA-N	295.813	5.344	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1	20552472	DHZJYNTZCXOWGJ-CABCVRRESA-N	279.383	5.153	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccc(F)cc1)c1ccc(F)cc1	35019578	GMNOLOKYDUKTBP-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](C)c1cccc(Cl)c1	70089901	YSALJIAGUNEVPD-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1nc2ccccc2o1	182420414	VHKVASCKGRFAJR-ZDUSSCGKSA-N	288.350	5.154	0	20	CKAD	
CC(C)c1ccccc1NC(=O)C[C@H](C)c1cccc(F)c1	303726470	SVFSSQQMRFWIND-AWEZNQCLSA-N	299.389	5.081	0	20	CKAD	
CCO[C@H](C)c1nc(-c2cc(CC)ccc2CC)cs1	437648020	FIMMPEJMODVLQF-GFCCVEGCSA-N	289.444	5.032	0	20	CKAD	
Fc1cncc([C@H](Nc2ccc(C3CCC3)cc2)C2CC2)c1	467362879	USHUUTYATDKLCI-LJQANCHMSA-N	296.389	5.051	0	20	CKAD	
C[C@@H](Nc1cccc(-c2cccs2)c1)c1ccc(F)cn1	538641510	YXHMIMCIMXKRIA-GFCCVEGCSA-N	298.386	5.122	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H]2CCCC[C@@H]2C)c(Cl)c1	620326498	DRLUIBDQTWNFHQ-GXTWGEPZSA-N	293.838	5.112	0	20	CKAD	
CC[C@@H](c1ccccc1)[S@](=O)[C@H](CC)c1ccccc1	246314811	FAVMOPVFMUHGTI-OPVJXMOQSA-N	286.440	5.038	0	20	CKAD	
CC[C@@H](Nc1cc(Cl)c(N)c(Cl)c1)c1ccccc1	303536760	SKGGSLKVNJQJHX-CQSZACIVSA-N	295.213	5.139	0	20	CKAD	
CCC[C@@H](NCc1ccc(C(C)(C)C)cc1)c1cccnc1	542678096	QKQIGDZCNQNWPT-LJQANCHMSA-N	296.458	5.010	0	20	CKAD	
CC1=CC[C@@H](Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1	556251764	AVYLUXMBSYAJOB-MRXNPFEDSA-N	294.398	5.130	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc3sccc3c2)s1	581518292	VHGJXNFAQWMUFN-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
C[C@@H](Nc1cccc(SC(F)F)c1)c1ccsc1	690200536	VCWNLSCFPJWWRE-SECBINFHSA-N	285.384	5.236	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)c(C)o1	44729506	KJNDOQPPETXMAC-GHMZBOCLSA-N	295.785	5.101	0	20	CKAD	
C[C@H](Nc1ccc(CCC(F)(F)F)cc1)c1ccsc1	182335233	JISGUMADJGPAIE-NSHDSACASA-N	299.361	5.416	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](NCc2cc[nH]c2)C(C)C)cc1	236909065	HCPSCTMKOWLVID-KXBFYZLASA-N	284.447	5.015	0	20	CKAD	
CCSc1ccc([C@@H](C)NCc2cscc2C)cc1	494494229	LFUDXMBGAMUJRJ-CYBMUJFWSA-N	291.485	5.019	0	20	CKAD	
Cc1cccc(CS[C@@H](C)c2ccc(Cl)cc2)n1	584864013	FKDTWRPMWUDSBP-LBPRGKRZSA-N	277.820	5.038	0	20	CKAD	
CC[C@@H](C)Oc1cccc(N[C@@H](C)c2ccc(C)nc2C)c1	679011263	SKNAUMZAEHLYJM-ZBFHGGJFSA-N	298.430	5.049	0	20	CKAD	
CC(C)c1cnc(CS[C@H](C)c2ccc(Cl)cc2)o1	733208193	URTMFTUTRDILPD-LLVKDONJSA-N	295.835	5.446	0	20	CKAD	
CCC[C@@H](Nc1ccc(F)c(C2CC2)c1)c1cccnc1	467440044	PQJIOURJASPKLI-GOSISDBHSA-N	284.378	5.051	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2cccc(F)c2)C(C)(C)C)o1	484307373	YBJAWBOXWJSFJS-DYVFJYSZSA-N	289.394	5.165	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccsc2)cc1OC(C)C	494513718	UVBNSSNMZSGPCD-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
CC(C)c1ccc([C@@H](N[C@@H](C)c2ccccn2)C(C)C)cc1	500652176	OQWNUILBDNEQBL-JXFKEZNVSA-N	296.458	5.253	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H](C)C2CCCCC2)c(C)c1	508867757	DILISBWGJQYWRS-CQSZACIVSA-N	287.447	5.157	0	20	CKAD	
Cc1cnc([C@H](C)Nc2ccc(-c3ccccc3)c(C)c2)o1	547241879	AJFBTQWDUVGXJG-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccccc1F	630058178	GWKWMJYILWAUSF-VIFPVBQESA-N	299.723	5.590	0	20	CKAD	
C[C@@H](SCc1cccnc1Cl)c1ccc(F)c(F)c1	751603011	MWHGYWXAFGAHGX-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
CC(C)[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1	131326178	MCZDFMXPEZBIPQ-QGZVFWFLSA-N	289.369	5.111	0	20	CKAD	
C[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1Cl	131756461	TUUWNAQZELPCOZ-LLVKDONJSA-N	295.760	5.128	0	20	CKAD	
Cc1c([C@H](C)Nc2ccc(C(C)(C)C)cc2)cnn1C(C)C	468938431	LCANONPTWXGMDB-AWEZNQCLSA-N	299.462	5.243	0	20	CKAD	
CC[C@H](NCc1oc2ccccc2c1C)c1ccc(F)cc1	523390179	ZXGJECPQCWSYDC-KRWDZBQOSA-N	297.373	5.121	0	20	CKAD	
CSCc1cccc(N[C@H](C)c2cc(F)ccc2F)c1	540832167	IUNKYPDUBIMHDI-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC=CC[C@H]1C	560115924	FIDJKVUMYQZMSJ-CRAIPNDOSA-N	299.458	5.303	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@@H](CC(C)C)c2ccccc2C)c1	560525233	KAFXEIIHYAUYNR-PXNSSMCTSA-N	296.458	5.136	0	20	CKAD	
Cc1ncc(CS[C@H](C)c2ccccc2Cl)s1	604434628	WLAWAVQQVYZKAK-SECBINFHSA-N	283.849	5.099	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccnc(Cl)c2)cc1	776791448	IZHLEIBXIYMUEY-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1ccccc1Oc1ccccc1	920215293	DCCUWMQOVYIDDZ-CCEZHUSRSA-N	295.382	5.164	0	20	CKAD	
C[C@@H](NC(c1ccccc1)c1ccccc1)c1cccs1	20094685	CJLLIZBOTXUNES-OAHLLOKOSA-N	293.435	5.188	0	20	CKAD	
CC[C@@H](NCc1cccc(Cl)c1)c1cccc(Cl)c1	36921433	HAQUMVRRXGRGRQ-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
CC[C@@H](NCc1cccc2[nH]ccc12)c1cccc(Cl)c1	70938901	BJXNDEKNEDUCMI-QGZVFWFLSA-N	298.817	5.062	0	20	CKAD	
CC(C)c1ccccc1NC(=O)CC(C)(C)c1ccccc1	96651802	WIPHCZKXAIGGCA-UHFFFAOYSA-N	295.426	5.116	0	20	CKAD	
CC[C@H](N[C@H](CC(F)F)c1ccccc1)c1cccs1	421873186	HLXUEZOIIUQEII-UONOGXRCSA-N	295.398	5.185	0	20	CKAD	
CC(C)[C@H]1C[C@@H](N[C@@H](C)c2cccs2)c2ccccc21	447512002	WMJCTBIMUMZFMG-IAOVAPTHSA-N	285.456	5.283	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1ccc(OC(C)(C)C)cc1	462805334	DSICSEMSRRUMBS-CVEARBPZSA-N	297.442	5.276	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1ccc(Cl)cn1	480308807	HXKVFMHRXSNNAV-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
CCSc1ccccc1[C@@H](C)NCc1sccc1C	481409291	ULJAMAXSKJOAEK-CYBMUJFWSA-N	291.485	5.019	0	20	CKAD	
Cc1ccc([C@@H](N[C@H](C)c2sccc2C)C2CC2)cc1	532453746	LVABYNUBJRFAEF-RHSMWYFYSA-N	285.456	5.167	0	20	CKAD	
C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)C1CCCC1	674078849	PFLUTKRHLADEAV-OAHLLOKOSA-N	293.410	5.118	0	20	CKAD	
CCCCC[C@H](C(=O)N1[C@H]2CC[C@H]1c1ccccc12)C(C)C	755337646	KGPCAZIIANXVSV-SNRMKQJTSA-N	299.458	5.257	0	20	CKAD	
CCCCc1ccc(N[C@H](C)c2c(CC)noc2C)cc1	776792304	FTVYCSBNIGOUFP-CYBMUJFWSA-N	286.419	5.061	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1cncs1)c1cc(C)sc1C	903305030	GFZYMFOSUXRVHY-FZMZJTMJSA-N	294.489	5.013	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)C1CCCCC1	914734061	YQDSSWMTOFHURK-UHFFFAOYSA-N	293.410	5.181	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2csc(Cl)c2)c(C)s1	230407679	YTBNPIJSSLPJBP-NXEZZACHSA-N	299.892	5.492	0	20	CKAD	
CC(C)c1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1	315656665	ODHXWUVRBPVRKZ-OAHLLOKOSA-N	293.410	5.407	0	20	CKAD	
CC(C)C[C@@H](NCc1cc2ccccc2o1)c1ccccc1	315870485	NFRHFXZZEOYELO-LJQANCHMSA-N	293.410	5.310	0	20	CKAD	
CC[C@H](Nc1cccc(C2CCC2)c1)c1ccc(F)cn1	462940394	HVQLPGIZBZVULN-KRWDZBQOSA-N	284.378	5.051	0	20	CKAD	
CC[C@H](NCc1cscc1C)c1ccc(Cl)s1	494482189	DVJUBKYZNDGYIW-NSHDSACASA-N	285.865	5.012	0	20	CKAD	
CC(C)=CCC[C@H](C)N[C@@H](C)c1csc(C(C)C)n1	563291878	HXWQXWVYIGOHHC-KBPBESRZSA-N	280.481	5.052	0	20	CKAD	
CC[C@@H](NCc1cc2cc(C)ccc2o1)c1ccc(F)cc1	581280472	CLBYKGBOLVTKJA-GOSISDBHSA-N	297.373	5.121	0	20	CKAD	
C[C@@H](SCCC(F)(F)F)c1ccccc1Cl	604434630	YQPGNFAEEUQBMB-MRVPVSSYSA-N	268.731	5.087	0	20	CKAD	
CCC[C@@H](N[C@H](CCC)c1ccccn1)c1ccccc1	675815721	DPJXMEWRZVGVQN-IEBWSBKVSA-N	282.431	5.054	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)c1	775628549	SHECXLMGWPACGY-HOTGVXAUSA-N	292.426	5.197	0	20	CKAD	
Cc1cc(C)cc(NC(=O)Nc2ccccc2C(C)(C)C)c1	139393738	NAZXMBNSSPCNTB-UHFFFAOYSA-N	296.414	5.245	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cccc(Cl)c2)cs1	381462720	JIHCSQUBZWOYBP-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
CC[C@H](N[C@@H](CC(C)C)c1ccccc1)c1ccsc1	382197104	ZYOSYLDJXJCAIS-ROUUACIJSA-N	287.472	5.576	0	20	CKAD	
CC[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1ccsc1	421882333	RYPCXBDXRWYNAZ-CABCVRRESA-N	295.398	5.185	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)C2(CC)CC2)c(C)c1	427664306	RLWHDPDHEQMDCX-CYBMUJFWSA-N	291.460	5.014	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(Cl)c2ccccc12)c1ccco1	462846483	VOMIJIPDHIHHTA-CHWSQXEVSA-N	299.801	5.498	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2ccc(C3CCC3)cc2)s1	494474603	KPPQLQSGIHBLQW-LBPRGKRZSA-N	286.444	5.201	0	20	CKAD	
C[C@@H](Nc1cccc(Cl)c1)c1nccc2ccccc12	519484272	DMWWJDBJRKSLDU-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
C[C@H](Sc1ccnc2ccccc12)c1ccccc1F	521865454	XKTBPBFRHUWWFJ-LBPRGKRZSA-N	283.371	5.227	0	20	CKAD	
C[C@@H](Sc1cccs1)c1ccccc1Cl	604931084	DSPPYFORQFRXCA-SECBINFHSA-N	254.807	5.255	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(OC(C)C)cc2)s1	20472776	RUTHGMDOFXSLKG-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccc(F)cc1F)c1ccccc1	36967385	UHEWMQBIEWYGMZ-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1csc(Cl)c1	191796185	OFNYYQKZQMMEPS-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)c(C)o1	380279607	BNKRMYGDWXWFDQ-QWRGUYRKSA-N	295.785	5.101	0	20	CKAD	
Cc1ccoc1CN[C@H](c1ccc(C(C)C)cc1)C(C)C	462656672	AFJJOJZFOXRECE-IBGZPJMESA-N	285.431	5.198	0	20	CKAD	
Cc1ccc(-c2cnc(CSc3cccs3)o2)cc1	463269909	YUCQPDPQADYCSP-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1cc2c(s1)CCC2	532452136	SRLNTICDQVFYPC-YJYMSZOUSA-N	297.467	5.039	0	20	CKAD	
Cc1nc([C@@H](C)Nc2ccccc2C(C)(F)F)c(C)s1	648719492	OBLLCIUEMJLKMI-SECBINFHSA-N	296.386	5.045	0	20	CKAD	
CC[C@@](C)(NCc1csc2ccccc12)c1ccccc1	730817705	RYMSKPPJJFABOX-LJQANCHMSA-N	295.451	5.316	0	20	CKAD	
CC[C@@H](C)[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1	7609975	VVESPXIWZCYHJN-KUHUBIRLSA-N	295.426	5.072	0	20	CKAD	
COc1ccc(N[C@@H](C)c2ccccc2Cl)cc1Cl	20553430	KFYRZJXQKGJFKB-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccccc2)C(C)C)cs1	381703521	HJSWQCXDRQCPPP-PBHICJAKSA-N	273.445	5.104	0	20	CKAD	
Cc1cccc(SCc2ncc(-c3ccccc3F)o2)c1	525118098	NCMGBZXLEYUUDG-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
C[C@@H](NCc1ccsc1)c1ccc(-c2ccccc2)s1	543602779	QNFZEJVYNRDHBC-CYBMUJFWSA-N	299.464	5.327	0	20	CKAD	
CC[C@H](CC(F)(F)F)N[C@H](CC)c1ccc(Cl)s1	544830224	UXCJQNWCUOYAEY-RKDXNWHRSA-N	299.789	5.173	0	20	CKAD	
CC[C@H](S[C@@H](C)c1ccncc1)c1ccccc1	610708224	OLGRAQLBSJFNBD-BBRMVZONSA-N	257.402	5.027	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H](C)CC(C)(C)C)c(Cl)c1	612928381	JUCXAWWDNFKAPI-LBPRGKRZSA-N	295.854	5.358	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccccc1F)c1ccc(F)cc1	36968164	QIFXDULROAMUAI-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@@H](C)c1ccccc1F	37780618	IKEOZITWMTVQKQ-AWEZNQCLSA-N	287.378	5.094	0	20	CKAD	
CCC/C=C/C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1	64311316	KPASILYJBKBGOJ-BLMSOEDDSA-N	299.414	5.089	0	20	CKAD	
Cc1nnc([C@@H](C)S[C@@H](C)c2ccc3ccccc3c2)o1	125324923	SJTNONSYXHWRBN-NWDGAFQWSA-N	298.411	5.087	0	20	CKAD	
CCc1ccc([C@@H](C)NCc2ccc(C(F)F)cc2)cc1	131325347	NTDRVJYAUNWHOU-CYBMUJFWSA-N	289.369	5.037	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1oc(C)cc1C	191539715	NRZIGCYSWWSQGB-UHFFFAOYSA-N	299.414	5.225	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(F)c(Cl)c1	386359283	VYHGEWHZFSPSGU-SECBINFHSA-N	299.723	5.590	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H]2CC(C)(C)Cc3occc32)c1	498649524	QUTLLLYIYMNBIE-DYVFJYSZSA-N	299.414	5.113	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2cc3ccccc3s2)cs1	381170814	CEAJGSJBFYSDNL-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)cs1	381717991	JJSLUDNFJWQXLN-CABCVRRESA-N	295.451	5.622	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1cncc(C)c1)c1ccccc1	467751010	DIFHRCXIESNPJC-JXFKEZNVSA-N	296.458	5.218	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)C1CCC(F)(F)CC1	474052494	DUBWPFVAWCQHNF-XHDPSFHLSA-N	299.430	5.003	0	20	CKAD	
Cc1ccccc1[C@H](NCc1ccc(Cl)s1)C(C)C	482160286	SNJBZONRZUGKCG-MRXNPFEDSA-N	293.863	5.197	0	20	CKAD	
C(=C\c1nc2c(ccc3ccccc32)s1)\c1cncs1	486514396	BZYPHZLXJCRIGI-VURMDHGXSA-N	294.404	5.076	0	20	CKAD	
C[C@H](SCc1ncc(C(C)(C)C)o1)c1cccc(F)c1	500261167	JORJFFJHRQVUGL-NSHDSACASA-N	293.407	5.106	0	20	CKAD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)CC(C)C	500758353	KIEYXEXXNDIAFA-UHFFFAOYSA-N	299.439	5.131	0	20	CKAD	
Cc1ccc2oc(CN[C@@H]3C[C@H](C)c4ccccc43)cc2c1	577545738	CTQCVTAGVWJUDN-IFXJQAMLSA-N	291.394	5.079	0	20	CKAD	
CC(C)c1ccc([C@@H](NCc2cccc(O)c2)C(C)C)cc1	620879234	YPYUXPHBXQHQDE-FQEVSTJZSA-N	297.442	5.003	0	20	CKAD	
CC(C)c1cnc(CS[C@@H](C)c2c(F)cccc2F)o1	733208125	RJHOVSGFXAZQGV-JTQLQIEISA-N	297.370	5.071	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2cc3ccccc3[nH]2)c1	775628553	SHECXLMGWPACGY-JKSUJKDBSA-N	292.426	5.197	0	20	CKAD	
CC(C)c1ccccc1CN[C@@H](c1cccs1)C1CC1	783316540	OYVRARVAVXULAK-GOSISDBHSA-N	285.456	5.112	0	20	CKAD	
Cc1nc([C@@H](C)Nc2ccc3ccccc3c2)c(C)s1	36951852	ONOZNNJVPDTGPK-LLVKDONJSA-N	282.412	5.086	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(C)s2)c(C)c1	37772119	AYNWDQQTIZIMBC-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccc1Cl)c1ccsc1	382190882	YYCSMZLOFKMACS-ABAIWWIYSA-N	279.836	5.203	0	20	CKAD	
C[C@H](c1cc2ccccc2o1)N(C)CCCCC(F)(F)F	443673911	LAXLNMCSCFCHSL-GFCCVEGCSA-N	299.336	5.158	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CCCC[C@@H]1C	518876619	OVQFOKJNDPVMLX-GOEBONIOSA-N	287.447	5.273	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1F)C1CCCC1)c1ccoc1	532247063	KDNWYIKSVVHGST-SCLBCKFNSA-N	287.378	5.001	0	20	CKAD	
Cc1csc(-c2ccc(N[C@H](C)c3ccc(C)o3)cc2)n1	539733360	AUCNYZSJWUEHPI-CYBMUJFWSA-N	298.411	5.193	0	20	CKAD	
C[C@@H](N[C@@H]1CCc2c(F)cccc21)c1cccc(C2CC2)c1	559743466	QPQGKZNWIOKTBI-ZUOKHONESA-N	295.401	5.041	0	20	CKAD	
C/C=C\c1ccc(N[C@H](C)c2cnn(C(C)(C)C)c2C)cc1	562056798	LBJVAPNPGWEKKR-WBTMPAOCSA-N	297.446	5.153	0	20	CKAD	
Clc1cccc(Cl)c1-c1noc(C2CCCCC2)n1	598528153	LWPJUDSBHYNZFD-UHFFFAOYSA-N	297.185	5.091	0	20	CKAD	
CC(C)c1cnc(SCc2cccc(F)c2)n1C(C)C	606756326	LGQHYXGXUILCPS-UHFFFAOYSA-N	292.423	5.019	0	20	CKAD	
CC(C)C(C)(C)S[C@H](C)c1nnc(-c2cccs2)o1	762988209	GBXWVHQPVVLRCQ-SNVBAGLBSA-N	296.461	5.027	0	20	CKAD	
CC(C)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1	34992431	DSHKROALSQRCQU-GOSISDBHSA-N	297.467	5.137	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](c2ccccc2)c2ccco2)c1	124797137	LTFGBXCARMZSET-UZLBHIALSA-N	291.394	5.028	0	20	CKAD	
CC[C@@H](Nc1cccc([C@H](C)OC)c1)c1cccs1	183093805	GNODZGOLYWGYJV-SWLSCSKDSA-N	275.417	5.019	0	20	CKAD	
Cc1ccc(C)c(NC(=O)Nc2ccc(C(C)C)cc2)c1	244204709	VQTAARSBVVEOTA-UHFFFAOYSA-N	282.387	5.071	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H]2CCc3ccccc32)oc2ccccc12	315096523	BOTXIZLNMBYXMF-RDTXWAMCSA-N	291.394	5.079	0	20	CKAD	
Cc1cc(Cl)cc(CNc2cccc(C(F)F)c2)c1	395242306	WGQHSVPTIAQLJA-UHFFFAOYSA-N	281.733	5.198	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](c1ccccc1)C1CCC1	482441673	ULYAEOUBCDMNQM-WMLDXEAASA-N	285.456	5.249	0	20	CKAD	
C[C@H](NC1(c2cccc(F)c2)CC1)c1cccc(C2CC2)c1	556149429	MGALHMFDKODKIJ-AWEZNQCLSA-N	295.401	5.043	0	20	CKAD	
CC(C)(NCc1cc2ccccc2o1)c1cccc(Cl)c1	563304202	AUSBRMNOLYDSBD-UHFFFAOYSA-N	299.801	5.111	0	20	CKAD	
C[C@H](Nc1cccc2c1ccn2C)c1ccc(Cl)cc1	588909317	LAPKZNYEPXJRRV-LBPRGKRZSA-N	284.790	5.005	0	20	CKAD	
C[C@H](SCCC(F)(F)F)c1ccccc1Cl	604434631	YQPGNFAEEUQBMB-QMMMGPOBSA-N	268.731	5.087	0	20	CKAD	
CCCCCC[C@H](C)NC(=O)Nc1c(C)cccc1CC	915302976	JXCAIEBHFBUXMI-HNNXBMFYSA-N	290.451	5.038	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2cccc(F)c2)c(C(C)C)c1	27139061	ZNHAIVJQAMHHEL-UHFFFAOYSA-N	299.389	5.325	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)cc1	37770737	NMJNOQJMWOTPJD-CHWSQXEVSA-N	291.797	5.199	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1ccccc1Cl	163218161	WFBWTIQUOJIOKQ-QWRGUYRKSA-N	293.760	5.112	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C1CC1)c1cccc(F)c1	166491777	ZCUITDRVGKOOHL-RTBURBONSA-N	283.390	5.018	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(F)cc1F	171119469	AOWKAAQVFLDHDU-SECBINFHSA-N	283.268	5.076	0	20	CKAD	
CC[C@@H](NCc1ccccc1C(F)(F)F)c1ccsc1	382100321	IYHRDZKWAZXSAC-CQSZACIVSA-N	299.361	5.008	0	20	CKAD	
FC(F)c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	386194901	CRFCJCFVXDHWFC-ZYHUDNBSSA-N	293.279	5.157	0	20	CKAD	
Cc1cc(NCc2cnc(C(C)C)s2)ccc1C1CC1	479429650	WOFGGTNJSPMBKU-UHFFFAOYSA-N	286.444	5.064	0	20	CKAD	
C[C@H](Sc1ccccc1)c1ncc(-c2ccccc2)o1	525434340	UQGFIOJAJJEENW-ZDUSSCGKSA-N	281.380	5.195	0	20	CKAD	
CC[C@H](S[C@H](C)c1ncc(C)o1)c1ccc(Cl)cc1	537747948	GCGVUERVVCQOFV-RISCZKNCSA-N	295.835	5.582	0	20	CKAD	
C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cccc2ccccc12	539066653	UFHFIDOUOKXLIG-HIFRSBDPSA-N	289.369	5.068	0	20	CKAD	
Fc1ccc(CNc2cccc3cc[nH]c23)c2ccccc12	630066008	ISIVVIQFQJPKQJ-UHFFFAOYSA-N	290.341	5.072	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1cccc(Cl)c1	20559753	FCWZCRJWDJNFAI-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
Cc1nc([C@@H](C)Nc2cccc(C(C)C)c2)c(C)s1	20562866	WFQFSBQGTAYVHI-LLVKDONJSA-N	274.433	5.056	0	20	CKAD	
CC(C)c1ccc(CNCc2ccc(C(F)F)cc2)cc1	131380587	YMIQJVNCQBBQIC-UHFFFAOYSA-N	289.369	5.037	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)cs1	381462730	JIHCSQUBZWOYBP-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
Cc1nc(C)c(CS[C@H](C)c2cc(F)ccc2F)s1	437270304	DDNNCJNKHAAHRU-SECBINFHSA-N	299.411	5.033	0	20	CKAD	
CC(C)C[C@H](NCc1ccsc1Cl)c1cccs1	480662018	LIKZHXLSTGDGCD-LBPRGKRZSA-N	299.892	5.340	0	20	CKAD	
Cc1nc2c(s1)[C@H](Nc1ccc(C3CCC3)cc1)CCC2	494495170	RMLZSEBVWZHIOH-QGZVFWFLSA-N	298.455	5.209	0	20	CKAD	
C[C@H](Sc1cc(Cl)ccc1Cl)c1cccnc1	618427103	PTAQXOICOHRZTP-VIFPVBQESA-N	284.211	5.242	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc3c(s2)CCC3)s1	765305796	QOAAWUNDSGIKOY-NWDGAFQWSA-N	291.485	5.019	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)o1	37280493	OFJUSRYWPVWPDM-UONOGXRCSA-N	283.371	5.054	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)C)cc1)c1cccs1	44350644	ZXHSTNLXAUQAEN-MRXNPFEDSA-N	273.445	5.112	0	20	CKAD	
CC[C@H](NCc1csc2ccccc12)c1cccs1	48417131	PPICAZGWYVIEJV-AWEZNQCLSA-N	287.453	5.204	0	20	CKAD	
C[C@@H](Nc1ccc2ncsc2c1)c1cccc(Cl)c1	226367336	HACAEJPJDOQFNU-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(OC(C)C)cc1)c1ccccc1	387353710	YVFRRTRNJHFZNK-OXJNMPFZSA-N	297.442	5.276	0	20	CKAD	
CC(C)C[C@@H](C)C(=O)Nc1ccccc1-c1cccs1	462427837	KPVQUNOGVCBLBL-CYBMUJFWSA-N	287.428	5.036	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H](C)CCC(F)(F)F)oc2ccccc12	477854509	BLQZVUKNILIJDE-CMPLNLGQSA-N	299.336	5.123	0	20	CKAD	
Cc1cccc(CN[C@@H](C)c2ccc(SC(C)C)cc2)c1	504032656	KBJZKACLGNBRKG-INIZCTEOSA-N	299.483	5.346	0	20	CKAD	
CC(C)(C)CCCC(=O)N(Cc1ccco1)c1ccccc1	504383115	ZKVCVRFCARUNPZ-UHFFFAOYSA-N	299.414	5.029	0	20	CKAD	
CC[C@H](CC1CCCC1)C(=O)Nc1cccc(C(F)F)c1	510854823	WOQWEVFSSDXWGR-CYBMUJFWSA-N	295.373	5.169	0	20	CKAD	
CC(C)(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1	521280683	BUPRTMUAJVKHBE-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
Cc1ccc(-c2ccncc2)cc1N[C@@H](C)c1ccccc1	523206343	ZWDPEYAYRMHNAW-INIZCTEOSA-N	288.394	5.230	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](CC2CC2)c2ccccc2)oc1C	669702537	ONNIWDIXKPNLLX-KSSFIOAISA-N	283.415	5.088	0	20	CKAD	
Nc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl	39247766	IYYQILCMAMITMH-UHFFFAOYSA-N	288.561	5.021	0	20	CKAD	
CC1=Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2C1	81191681	DACQNKOLKHWJKV-UHFFFAOYSA-N	274.285	5.332	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2cccc3ccncc23)s1	131446847	SLAXDTZPHJOKJV-GFCCVEGCSA-N	282.412	5.032	0	20	CKAD	
CC[C@H](N[C@@H]1CCCc2occc21)c1ccc(Cl)s1	480766224	CERHNRZDDVYMMB-NWDGAFQWSA-N	295.835	5.113	0	20	CKAD	
C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(C2CC2)c1	550700797	NXYDQYLSOSPLQZ-ZUOKHONESA-N	295.401	5.041	0	20	CKAD	
CC[C@@H](C)CCCCC(=O)N1CCC[C@@H]1c1cccs1	680019201	YPSPEUSIGIPSTM-HUUCEWRRSA-N	293.476	5.018	0	20	CKAD	
O=C(Nc1ccccc1-c1ccccc1)C(F)=C1CCCC1	763001982	MTBHEAQTEGYBIX-UHFFFAOYSA-N	295.357	5.090	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccs1)c1ccc(Cl)cc1	21810764	BJCNDFSCBOMRHX-SMDDNHRTSA-N	279.836	5.203	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1ccc(Cl)cc1	42328787	PLCBVRJXRLWSSV-MEDUHNTESA-N	291.847	5.203	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(C(F)F)cc2)c(C)c1	131363710	LFMJXEVBJLUQAX-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1ccc(Cl)nc1	182499611	SUMNBSZLFNRFOO-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)(F)F)s1)c1ccccc1	428862306	TYSQLPNDMUOFOF-CYBMUJFWSA-N	299.361	5.008	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCN2C(=O)CCC2CCC2)cc1	534111443	NYXQDOZLKTXWQR-IBGZPJMESA-N	299.458	5.054	0	20	CKAD	
CCc1ccc([C@@H](C)Nc2cccc(CC(F)(F)F)c2)o1	538639300	GPCMOEGJZIOMMC-LLVKDONJSA-N	297.320	5.120	0	20	CKAD	
CC[C@H](Nc1cccc(SC(F)F)c1)c1ccccc1	690206195	BHQSKCOIJUZBOC-HNNXBMFYSA-N	293.382	5.565	0	20	CKAD	
COc1ccccc1N[C@@H](C)c1ccc(Cl)c(Cl)c1	20564273	NGDYYOQQOVYXRV-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
N#C/C(=C/c1ccc(Cl)s1)c1ccc2ccccc2n1	53108110	CMEJCTVHMGIWIC-XFXZXTDPSA-N	296.782	5.014	0	20	CKAD	
CCCCc1oc2ccccc2c1CNCc1ccsc1	62103888	QCBUHNAQOPXDAL-UHFFFAOYSA-N	299.439	5.127	0	20	CKAD	
CC[C@@H](NCc1ccc(C)c(F)c1)c1cccc(Cl)c1	110975168	HWGHAZTXPXAPPO-QGZVFWFLSA-N	291.797	5.028	0	20	CKAD	
Cc1occc1CN[C@H](C)c1ccc(-c2ccccc2)s1	680461402	ZWXUYWFJWYWPFO-CYBMUJFWSA-N	297.423	5.167	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccnc1)c1cccc2ccccc12	886790456	DBFUJYJAZZTPLR-MGPUTAFESA-N	290.410	5.037	0	20	CKAD	
O=C(C=C1CCCC1)Nc1ccc2oc3ccccc3c2c1	917527164	XGCRWXDGODTJGY-UHFFFAOYSA-N	291.350	5.025	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C=C1CCCCC1	919971274	BGITWKCMIVHEOM-UHFFFAOYSA-N	299.458	5.762	0	20	CKAD	
Cc1sc(-c2ccsc2)nc1-c1cc(F)ccc1F	303330501	SWNSPFGWHIYFCD-UHFFFAOYSA-N	293.363	5.125	0	20	CKAD	
CC(C)(NCc1ccc(Cl)c(Cl)c1)c1ccccc1	311662457	XGQXUXDBUBKHGA-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
COc1ccc2cc([C@H](C)Nc3ccc(C)cc3)ccc2c1	314058154	QIWKTIOWPCJINJ-HNNXBMFYSA-N	291.394	5.330	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccc(F)cc1	314412765	WHYGJOMGSKSKBW-HUUCEWRRSA-N	293.385	5.391	0	20	CKAD	
CC(C)c1cnc(CNc2cccc(C3CCC3)c2)s1	462873941	YZUWAFPQWWEPFU-UHFFFAOYSA-N	286.444	5.146	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1csc(Cl)c1	468930827	LBTZVQUSLKGZRX-XHDPSFHLSA-N	291.847	5.048	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H](C)c2cccc3ccccc23)o1	539950394	FTRVUYRQHYYDFU-KGLIPLIRSA-N	297.423	5.692	0	20	CKAD	
FC(F)c1cccc(CSCc2ccc(Cl)cn2)c1	564785358	BFAIUQHZBDHFIW-UHFFFAOYSA-N	299.773	5.106	0	20	CKAD	
CC(C)c1ccc(NC(=S)NC(C)(C)C)c(C(C)C)c1	54927242	KJJSYZXCINILDL-UHFFFAOYSA-N	292.492	5.018	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2cccnc2Cl)c1	179879799	CBWBDZSYUQLICT-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
Cc1nc2c(s1)[C@H](Nc1cccc(C(C)C)c1)CCC2	537407373	ORADDGYHKYIUIH-MRXNPFEDSA-N	286.444	5.064	0	20	CKAD	
CC(C)(CC(=O)Nc1ccccc1-c1ccccc1)C1CC1	578526464	BAQRPZOXYLZLBA-UHFFFAOYSA-N	293.410	5.118	0	20	CKAD	
Cc1cc(N[C@H](C)c2ccccc2F)ccc1OC(C)C	743480073	NQAVPMQLWFIOLY-CQSZACIVSA-N	287.378	5.094	0	20	CKAD	
CC(=C\c1ccccc1)/C=C(/Cl)c1nc2ccccc2o1	750901328	DSECBMGOHLVZEI-CEHLPYKYSA-N	295.769	5.511	0	20	CKAD	
Clc1ccc2c(-c3cccc4cnccc34)ccnc2c1	793366731	FPBOHWMJZUOBHA-UHFFFAOYSA-N	290.753	5.103	0	20	CKAD	
CCCc1ccccc1NC(=S)Nc1cccc(CC)c1	914774142	DULKNIMYMKHJIQ-UHFFFAOYSA-N	298.455	5.010	0	20	CKAD	
Cc1c([C@H](C)N[C@H](C)c2cccs2)oc2ccccc12	37235080	DFDKEUGSPRUGKR-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
Clc1ccccc1-c1ccc(CNc2ccccc2)o1	40537905	PVSRHEXIIRRGSZ-UHFFFAOYSA-N	283.758	5.212	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](c2ccccc2)c2ccco2)c1	124797849	LTFGBXCARMZSET-OXJNMPFZSA-N	291.394	5.028	0	20	CKAD	
CCCCCC(=O)Nc1cccc(CSC(C)C)c1C	303962597	CEMATUHOUYJMRH-UHFFFAOYSA-N	293.476	5.155	0	20	CKAD	
CC(C)c1nc2cc(N[C@@H](C)c3cccc(F)c3)ccc2o1	315749984	HPVYPMXMXGLOTO-LBPRGKRZSA-N	298.361	5.263	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(C2CC2)cc1)c1cccs1	417355898	OOXJSXDXXANUFK-OLZOCXBDSA-N	271.429	5.037	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccccc2C)C2CC2)c(C)o1	447534714	ZKEUXMJZMGDYHF-KUHUBIRLSA-N	283.415	5.007	0	20	CKAD	
C[C@H](SCc1ccncc1)c1ccc(Cl)c(Cl)c1	463207014	YKHPHCPWQAOSKJ-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)CC2CCC2)c(C)c1	463623774	NKQRTSMUOKIGDJ-CYBMUJFWSA-N	291.460	5.014	0	20	CKAD	
C/C=C\c1ccc(NC(=O)Nc2ccsc2Cl)cc1	482334771	MUPJULKHAMUSTI-IHWYPQMZSA-N	292.791	5.079	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1	527848479	RDBVNDTWTQYZAA-HRCADAONSA-N	282.431	5.007	0	20	CKAD	
CCc1ccc([C@H](C)Nc2ccc3nc(C4CC4)oc3c2)o1	539649635	CXRUROBWFYLFAQ-NSHDSACASA-N	296.370	5.034	0	20	CKAD	
Cc1nc([C@@H](C)Nc2csc3ccccc23)c(C)s1	679362322	JYOFLKFDMZIKDM-SECBINFHSA-N	288.441	5.148	0	20	CKAD	
C/C=C\C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	752472293	CNOQUUSLOAXNLJ-UMSKNGNOSA-N	297.423	5.055	0	20	CKAD	
CC(C)c1cc(C2CCCCC2)cc(Br)n1	1857791415	DVZJUYAFOSICPY-UHFFFAOYSA-N	282.225	5.015	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1F	36951953	MEBDJZYWACLPKR-LBPRGKRZSA-N	283.321	5.291	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@H]2CCSc3ccccc32)c1	37103414	WHDPOWSVBJLLBT-QAPCUYQASA-N	297.467	5.191	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1Cl	225011622	JIGUCULWTDHXBA-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CCSCc1cccc(N[C@@H](C)c2ccc(F)cc2)c1	439601290	KTUVGBXJFAPPKP-ZDUSSCGKSA-N	289.419	5.252	0	20	CKAD	
Cc1coc(C)c1C(=O)Nc1ccc(C(C)C)cc1C(C)C	559518297	ZPPLHVKJASNZBM-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)C(C)(F)F	574817477	NDCVQCJZWBNCIN-LBPRGKRZSA-N	297.389	5.163	0	20	CKAD	
c1ccc2c(CNc3nccc4sccc34)csc2c1	613520591	TYLWDZLFHCBUCM-UHFFFAOYSA-N	296.420	5.123	0	20	CKAD	
CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1cccs1	742482313	HEUDNIBWSTXVFY-LSDHHAIUSA-N	293.476	5.018	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cscn1)c1cccc2ccccc12	886790645	IZFYHBBGIGLGKC-SUMWQHHRSA-N	296.439	5.098	0	20	CKAD	
Cl/C(=C\c1ccsc1)c1nc2ccccc2s1	7907727	RWJOKYYYQFRDGA-YFHOEESVSA-N	277.801	5.095	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(SC(F)F)cc2)o1	36919576	IGTOCMXTIWKKKM-SNVBAGLBSA-N	283.343	5.076	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1	36967377	JIHLWHCBGNNJLK-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
C/C(=C\C(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC1	193653340	KIGVNHRBUZCAOK-SDNWHVSQSA-N	285.431	5.228	0	20	CKAD	
CCCc1ccccc1NC(=O)[C@@H](c1ccccc1)C(C)C	443879330	SAYWVKZTCKCBIE-LJQANCHMSA-N	295.426	5.017	0	20	CKAD	
COc1ccc2cc([C@H](C)Sc3ccncc3)ccc2c1	448101386	NRBUNYJUMHTWAN-ZDUSSCGKSA-N	295.407	5.097	0	20	CKAD	
Cc1ccccc1NC(=O)Nc1ccccc1CCC(C)C	522223314	XUPBOKVBYRJKGR-UHFFFAOYSA-N	296.414	5.228	0	20	CKAD	
Cc1cccc([C@H](N[C@@H](C)c2cnccc2C)C(C)(C)C)c1	536774301	WGZIHUBRQSSDEI-LPHOPBHVSA-N	296.458	5.136	0	20	CKAD	
CC(C)c1ccc(NCc2coc(C3CC3)n2)c(C(C)C)c1	770527956	HBHXFPALDKVTSN-UHFFFAOYSA-N	298.430	5.411	0	20	CKAD	
CCCCCC[C@H](C)NC(=O)Nc1c(C)cc(C)cc1C	915301653	METXUSSEKHVKMW-INIZCTEOSA-N	290.451	5.092	0	20	CKAD	
CSc1cccc(NCc2cccc3ccccc23)c1	20557039	WVLLZDMXLLYMOG-UHFFFAOYSA-N	279.408	5.174	0	20	CKAD	
c1ccc(-c2ccc(NCc3ccsc3)cc2)cc1	37056968	WHDOZKWOUWBSNE-UHFFFAOYSA-N	265.381	5.027	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)(C)C)cc1)c1cccs1	48416913	GCPJUJANJCJQCO-INIZCTEOSA-N	287.472	5.287	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1ccsc1	50342753	VYBFGMZWKQRZOE-DOMZBBRYSA-N	289.444	5.014	0	20	CKAD	
Cc1csc([C@H](C)N[C@H](C)c2ccc3ccccc3c2)n1	80274389	UHDOXGRDKFVMEV-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CCC[C@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C	109704442	NAHSWQIPJMHLGD-HNNXBMFYSA-N	289.463	5.698	0	20	CKAD	
FC(F)Oc1cccc(NCc2cccc3ccccc23)c1	195613963	XZKUYVXVJCSUHZ-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
CC[C@H](Nc1ccc(SC(F)F)cc1)c1ccsc1	394433992	MBJJJOAMPIAIJA-ZDUSSCGKSA-N	299.411	5.626	0	20	CKAD	
C[C@H](Nc1ccc(C2CCC2)cc1)c1ccc(Cl)cn1	494491101	ZRYOWRTYHIAXMZ-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
Cc1ncc(CSc2ccc(Cl)c(Cl)c2)s1	499311599	UBNYLWWRXWONEZ-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1cc(C)c(C)o1)C1CC1	502708847	LYIYNKMBSPNZGL-AUUYWEPGSA-N	283.415	5.007	0	20	CKAD	
CCC[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccsc1	527487554	BEBHHLSUTFYICS-IRXDYDNUSA-N	289.419	5.006	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)c1C	538501826	HDQCDZZVHKSTCP-JKSUJKDBSA-N	293.410	5.461	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2csc3ccccc23)o1	776724150	YSMNFZKWRFZPPJ-CHWSQXEVSA-N	299.439	5.469	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C(C)C)s1	36967525	AQQOTHRVOGYMTG-PBHICJAKSA-N	273.445	5.104	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccc(F)cc2)C(C)(C)C)o1	37119193	CRINIJOAACRLEC-SUMWQHHRSA-N	289.394	5.165	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2ccco2)s1	41640195	KTROWGKVGHESGF-KDOFPFPSSA-N	297.423	5.090	0	20	CKAD	
CCC[C@@H](NCc1ccccc1Cl)c1ccsc1	443090091	VPYKGHXIKIOPBA-OAHLLOKOSA-N	279.836	5.033	0	20	CKAD	
CCCC(CCC)[S@](=O)[C@@H]1CCc2c(Cl)cccc21	443400229	VCTHHQJLRATRSW-APWZRJJASA-N	298.879	5.045	0	20	CKAD	
CC[C@@H](Nc1ccc(SC)cc1OC)c1cccs1	447558837	QFFHWGTZTQQPRB-GFCCVEGCSA-N	293.457	5.042	0	20	CKAD	
CC(C)c1nc([C@@H](C)Nc2ccc(F)c(Cl)c2)cs1	469787999	SKPPRGOQSQONTK-SECBINFHSA-N	298.814	5.232	0	20	CKAD	
CC(=O)CCCCSC(c1ccccc1)c1ccccc1	475748336	KYKPGELDMRWNGL-UHFFFAOYSA-N	298.451	5.269	0	20	CKAD	
CCC(CC)S[C@H](C)c1ncc(-c2ccccc2)o1	525434337	UKLFWWTVEVWVEJ-GFCCVEGCSA-N	275.417	5.324	0	20	CKAD	
CCCCN(C(=O)/C=C(/C)C1CC1)[C@@H](CC)c1ccccc1	734102641	ILQNXVSZWZDKIN-BDEQVGPYSA-N	299.458	5.123	0	20	CKAD	
Cc1nc([C@@H](C)Nc2ccc(C(C)C)cc2)c(C)s1	19995032	XUUZKJFNXZJTQU-LLVKDONJSA-N	274.433	5.056	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C	70090610	PDYNINSHRNGLDJ-BBRMVZONSA-N	291.435	5.244	0	20	CKAD	
CC(C)c1ccccc1NC(=O)C[C@@H](C)c1ccc(F)cc1	96651814	NVSBPQFBNCRKPC-CQSZACIVSA-N	299.389	5.081	0	20	CKAD	
CC[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccccc1	129639366	JSOBKVTWUBQGIW-UONOGXRCSA-N	291.847	5.130	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](CC(F)F)c1ccccc1	421885325	USBUJPBINIMGRX-GXTWGEPZSA-N	295.398	5.104	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@]1(C)CC	472670046	PXWJBLUHFRXQDB-LPHOPBHVSA-N	287.447	5.137	0	20	CKAD	
C[C@H](Nc1csc2ccccc12)c1ccsc1	495414144	GXLZRAVROCWSHG-JTQLQIEISA-N	259.399	5.136	0	20	CKAD	
CCCCCC(=O)N1CCC[C@H]1c1cccc2ccccc12	500584927	GYGFWELUCPWNNH-IBGZPJMESA-N	295.426	5.084	0	20	CKAD	
CC(C)c1ccc([C@H](N[C@H](C)c2ccncc2)C(C)C)cc1	507647426	ASCUJZHPSDOKFB-OXQOHEQNSA-N	296.458	5.253	0	20	CKAD	
CCc1ccc([C@@H](CC)N[C@H](C)c2ccncc2CC)cc1	537013087	QJIYRNJGLNETLV-FOIQADDNSA-N	296.458	5.008	0	20	CKAD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1ccc(F)cn1	538641511	YXHMIMCIMXKRIA-LBPRGKRZSA-N	298.386	5.122	0	20	CKAD	
C/C(=C/c1ccccc1)CNc1cccc(COC(C)C)c1	584549161	IWUQVLSHPQPADF-ATVHPVEESA-N	295.426	5.127	0	20	CKAD	
CC[C@H](NCc1ccc(OC(C)(C)C)cc1)c1ccccc1	602583091	JZKOTWBBBXCYSW-IBGZPJMESA-N	297.442	5.105	0	20	CKAD	
c1ccc([C@H](NCc2ccc3ccccc3c2)C2CC2)cc1	315420830	INIMWNWMJMWPRQ-NRFANRHFSA-N	287.406	5.081	0	20	CKAD	
CC[C@H](N[C@@H](C)c1csc(C)c1)c1ccc(C)cc1	394445529	FENGUTUIHTXJJL-YOEHRIQHSA-N	273.445	5.167	0	20	CKAD	
C[C@@H](c1ccc(Cl)cc1)N1[C@H]2CC[C@H]1c1ccccc12	606933933	ZTHGFODCWSDQJC-IGNZVWTISA-N	283.802	5.293	0	20	CKAD	
Cc1cc(N[C@@H](C)c2ccc(C(F)F)nc2)ccc1Cl	658046606	FTRUACQGCLHUFE-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1	21506937	KELILWIRHTYAHP-LBPRGKRZSA-N	279.305	5.187	0	20	CKAD	
Cc1cc(C)cc(N[C@H](C)c2ccc(OC(F)F)cc2)c1	21516683	GQGKNTXXYNHFRM-CYBMUJFWSA-N	291.341	5.078	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)o1)c1ccc(Cl)cc1	36960355	JCVVHRFLRBOURK-IUODEOHRSA-N	277.795	5.043	0	20	CKAD	
Cc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1Cl	39200780	RVIWLWCMYGFPOX-UHFFFAOYSA-N	299.801	5.754	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)c(C)o1	44729504	KJNDOQPPETXMAC-WDEREUQCSA-N	295.785	5.101	0	20	CKAD	
CCCCCSc1nnc(-c2cccc3ccccc23)o1	303950305	YZQGWMLSVSMYHF-UHFFFAOYSA-N	298.411	5.172	0	20	CKAD	
CC[C@H](N[C@@H](C)c1csc(C)c1)c1ccc(Cl)cc1	381374189	NKZFQIGPRUZTQD-LRDDRELGSA-N	293.863	5.512	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)cs1	381749552	NGEXMFQFGUJXBE-NSHDSACASA-N	298.411	5.248	0	20	CKAD	
CC(C)CCn1cccc1CNc1cccc(C(F)F)c1	532726931	DJTXOCMHZWIVFO-UHFFFAOYSA-N	292.373	5.084	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2sc(C(C)C)nc2C)cc1	539609970	VPGPUGOWDYWHCD-LBPRGKRZSA-N	274.433	5.056	0	20	CKAD	
CC[C@@H](NCc1ccc(C(C)C)nc1C)c1ccc(C)cc1	573390123	AMZWBVXLHDCNAE-LJQANCHMSA-N	296.458	5.063	0	20	CKAD	
c1ccc(-c2ccsc2-c2nc(C3CCCC3)no2)cc1	904353662	PSVUYNISBPRIRP-UHFFFAOYSA-N	296.395	5.123	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1cccs1	20148280	BFNUDWXPQWCMOB-QWRGUYRKSA-N	299.361	5.179	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccs1)c1cccc(Cl)c1	21061367	PLCAOEICKPWVGN-RISCZKNCSA-N	279.836	5.203	0	20	CKAD	
Cc1cc(C)c(CNc2cccc(C(F)F)c2)c(C)c1	386261076	VOHPAWHXCPUULU-UHFFFAOYSA-N	275.342	5.162	0	20	CKAD	
CCCOc1cccc(CN[C@@H](CC)c2ccc(C)cc2)c1	387026828	LQSJBMFGGULAKI-FQEVSTJZSA-N	297.442	5.025	0	20	CKAD	
Cc1nc(CSc2ccc3ccccc3c2)sc1C	461547115	WRNGQPZGFRWGCI-UHFFFAOYSA-N	285.437	5.205	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc(-c3nccs3)c2)oc1C	502464281	SHHOKDANYVBDLQ-LBPRGKRZSA-N	298.411	5.193	0	20	CKAD	
Cc1cccc(-c2cccc(CNCc3cccs3)c2)c1	588687670	PEBQMIWSXMJOCJ-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CSc1cc(C)ccc1N[C@@H](C)c1ccccc1F	630062061	OASSBCAFQJLAOF-LBPRGKRZSA-N	275.392	5.029	0	20	CKAD	
CCC/C=C/C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	729351401	RPKJMYJIQKMZSQ-VFNNOXKTSA-N	291.460	5.180	0	20	CKAD	
C[C@H](Nc1ccc(Cl)cn1)c1csc2ccccc12	742429446	BXELIMSRDAQORB-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1cccs1	765833235	MAQBIQQJPKEICJ-VXGBXAGGSA-N	287.453	5.375	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](c2ccc(C)cc2)C2CC2)c1	538634374	SCDDTGZBLJHWJQ-FOIQADDNSA-N	295.426	5.266	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](c2ccc(C)o2)C2CCC2)c1	541768022	BRWSNBIOWANYNJ-AUUYWEPGSA-N	299.414	5.249	0	20	CKAD	
FC(F)c1cccc(NCc2ccc(Cl)o2)c1Cl	541781493	CEEGZZPKPDDTIY-UHFFFAOYSA-N	292.112	5.136	0	20	CKAD	
CCC[C@H](Nc1cccc(C(C)C)c1)c1cccnc1	543636884	RBNJLNMUJCMVRW-SFHVURJKSA-N	268.404	5.158	0	20	CKAD	
C[C@@H](NCCC(F)(F)F)c1ccc(-c2ccccc2)s1	544577611	LUGQYIOQZWYECW-LLVKDONJSA-N	299.361	5.018	0	20	CKAD	
Cc1cc(C)c(NC(=O)CCCC(C)(C)C)c(Cl)c1	590883760	NDOPVFYVOJPLTR-UHFFFAOYSA-N	281.827	5.112	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCN2C(=O)CCCC2CC2)cc1	643236859	CTYAHXURBAXGDV-IBGZPJMESA-N	299.458	5.054	0	20	CKAD	
CCSc1ccccc1[C@@H](C)N[C@@H](C)c1ccsc1	669851040	SQGKUFUIHFKUBX-QWHCGFSZSA-N	291.485	5.272	0	20	CKAD	
C[C@@H](NCc1ccc(-c2ccccc2)s1)c1ccccc1	34994323	WHHUHSZFFVQBKS-OAHLLOKOSA-N	293.435	5.266	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C	70090609	PDYNINSHRNGLDJ-CJNGLKHVSA-N	291.435	5.244	0	20	CKAD	
CC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1cccs1	479493691	AHTMIZMYMVNSMP-HOTGVXAUSA-N	289.419	5.006	0	20	CKAD	
CCc1cccnc1[C@H](C)N[C@H](CC(C)C)c1ccccc1	507491363	BLBJHAXFPCLDIY-QFBILLFUSA-N	296.458	5.082	0	20	CKAD	
CC(C)c1ccccc1OCc1cc(-c2ccccc2)on1	511358230	HSKKDCSKVVOFHR-UHFFFAOYSA-N	293.366	5.044	0	20	CKAD	
COc1ccccc1S[C@@H](C)c1cccc(Cl)c1	521386518	IPKGYOZJEKMMME-NSHDSACASA-N	278.804	5.202	0	20	CKAD	
CC(C)C[C@H](NCc1sccc1Cl)c1cccs1	549064429	XSNRCWOXJLVOAX-LBPRGKRZSA-N	299.892	5.340	0	20	CKAD	
Cc1noc([C@H](C)S[C@@H](C)c2cccc3ccccc23)n1	604436081	KQKDVGVLNTXVDS-RYUDHWBXSA-N	298.411	5.087	0	20	CKAD	
CC/C=C(/C)C(=O)N(Cc1cccs1)C(C)(C)CCC	801751543	IDMPVBBBAHSMEJ-ZROIWOOFSA-N	293.476	5.012	0	20	CKAD	
C/C(=C/C(=O)Nc1ccc(C(C)C)cc1C(C)C)C1CC1	917665982	ZDOSCWSRNNJROF-UVTDQMKNSA-N	285.431	5.228	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C1CCCCC1	191541334	JXINMPLIQXUCII-UHFFFAOYSA-N	287.447	5.281	0	20	CKAD	
Cc1ccccc1CSCc1csc(C(C)C)n1	302974327	TUQINBWFQJQISQ-UHFFFAOYSA-N	277.458	5.008	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@@H]1CCC[C@@H]1c1ccccc1	480252788	FIMSYOJSFRIDNA-FVQBIDKESA-N	299.380	5.033	0	20	CKAD	
CCCc1ccccc1NC(=O)C[C@@H](CC)c1ccccc1	504323997	GJTDFYITMOCGRH-MRXNPFEDSA-N	295.426	5.162	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2cccs2)c1	538629349	UBXGJIOCXDGESD-LLVKDONJSA-N	263.431	5.033	0	20	CKAD	
CCCCCS[C@@H](C)c1nnc(-c2ccc(C)cc2)o1	539250559	DSMWZSZGYXCUOZ-ZDUSSCGKSA-N	290.432	5.029	0	20	CKAD	
CC[C@@H](C)Oc1cccc(N[C@@H](c2cccnc2)C(C)C)c1	559878719	SJBZYRIRDNLTNX-DNVCBOLYSA-N	298.430	5.068	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccsc1)c1ccsc1	669850952	PWHLUPSHIWFAKA-RISCZKNCSA-N	265.447	5.002	0	20	CKAD	
CC(C)c1cnc(COc2ccc(-c3ccccc3)cc2)o1	733303788	BITHZKORGNKNNM-UHFFFAOYSA-N	293.366	5.044	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2csc3ccccc23)oc1C	800478148	XUZPPKLMZUXVNX-STQMWFEESA-N	299.439	5.523	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc3ccccc3c2)cs1	381683980	DMKMIXKSWRJRQZ-CYBMUJFWSA-N	267.397	5.383	0	20	CKAD	
CCC(CC)(CC)[S@](=O)[C@@H]1CCc2c(Cl)cccc21	431210028	QZACPZIBJHOYRS-DNVCBOLYSA-N	298.879	5.045	0	20	CKAD	
Cc1cccc([C@@H](C)S[C@@H](C)c2nc(C(C)C)no2)c1	437271642	WDMBCQRJMBNMEH-OLZOCXBDSA-N	290.432	5.057	0	20	CKAD	
C[C@H](Nc1ccc2ccn(C)c2c1)c1ccc(Cl)s1	443095992	SQMMLBXKKZHAGN-JTQLQIEISA-N	290.819	5.066	0	20	CKAD	
CC[C@@H](c1ccccc1)[S@@](=O)c1ccc(C(C)C)cc1	463680152	DDBDWZYXSFRKCX-ICSRJNTNSA-N	286.440	5.069	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)oc1C	502707952	OOEAIYGBWSXJJJ-LIRRHRJNSA-N	283.415	5.088	0	20	CKAD	
CCc1nc(CS[C@@H](CC)c2ccccc2)cs1	507739675	FHGSPDBXLFQQCL-AWEZNQCLSA-N	277.458	5.090	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1ccc2c(c1)CCC=C2	556559732	ZGJSGNIFAOBJGG-UHFFFAOYSA-N	291.394	5.022	0	20	CKAD	
CC[C@H](Sc1nccn1C1CC1)c1ccc(Cl)cc1	921012916	KOKDDFMAODZXBY-AWEZNQCLSA-N	292.835	5.115	0	20	CKAD	
Cc1ccccc1CNCc1ccc(-c2ccccc2)s1	37487191	ZTNGTHAHDAQQDT-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
C[C@H](N[C@@H](CC1CCCC1)c1ccccc1)c1ccncc1	90765518	YFCPAOIMHFPVLS-JXFKEZNVSA-N	294.442	5.054	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccccc2C2CC2)c(C)s1	94357633	UPSMXVPIULPJKM-ZDUSSCGKSA-N	285.456	5.093	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H]2CCc3ccc(C)cc32)cc1	98005612	RDWMYVJAEZWWQT-LIRRHRJNSA-N	297.467	5.055	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](c2ccccc2)c2ccco2)cs1	381783498	RJRYHMGUYGLVFN-KBXCAEBGSA-N	297.423	5.090	0	20	CKAD	
CCCCN(CCCC)C(=O)Nc1ccccc1C(F)F	425718013	UEEZIFQMULCUHE-UHFFFAOYSA-N	298.377	5.058	0	20	CKAD	
C[C@H](SCc1ccc2ccccc2n1)c1ccccc1F	509984290	UDXSKHJAVVZGMW-ZDUSSCGKSA-N	297.398	5.368	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1cnccc1C)c1ccccc1	537889501	XUFATHFQJAPUIA-JXFKEZNVSA-N	296.458	5.218	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1cccc(F)c1	556038671	QSKWDUAKHGKYTL-KGLIPLIRSA-N	283.390	5.115	0	20	CKAD	
CC(C)(C)c1ccc(CNC(C)(C)c2cccs2)s1	557800562	RYOOZFSOMZITLW-UHFFFAOYSA-N	293.501	5.132	0	20	CKAD	
CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccccc2F)cc1	606156799	AHUKIXIUVZNYFT-AWEZNQCLSA-N	299.389	5.081	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)C1CCCC1	658036254	ZNAVFZFAADRRQJ-WFASDCNBSA-N	296.405	5.029	0	20	CKAD	
Clc1ccc(CNc2ccccc2-c2ccccc2)cn1	749258775	YGJFSYAQZQOYII-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
CCCCCC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1C	915301654	METXUSSEKHVKMW-MRXNPFEDSA-N	290.451	5.092	0	20	CKAD	
CC(C)(C)[C@H](N[C@@H]1CCCc2occc21)c1ccccc1	122130438	CBIWPSSDIRSVDR-SJLPKXTDSA-N	283.415	5.034	0	20	CKAD	
FC(F)c1cccc(CNc2cccc3ccccc23)c1	131743416	KWTAJPBSZBTSHL-UHFFFAOYSA-N	283.321	5.390	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1	315526605	IRARPYDYQHHBAJ-DLBZAZTESA-N	297.442	5.194	0	20	CKAD	
CC[C@@H](Nc1cccc(C2CCC2)c1)c1ccc(F)cn1	462940422	HVQLPGIZBZVULN-QGZVFWFLSA-N	284.378	5.051	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1F)C1CCCC1)c1ccco1	484622475	SGTRNWLMXUXMNG-FZKQIMNGSA-N	287.378	5.001	0	20	CKAD	
FC(F)c1csc(-c2c(Cl)cccc2Cl)n1	504424467	PCHAZTIIMORBOY-UHFFFAOYSA-N	280.126	5.055	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@@H](C)c2cccs2)cc1	571585389	IIEWUVPTDYWUPU-STQMWFEESA-N	291.485	5.272	0	20	CKAD	
Cc1ccc(OCc2nc(-c3ccccc3)c(C)s2)cc1	614539218	CHUWZSLEJVUARD-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
CC[C@H]1CCCCCN1C(=O)Nc1ccc2ccccc2c1	740428333	OULKUDNISCXTKB-SFHVURJKSA-N	296.414	5.026	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc(-c3nccs3)c2)c(C)o1	37778441	WTNRFWLXKFOLIL-LBPRGKRZSA-N	298.411	5.193	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@H](C)c1ccsc1	50343973	VGQPMLSOSLGJIE-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
CC[C@H](N[C@H]1CCCc2sccc21)c1ccc(F)cc1	61359853	PEWLMISAZIMIHI-HOTGVXAUSA-N	289.419	5.006	0	20	CKAD	
O=C(C=C1CCCCC1)Nc1ccccc1-c1cccs1	65774510	GRYPJFAFVSQYGL-UHFFFAOYSA-N	297.423	5.244	0	20	CKAD	
Cc1nc(CNc2ccccc2-c2ccccc2)sc1C	94963942	VCKZAEVJWQVIEY-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CC[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(C)C	303340274	YSRNCFGHBHXCCD-SNVBAGLBSA-N	288.218	5.004	0	20	CKAD	
Cc1cc(N[C@H](C)c2ccccc2)ccc1-c1ccncc1	427827353	QVDLACAZRPMQAA-MRXNPFEDSA-N	288.394	5.230	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(C)cc1)c1ccsc1	443085315	AZZLGZZBDLHOMT-RHSMWYFYSA-N	273.445	5.249	0	20	CKAD	
C[C@@H](N[C@H](c1cccc(F)c1)C1CCCC1)c1ccoc1	532543013	BYDBDGJFNQKLJM-ACJLOTCBSA-N	287.378	5.001	0	20	CKAD	
Cc1ccnc([C@H](C)Nc2ccccc2SC(C)C)c1	552290671	QHDZSGJVPDIQER-AWEZNQCLSA-N	286.444	5.064	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](CC(C)C)c1cccs1	557247633	QHVSSADPBQEHCU-KGLIPLIRSA-N	293.501	5.556	0	20	CKAD	
C[C@H](Nc1ccc(-c2ccccn2)cc1)c1cccc(F)c1	579047955	KFBQPJJYTAFLCC-AWEZNQCLSA-N	292.357	5.061	0	20	CKAD	
c1ccc([C@H](N[C@@H]2CCCc3ccccc32)C2CCC2)cc1	591377501	PUTMPCZRHCWDBW-RTWAWAEBSA-N	291.438	5.195	0	20	CKAD	
CC(C)(C)Sc1ccc(NC2CC(CF)(CF)C2)cc1	850458703	VXVOOXYGKKCTNT-UHFFFAOYSA-N	299.430	5.077	0	20	CKAD	
CC[C@H](NCc1ccccc1)c1cccc2ccccc12	887570986	POCSFJMVUODFHK-FQEVSTJZSA-N	275.395	5.081	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)o1)c1cccc(Cl)c1	36921488	ZQNHFXNPZDGCNF-IUODEOHRSA-N	277.795	5.043	0	20	CKAD	
C[C@H](Sc1nccs1)c1ccc(Cl)cc1Cl	64669855	RACWHLKZJRKHKJ-ZETCQYMHSA-N	290.240	5.303	0	20	CKAD	
C[C@@H](Nc1ccc(Cl)cc1)c1cnc2ccsc2c1	85433062	KGBMYBQLCXVYLS-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@H]1C=CCC1	191551914	UWFATXCYYYIGMD-HNNXBMFYSA-N	285.431	5.057	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H]2C[C@H](C)c3ccccc32)cc1	313997808	YWOHGYDZINUVHI-CKFHNAJUSA-N	297.467	5.308	0	20	CKAD	
Cc1nnc([C@H](C)SCC2CCC(C(C)(C)C)CC2)o1	345536568	HAMARPZXDORNLL-XGNXJENSSA-N	296.480	5.025	0	20	CKAD	
CCC(CC)(CC)[S@](=O)[C@H]1CCc2c(Cl)cccc21	431210030	QZACPZIBJHOYRS-HNAYVOBHSA-N	298.879	5.045	0	20	CKAD	
c1ccc([C@@H](CC2CCCCC2)NCc2ccco2)cc1	500892536	GVEZNHWCSGWGKO-LJQANCHMSA-N	283.415	5.081	0	20	CKAD	
CCCc1c(C)nc2ccc(C(F)(F)F)cc2c1CC	536953599	MXGGVDBHLXDYBZ-UHFFFAOYSA-N	281.321	5.077	0	20	CKAD	
Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@H](C)c1ccoc1	540835743	WEXDVZHBYDSGBW-JKSUJKDBSA-N	298.430	5.140	0	20	CKAD	
CC[C@H](C)CCC(=O)Nc1cccc(C(F)F)c1Cl	552162460	VGVZRSDXQMEABE-VIFPVBQESA-N	289.753	5.042	0	20	CKAD	
CCCc1ccccc1NC(=O)c1cccc(C2CCC2)c1	622304334	DXHUQUNZFFQHGY-UHFFFAOYSA-N	293.410	5.159	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)C1CCCCCCC1	741510738	GCVAVHXGBWAKOZ-UHFFFAOYSA-N	287.447	5.110	0	20	CKAD	
CC(C)[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccccn1	766080342	DNDZNDHUOYKFCB-BPAFIMBUSA-N	294.442	5.007	0	20	CKAD	
O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1F	7741072	PPBSNOMWNZBCML-SOFGYWHQSA-N	295.140	5.029	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc(C)sc2C)s1	37122949	WVJIPAHMVMRUBI-VXGBXAGGSA-N	279.474	5.147	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccccc1SC1CCCC1	72010953	YHXSCQFBTNJFGR-JYRVWZFOSA-N	289.444	5.016	0	20	CKAD	
Oc1ccc(C2[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1	98180324	INMSSBLNRNGVCD-PMACEKPBSA-N	286.374	5.057	0	20	CKAD	
Cc1ccccc1[C@H](C)Nc1cccc(-c2ncco2)c1C	427457730	LKKQZYSMZONJTC-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
Cc1cnc([C@@H](C)SC/C=C\c2ccc(Cl)cc2)o1	468653686	XGRIKPWVTHQWJN-VSQXVHSFSA-N	293.819	5.144	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@@H](C)c2cc(C)sc2C)c1C	477946223	QFCWVLOGGBTWIU-PWSUYJOCSA-N	291.464	5.014	0	20	CKAD	
C[C@H](NC1CCC(F)(F)CC1)c1cccc2ccccc12	536836554	BAALOMNLFRROEH-ZDUSSCGKSA-N	289.369	5.068	0	20	CKAD	
Cc1cc(N2CCCCCC2)ccc1N[C@H](C)c1ccoc1	556912029	ISZWJQQRTVWAFJ-MRXNPFEDSA-N	298.430	5.142	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1cc2ccccc2s1	559878933	WJEIAQFWRYTFAR-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
C[C@H](Nc1cccc2ccsc12)c1ccc(Cl)nc1	777706923	FVRXTVFZKMFVEP-JTQLQIEISA-N	288.803	5.123	0	20	CKAD	
CCCC[C@@H](C)N(C)C(=S)Nc1ccc(C(C)C)cc1	811718993	AHXTUFXCVKUOQK-CQSZACIVSA-N	292.492	5.017	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccccc1	21019670	LQLDXMBKBNGKIG-RDTXWAMCSA-N	271.379	5.018	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C(C)C)c1cccs1	36967229	YTLRAKWTYUESKO-NVXWUHKLSA-N	273.445	5.186	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1cccs1	37122808	ROECNPYEVGCHAD-SMDDNHRTSA-N	279.474	5.228	0	20	CKAD	
c1csc(SCc2csc(C3CCCCC3)n2)c1	303659344	HBRHWKNFDZHDAP-UHFFFAOYSA-N	295.498	5.545	0	20	CKAD	
CCSc1cccc(CN[C@H](C)c2sccc2C)c1	426310706	CBYSQNJKXMPHLT-CYBMUJFWSA-N	291.485	5.019	0	20	CKAD	
c1ccc(-c2cncnc2Oc2ccc3ccccc3c2)cc1	432171706	GSIDKOYWSUCCHW-UHFFFAOYSA-N	298.345	5.089	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](c1ccccc1)C1CCC1	482441674	ULYAEOUBCDMNQM-YOEHRIQHSA-N	285.456	5.249	0	20	CKAD	
O=C(Nc1cccc(C(F)F)c1)c1cccc2ccccc12	507120394	SAJFBBAOQCCGOV-UHFFFAOYSA-N	297.304	5.030	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@@H](c1ccccc1C)C(C)(C)C	536774474	ANKMXZODSOBXID-LPHOPBHVSA-N	296.458	5.136	0	20	CKAD	
C[C@@H](Sc1cccc2cccnc12)c1ccccc1	605258460	HOWAXIXHJYNBRP-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1cc2occc2s1	605449380	JLUIGQCAXFAAIA-UHFFFAOYSA-N	299.395	5.178	0	20	CKAD	
CC(C)c1ccc(CS[C@H](C)c2ccncc2)cc1	609782823	ZQYRASUINHZHFZ-CQSZACIVSA-N	271.429	5.199	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1nc2ccccc2s1	20126272	DAKSLMCYHGEKKQ-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1ccccc1F	21816459	ZKVVYUUTZVFOCC-CYBMUJFWSA-N	265.331	5.152	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@@H](C)c2cc3ccccc3s2)c1	285994980	IHLWMBJWVRVUBQ-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CC[C@@H](C)c1ccc(-c2csc([C@H](C)COC)n2)cc1	503949570	GEFQIMIVHLCTCZ-CHWSQXEVSA-N	289.444	5.074	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1sccc1C)C1CC1	532511331	YNAYFRBFGUIAGC-PBHICJAKSA-N	285.456	5.167	0	20	CKAD	
CSc1ccc([C@@H](C)Nc2cccc3ccncc23)cc1	131445410	OCBXWNVIGXMYAA-CYBMUJFWSA-N	294.423	5.130	0	20	CKAD	
CCC[C@@H](Nc1ccc(COCC)cc1)c1ccsc1	443083900	DYMDQYTYADZYJB-QGZVFWFLSA-N	289.444	5.238	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@H](C)c2csc(Cl)c2)c1C	477922739	RQVMAEDJIUCFBT-NXEZZACHSA-N	297.855	5.051	0	20	CKAD	
CC(C)(C)c1cnc(CSCc2ccccc2Cl)o1	500264988	BVAVUAWRRQFXOU-UHFFFAOYSA-N	295.835	5.059	0	20	CKAD	
CCCc1ccc([C@@H](N[C@H](C)c2ccncc2)C(C)C)cc1	507633888	GFWQFKDUBXFEBK-UZLBHIALSA-N	296.458	5.082	0	20	CKAD	
C[C@@H](SCc1ccc(C(F)F)cc1)c1cccnc1	561742144	CQRPOCUYYFYKOW-LLVKDONJSA-N	279.355	5.014	0	20	CKAD	
CCCCSCc1coc(-c2cccc(Cl)c2)n1	603549054	ZMKREWFVUGCWFG-UHFFFAOYSA-N	281.808	5.028	0	20	CKAD	
COc1ccccc1S[C@@H](C)c1ccccc1Cl	620678993	LTVRMFUBERXNEI-NSHDSACASA-N	278.804	5.202	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cc(C)c(C)cc1C)c1ccccn1	675816126	LMSRUBLTVZUUMY-FXAWDEMLSA-N	296.458	5.199	0	20	CKAD	
Clc1csc(CN[C@H](CC2CC2)c2ccccc2)c1	785477099	LDJCGAKWRYWOOM-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccccc1	127175931	GBXFXTGXVYWHLU-FZMZJTMJSA-N	291.847	5.130	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1Cl	231635048	JIGUCULWTDHXBA-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
Cc1csc(CN[C@H](CC(C)(C)C)c2ccccc2)c1	380839327	WYMGYAYRGKNEHZ-QGZVFWFLSA-N	287.472	5.324	0	20	CKAD	
CCc1cccc(N[C@H](C)c2csc(C(C)C)n2)c1	469795375	CFSJJTXYHXZCMQ-GFCCVEGCSA-N	274.433	5.002	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2sccc2C)c1	482653706	YZZOAPSSGMJWDU-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
CCCCc1ccc(C(=O)Nc2c(C)cccc2CC)cc1	590122900	JLICTLHGIFSSDC-UHFFFAOYSA-N	295.426	5.152	0	20	CKAD	
Cc1ncc(CS[C@@H](C)c2ccccc2Cl)s1	604434629	WLAWAVQQVYZKAK-VIFPVBQESA-N	283.849	5.099	0	20	CKAD	
Cc1c(Cl)cccc1NC(=O)CC/C=C\c1ccccc1	606156848	GFXAXQPQNMCFGY-YHYXMXQVSA-N	299.801	5.081	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2cccc(CC)c2)cc1	7377734	UXWCVAREGKPCDT-UHFFFAOYSA-N	298.455	5.010	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cccc(F)c1)c1ccccc1	20563419	LODGELSSKSCRKJ-RDTXWAMCSA-N	271.379	5.018	0	20	CKAD	
C[C@@H](Sc1ccccn1)c1ccc2ccccc2c1	59833243	WJFHAMNLFPNPMC-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
Fc1ccccc1-c1cn(CC(F)(F)F)c2ccccc12	98181192	JNLRAKFXCFUSDW-UHFFFAOYSA-N	293.263	5.010	0	20	CKAD	
C[C@@H](SCc1csc(C2CC2)n1)c1cccs1	126291798	IRRRPDHFRAIIOG-SECBINFHSA-N	281.471	5.076	0	20	CKAD	
CC[C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1	315932048	VVYSGVBTUDRMFX-HXUWFJFHSA-N	294.442	5.240	0	20	CKAD	
Cc1nnc([C@@H](C)SCC2CCC(C(C)(C)C)CC2)o1	345536390	HAMARPZXDORNLL-LMWSTFAQSA-N	296.480	5.025	0	20	CKAD	
C[C@H](Nc1cccc(C(C)(F)F)c1)c1ccccc1F	435923087	NADBBCDGPPDDSK-NSHDSACASA-N	279.305	5.111	0	20	CKAD	
Cc1cc2cc([C@H](C)N[C@H](C)CC(F)(F)F)oc2cc1C	468051933	QXBNHNAOJNZKFP-NEPJUHHUSA-N	299.336	5.041	0	20	CKAD	
Cc1cnc([C@H](C)SCc2ccc(C3CCC3)cc2)o1	485604398	UNPDVWVFGKLSFS-ZDUSSCGKSA-N	287.428	5.245	0	20	CKAD	
CCc1cccnc1[C@@H](C)Nc1csc2ccccc12	507477938	LVWMRITXGVUINZ-GFCCVEGCSA-N	282.412	5.032	0	20	CKAD	
C[C@@H](SC1CCCC1)c1ncc(-c2ccccc2)o1	525430666	SLSGEHDCHSSBLE-GFCCVEGCSA-N	273.401	5.078	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](c2ccc(C)o2)C2CCC2)c1	541768023	BRWSNBIOWANYNJ-IFXJQAMLSA-N	299.414	5.249	0	20	CKAD	
CCC(C)(CC)C(=O)Nc1cccc(C(F)F)c1Cl	681001544	KFNAIUPLAISIKT-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
CCCCC[C@H](C)NC(=O)Nc1ccccc1C(C)(C)C	915307812	RPNMMOYODBHDED-AWEZNQCLSA-N	290.451	5.074	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1ccc(C(C)C)cc1C(C)C	918603937	BJVSKXZDEYGWAX-RIYZIHGNSA-N	273.420	5.228	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1cccc(Cl)c1	42328850	WOQWIPWBWYRCJN-BDJLRTHQSA-N	291.847	5.203	0	20	CKAD	
CC[C@@H](NCc1cccc2ccccc12)c1ccccc1	50198404	RLLWEDPKBMQXSE-HXUWFJFHSA-N	275.395	5.081	0	20	CKAD	
Cc1csc([C@H](C)N[C@@H](C)c2cccc3ccccc23)n1	80275189	IDACDKPQCZUUTF-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CCC[C@H](C)CC(=O)Nc1ccccc1-c1ccccc1	109705216	SQHDFBMSIBWFOF-HNNXBMFYSA-N	281.399	5.118	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2csc(Cl)c2)cc1	230408161	UCBMUSNSDFPIMM-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
Cc1cccc(C(C)C)c1NCc1nc(C2CC2)cs1	342566873	MLVSYDLJPJVICE-UHFFFAOYSA-N	286.444	5.064	0	20	CKAD	
C[C@@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1cccs1	484289903	CIOUOBGHLHEASE-MLGOLLRUSA-N	291.435	5.325	0	20	CKAD	
Cc1cc(CN[C@H](CC(C)C)c2cccs2)ccc1F	520205147	ZSPWSZWMMLEQCA-MRXNPFEDSA-N	291.435	5.073	0	20	CKAD	
C[C@H](SCc1csc(C2CC2)n1)c1ccccc1F	536191541	INHRJIYKVPZEIZ-JTQLQIEISA-N	293.432	5.154	0	20	CKAD	
Clc1oc2ccccc2c1CNc1cccc2cc[nH]c12	547497071	AQLZPZUNTJIWAR-UHFFFAOYSA-N	296.757	5.180	0	20	CKAD	
Cc1ccc(SCc2coc(-c3ccc(F)cc3)n2)cc1	641860513	DWYBZMXDPFEJOU-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCN2C(=O)CCCC2CC2)cc1	643236860	CTYAHXURBAXGDV-LJQANCHMSA-N	299.458	5.054	0	20	CKAD	
Clc1ccc(CNc2ccc3occc3c2)cc1Cl	864018017	KWRULKISXCTUGD-UHFFFAOYSA-N	292.165	5.352	0	20	CKAD	
Cc1csc([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)n1	80274382	UHDOXGRDKFVMEV-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)CCC(C)C)c(C)c1	499728629	YKXKKJQAOYSFNN-AWEZNQCLSA-N	293.476	5.260	0	20	CKAD	
Clc1cccc(CS[C@H]2CCCc3ccccc32)n1	743453684	ISGRFEZKCUYRFN-HNNXBMFYSA-N	289.831	5.046	0	20	CKAD	
CC(C(=O)Nc1ccccc1SC(C)C)=C1CCCC1	760990532	DHJOKCGWBABKSU-UHFFFAOYSA-N	289.444	5.016	0	20	CKAD	
CC(C)c1ccc(NC(=O)C[C@H]2C=CCC2)c(C(C)C)c1	27137204	ROLCOWVFVDCNPE-HNNXBMFYSA-N	285.431	5.228	0	20	CKAD	
O=C(CCCC1CCCCC1)Nc1ccccc1Cl	247754271	CLTGEGMXKABJDW-UHFFFAOYSA-N	279.811	5.029	0	20	CKAD	
CC[C@@H](NCc1cc2cc(F)ccc2o1)c1ccc(C)cc1	360830887	FSUQCFDRPABRDN-GOSISDBHSA-N	297.373	5.121	0	20	CKAD	
C[C@H](NCc1ccc(-c2cccs2)cc1)c1cccs1	444678042	VLTRUUSTZZOPHZ-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
c1ccc2c(-c3csc(-c4ccncc4)n3)csc2c1	477263173	YCNCVSSMILRIBP-UHFFFAOYSA-N	294.404	5.087	0	20	CKAD	
CCC(CC)SCc1coc(-c2ccc(F)c(F)c2)n1	483319564	GGTCXVZWVAOHCD-UHFFFAOYSA-N	297.370	5.042	0	20	CKAD	
Clc1cc(CSc2cccs2)c2ncccc2c1	522684159	QUWYQXIMNZOSRK-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
CC[C@@H](SCCC(F)(F)F)c1ccc(F)cc1F	525403565	KXKSSAWAOIPLIF-LLVKDONJSA-N	284.293	5.102	0	20	CKAD	
CCC[C@H](Nc1cccc(O[C@H](C)CC)c1)c1cccnc1	551240345	KCGAZAFEFIHVCV-BEFAXECRSA-N	298.430	5.212	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H](C)c2ccc(F)c(Cl)c2)o1	582597239	DWXJEOUYXPJLSS-NXEZZACHSA-N	299.798	5.331	0	20	CKAD	
Fc1ccc([C@H](Sc2ccccn2)c2ccccc2)cc1	607757280	RRLATABRIBEZND-GOSISDBHSA-N	295.382	5.102	0	20	CKAD	
CC[C@H](N[C@@H]1CCC(F)(F)C1)c1cccc2ccccc12	682138990	PDSCOJFKEMKLIS-PBHICJAKSA-N	289.369	5.068	0	20	CKAD	
Cc1nc(-c2ccc(NC3CCC4(CC3)CC4)cc2)oc1C	683108726	BUSYLPTWMZFSBL-UHFFFAOYSA-N	296.414	5.093	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@H](C)C1CC1	788481170	FJPSADYJWBWUGG-AWEZNQCLSA-N	287.447	5.137	0	20	CKAD	
Cc1ccc(/C=C(\Cl)c2nc3ccccc3s2)s1	18063468	LTUTXATUGUGWAF-FLIBITNWSA-N	291.828	5.403	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(C(C)(C)C)cc2)c(C)o1	44729265	JBIHKFYQVDMLEU-AWEZNQCLSA-N	285.431	5.045	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCc3cc(Cl)ccc32)s1	155873182	BGFSBKVDPGZQOE-NHYWBVRUSA-N	291.847	5.048	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc(-c3nc(C)c(C)o3)c2)o1	183019839	CJDGUDVOLKVBBD-ZDUSSCGKSA-N	296.370	5.033	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1ccccc1	191526014	GWIYHVNKBKGPHA-UHFFFAOYSA-N	281.399	5.015	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2cccc(C(F)F)c2)cc1C	470777472	WOQGTMSSLMWTEB-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
CC[C@H](NCc1ccc(C)c(F)c1)c1ccc(Cl)s1	512213300	NGCVYZJATYFMES-ZDUSSCGKSA-N	297.826	5.090	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccsc1)c1cccc(Cl)c1F	669851170	WPFCLZJYFCXCGL-YGRLFVJLSA-N	297.826	5.343	0	20	CKAD	
CC[C@H](C)NC(=S)Nc1ccc(C(C)C)cc1C(C)C	749764217	NZMLQESHYYBTOK-ZDUSSCGKSA-N	292.492	5.018	0	20	CKAD	
COCc1ccc(N[C@H](c2ccc(C)o2)C2CCCC2)cc1	774486504	SQQNICWOIHHTRC-IBGZPJMESA-N	299.414	5.078	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C(F)=C1CCC1	819510967	WHISSTQWMZBAFY-UHFFFAOYSA-N	289.394	5.109	0	20	CKAD	
CC[C@H](Nc1nc2ccccc2o1)c1ccc(Cl)cc1	29412018	ZYOVMZNWJUFSRK-ZDUSSCGKSA-N	286.762	5.044	0	20	CKAD	
CC[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1	50198276	NFMACHQXPZBJGG-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
C[C@H](N[C@H]1CCc2ccccc21)c1cc2ccccc2s1	121974866	UFCAVLAJDNASFB-GUYCJALGSA-N	293.435	5.239	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)o1	314944059	UNMXNHYPKLLFPL-MRXNPFEDSA-N	291.394	5.106	0	20	CKAD	
C[C@H](Nc1ccc(Cl)cc1)c1ncc(-c2ccccc2)o1	439546404	IPJDGWBFMTUOGC-LBPRGKRZSA-N	298.773	5.168	0	20	CKAD	
C[C@@H](NCCCCOC(C)(C)C)c1cccc2ccccc12	475331851	ZSWPHPZIKWDLNN-MRXNPFEDSA-N	299.458	5.086	0	20	CKAD	
Cc1cc(C)c(NC(=O)[C@H](C)CC2CCCCC2)c(C)c1	510180175	KKLCZTIOAHUHEJ-MRXNPFEDSA-N	287.447	5.157	0	20	CKAD	
CC(C)(C)c1cnc(CNc2ccc3ccccc3c2)s1	790468135	PDQSMEHYBJTZLV-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1N[C@H](C)c1ncco1	926080579	ZJWPFAJVCQFIOE-GFCCVEGCSA-N	290.432	5.047	0	20	CKAD	
Cc1ccc(-c2oc3ccccc3c2Br)s1	223159872	HZPMNCRAIZVJES-UHFFFAOYSA-N	293.185	5.232	0	20	CKAD	
C[C@H](CCCC(F)(F)F)Nc1ccc(C(F)F)cc1	386278165	DKCPLGDFYRONFL-SECBINFHSA-N	281.268	5.157	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2ccc(Cl)cn2)c1	480172453	SXMRYPYQGWYZIR-GFCCVEGCSA-N	274.795	5.032	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1cccc(C(C)C)c1	480673380	QMEOGNOWBCRBJH-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
CSc1ccccc1[C@H](C)NCc1ccc2occc2c1	512394339	CCWCKYMXLMWXDQ-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2ccc3c(c2)COC3)c1	537409002	XFPUHAWLOQOHFU-CQSZACIVSA-N	281.399	5.013	0	20	CKAD	
CC(C)c1ccc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)cc1	539051694	ARGOSVGNQWPOGI-FOIQADDNSA-N	294.442	5.007	0	20	CKAD	
CCCC(CCC)S[C@H]1CCO[C@@H](c2ccncc2)C1	600520655	LQMIQXSXACGKMY-DLBZAZTESA-N	293.476	5.004	0	20	CKAD	
C[C@H](N[C@@H]1CCc2ccccc21)c1csc2ccccc12	765837453	XBLOHNMNLWEZQD-SCLBCKFNSA-N	293.435	5.239	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccsc1	61360669	CRQWMOJNOMGBRU-WDEREUQCSA-N	299.361	5.179	0	20	CKAD	
CC(F)(F)c1cccc(NCc2coc3ccccc23)c1	436414223	QQZMVDRDBFLCSS-UHFFFAOYSA-N	287.309	5.157	0	20	CKAD	
C[C@@H](NC1CCC(F)(F)CC1)c1cc2ccccc2s1	446931689	RTXXIPUKKVKWCZ-LLVKDONJSA-N	295.398	5.130	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)c(C)o1)c1ccc(C)cc1	502415695	NSOBJZOSRUZCAU-WMLDXEAASA-N	271.404	5.007	0	20	CKAD	
C[C@H](SCc1ccccn1)c1ccc(C(F)(F)F)cc1	539625396	QNKJLXXVDWPHMI-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
C[C@H](Nc1cccc(CC(F)(F)F)c1)c1ccccc1F	539741935	WRJNUAHIBGZFGV-NSHDSACASA-N	297.295	5.104	0	20	CKAD	
CC(C)(C)/C=C\C(=O)Nc1ccccc1Oc1ccccc1	731893761	VDKPRVSDLKVCFA-YPKPFQOOSA-N	295.382	5.020	0	20	CKAD	
CSc1ccc([C@H](C)NCc2cc3ccccc3o2)cc1	35256543	MPAPXDYFJLUYQC-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@@H]2CCSc3ccccc32)c1	37103412	WHDPOWSVBJLLBT-CRAIPNDOSA-N	297.467	5.191	0	20	CKAD	
CC[C@@H](N[C@@H]1CCSc2ccccc21)c1cccs1	37127995	PUWHECYDLGRNSV-ZIAGYGMSSA-N	289.469	5.026	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1cccnc1Cl	182696790	BITIZRDXPURMSG-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
CCCCN(C(=O)[C@H]1CC=CCC1)[C@H](CC)c1ccccc1	303624022	XLAYCMOIXHGNHN-RBUKOAKNSA-N	299.458	5.123	0	20	CKAD	
CCCCc1nc(CNc2ccccc2C(F)F)cs1	424561849	BQVOCTAIZAKEDN-UHFFFAOYSA-N	296.386	5.035	0	20	CKAD	
Cc1cccc([C@H](N[C@H](C)c2cccc(O)c2)C(C)(C)C)c1	442779907	MDZVVRALVQZBEN-BEFAXECRSA-N	297.442	5.139	0	20	CKAD	
CC[C@@H](NCc1sccc1C)c1cccc(Cl)c1F	461096859	WAJAJNSLHLVMBC-CYBMUJFWSA-N	297.826	5.090	0	20	CKAD	
CC[C@@H](C)[C@@H](NCc1ccsc1)c1ccc(Cl)cc1	462761964	JIHDGQUSWJITMR-MLGOLLRUSA-N	293.863	5.279	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@H](C)c2cccs2)cc1	571585388	IIEWUVPTDYWUPU-QWHCGFSZSA-N	291.485	5.272	0	20	CKAD	
CC(C)c1ccccc1NC(=O)C1CCCCCCC1	741508742	WDOXAXOMNPWCIC-UHFFFAOYSA-N	273.420	5.109	0	20	CKAD	
CCCCCC[C@H](C)C(=O)N1CCC[C@@H]1c1ccsc1	741901366	FYACRHXHXZCOQN-GOEBONIOSA-N	293.476	5.018	0	20	CKAD	
CC(C)C[C@H](NCc1ccc(CF)cc1)c1cccs1	754296010	LXRGIANDBCTXJR-INIZCTEOSA-N	291.435	5.095	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc3ccccc3n2)c(C)s1	42373647	XLASPZJCVHRXTA-LBPRGKRZSA-N	282.412	5.086	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(Cl)cc2Cl)c(C)o1	44729304	BSNBIVHTHUCQSY-SNVBAGLBSA-N	298.213	5.054	0	20	CKAD	
CSc1cccc(N[C@H](C)c2csc(Cl)c2)c1	230411388	JJBIBFYRIIHMRS-SECBINFHSA-N	283.849	5.297	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1	315526608	IRARPYDYQHHBAJ-SJORKVTESA-N	297.442	5.194	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2cccc3ccsc23)s1	386403848	IHPKRFWIAITGAW-JTQLQIEISA-N	288.441	5.148	0	20	CKAD	
CSc1ccc(CN[C@H](C)c2cccc(C3CC3)c2)cc1	559740608	MJTUERMEOURUIZ-CQSZACIVSA-N	297.467	5.137	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CCC(C)(C)C	606158071	VTXPJCQOKDDHER-UHFFFAOYSA-N	289.463	5.698	0	20	CKAD	
CC(C)c1ccccc1NC(=O)c1cccc(C2CCC2)c1	622293542	QCNBRNOAJJHYME-UHFFFAOYSA-N	293.410	5.330	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2csc3ccccc23)c(C)c1	670770417	CFKGWFAAMVMIIT-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
CCSc1cccc(NCc2ccc(SC)s2)c1	685619163	YWFSFNBJRRVPHL-UHFFFAOYSA-N	295.498	5.194	0	20	CKAD	
CC/C(C)=C(/C)C(=O)Nc1c(CC)ccc(Cl)c1CC	779725243	PKNQFAGTXKDIAF-QXMHVHEDSA-N	293.838	5.150	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1c(CC)ccc(Cl)c1CC	920217387	VDPBZNPPQXTDBW-QXMHVHEDSA-N	293.838	5.150	0	20	CKAD	
C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(Cl)s1	94518602	VUEDZQQVZOUIQK-LLVKDONJSA-N	291.847	5.130	0	20	CKAD	
CC(C)Sc1ccc([C@@H](C)N[C@H](C)c2ccoc2)cc1	178621250	QJWDOKHWAODYHQ-ZIAGYGMSSA-N	289.444	5.192	0	20	CKAD	
Cc1ccc2sc(C(=O)Nc3ccccc3C)c(C)c2c1	445249124	KZEJFDUTFHFOFZ-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
Cc1ccc([C@H](C)NCc2cccc(C(F)F)c2)cc1C	470777471	WOQGTMSSLMWTEB-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)o1	477852769	MBUSSIUIBKDZRO-UONOGXRCSA-N	297.398	5.308	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](CC2CCC2)c2ccccc2)o1	495422245	ZFPAFICDARTXJH-MAUKXSAKSA-N	283.415	5.170	0	20	CKAD	
C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccccc1	531961092	USMSKEJHCDAPHK-LIRRHRJNSA-N	283.390	5.018	0	20	CKAD	
CCC[C@@H](CC)NC(=O)N(c1ccccc1)c1ccccc1	542048184	ZDZQVGMFDATMNP-MRXNPFEDSA-N	296.414	5.113	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C3CC3)c2)s1	551008559	XICVQXJSVFUYCZ-ZIAGYGMSSA-N	285.456	5.346	0	20	CKAD	
Cc1cscc1NC(=O)c1coc2ccc(C(C)C)cc12	561228626	UVQDKRNYXQPSGC-UHFFFAOYSA-N	299.395	5.178	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CCC(C)(F)F	682677608	FIFNWLMUOUQIDA-UHFFFAOYSA-N	297.389	5.136	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C(C)=C(/C)CC	788489570	YSMPLSVGXXNKPQ-PFONDFGASA-N	287.447	5.447	0	20	CKAD	
CCCC(CCC)S[C@H](C)C(=O)Nc1ccccc1C	64048268	LABYMCDKOLMCNI-CQSZACIVSA-N	293.476	5.024	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2sc(Cl)cc21)c1ccsc1	128272429	ZWCLBYYGNINIFZ-SKDRFNHKSA-N	297.876	5.191	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1ccc(Cl)s1	158180593	KPVUPODVDAJRJI-WDEREUQCSA-N	283.824	5.105	0	20	CKAD	
C[C@H](Nc1cccc(CC(F)(F)F)c1)c1cccs1	179635329	VASUZJRWRRYRHC-JTQLQIEISA-N	285.334	5.026	0	20	CKAD	
C[C@H](Sc1ccccc1F)c1ncc(-c2ccccc2)o1	303691368	MFNLSZSBWHCPGA-LBPRGKRZSA-N	299.370	5.334	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1c1cccs1	522670305	JBFZEAUKLGWIJP-CABCVRRESA-N	293.476	5.018	0	20	CKAD	
c1ccc2sc(CN[C@@H]3CCCc4sccc43)cc2c1	547341588	YERUCQCCNPRYBB-OAHLLOKOSA-N	299.464	5.130	0	20	CKAD	
CCC[C@@H](NCc1ccc(C(C)C)nc1C)c1ccccc1	555420619	JAFIRWGNJHSYNJ-HXUWFJFHSA-N	296.458	5.144	0	20	CKAD	
C[C@H](N[C@H]1CSc2ccccc21)c1cccc(C2CC2)c1	556094377	SQUZHXXCFKTXKD-UGSOOPFHSA-N	295.451	5.062	0	20	CKAD	
C[C@H](Nc1ccc(Cl)cc1)c1nccc2ccccc12	558506216	WGNANQIFJHYTRD-LBPRGKRZSA-N	282.774	5.061	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H]1CCc2cc(C)ccc21	442773009	BMQMIJVHTFATHC-RDTXWAMCSA-N	297.467	5.055	0	20	CKAD	
CC(C)CCCC(=O)Nc1cccc(C(F)F)c1Cl	450842573	MROCWOIRWHIWSY-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
FC(F)(F)Cc1nc(-c2csc3ccccc23)cs1	477269894	CFWYSFZKZYRDIL-UHFFFAOYSA-N	299.342	5.130	0	20	CKAD	
Cc1csc(CNc2ccc(-c3ccccc3)c(C)c2)n1	547246378	JXKZAZGXUJKCKM-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
C/C=C/c1ccc(NC(=O)c2ccccc2SCC)cc1	557965633	DCPGWTBZLSJCBQ-XVNBXDOJSA-N	297.423	5.084	0	20	CKAD	
CCC[C@H](C)N(C)C(=O)Nc1ccccc1-c1ccccc1	642405896	PDGDTDQDXRKDNJ-HNNXBMFYSA-N	296.414	5.006	0	20	CKAD	
C[C@H](N[C@H](C)c1ccoc1)c1ccc(-c2ccccc2)cc1	675722952	SRRRMUQEUVEZIX-JKSUJKDBSA-N	291.394	5.358	0	20	CKAD	
CC[C@@](C)(NCc1ccc(C(F)F)cc1)c1ccccc1	763884474	WTCVNRAAABZQCC-GOSISDBHSA-N	289.369	5.039	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)s2)cc1	36994381	LMIYPBJVCFQEBG-OLZOCXBDSA-N	291.485	5.190	0	20	CKAD	
CCCCc1nc(CNc2cccc(C(F)F)c2)cs1	172895869	PKVKWATXEATTTF-UHFFFAOYSA-N	296.386	5.035	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccsc1	443093186	LULPVPYRVXJKFT-NHYWBVRUSA-N	295.398	5.218	0	20	CKAD	
CC[C@H](N[C@@H](C)c1sccc1C)c1ccc(F)cc1F	483234490	MGPFOTQJZKGGOC-NHYWBVRUSA-N	295.398	5.137	0	20	CKAD	
CC(C)[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1	36967367	JTQUEKHPVPLASS-IEBWSBKVSA-N	297.467	5.210	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(C(C)C)cc2)s1	44386545	HVBJWLZIYAEGRJ-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccncc1	163614668	CKAWOLAXIFBWLJ-DNVCBOLYSA-N	282.431	5.007	0	20	CKAD	
Cc1c([C@H](C)N[C@@H](C)c2ccccc2F)oc2ccccc12	195656512	WRIJJGSLBCATMS-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
C[C@@H](Nc1cccc2ccsc12)c1ccsc1	386250163	RKTZCPOWDZBNGX-SNVBAGLBSA-N	259.399	5.136	0	20	CKAD	
CO[C@H](C)c1nc(CSC2CCC(C)(C)CC2)cs1	468387348	HLJHJTYTBORCTG-LLVKDONJSA-N	299.505	5.053	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1cc(C)oc1C	503868904	CZMUMBKPLLEHDZ-CHWSQXEVSA-N	289.444	5.030	0	20	CKAD	
CC[C@H](CC(=O)N(c1ccccc1)C(C)C)c1ccccc1	504347040	FDCJQOBKLHNNEX-QGZVFWFLSA-N	295.426	5.012	0	20	CKAD	
Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)c1ccco1	552320972	IKRYJBAXMUILEJ-INIZCTEOSA-N	298.430	5.142	0	20	CKAD	
CSc1ccc(CN[C@H](CC2CC2)c2ccccc2)cc1	608064236	RWQOBDZECNUTKC-LJQANCHMSA-N	297.467	5.040	0	20	CKAD	
CCO[C@@H](C)c1nc(CSCC2CCCCC2)cs1	609918385	XFIFIUHWLKGTLS-LBPRGKRZSA-N	299.505	5.054	0	20	CKAD	
Cc1cccc(CN[C@@H](C)c2csc3ccccc23)c1	730020166	ZNDVHXJVGGNEQD-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2cccc(C)c2C)cc1	16243652	YIHXWJZWYLMNME-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
CSc1ccc(CN[C@H](CC(C)C)c2ccccc2)cc1	34993417	NZZBHZCVHSLPSF-LJQANCHMSA-N	299.483	5.286	0	20	CKAD	
C[C@H](NCc1cccc(-c2ccccc2)c1)c1ccccc1	224914851	HGHJEBYPIQFVOK-KRWDZBQOSA-N	287.406	5.204	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2ccccc2F)c(C(C)C)c1	386132902	VUEDCADBRXIJKL-UHFFFAOYSA-N	299.389	5.325	0	20	CKAD	
C[C@H](CCCC(F)(F)F)Nc1cccc(C(F)F)c1	386207590	SPMDKGJYJQSUCV-SECBINFHSA-N	281.268	5.157	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@@H](N[C@@H](C)c1cccs1)CC2	427864475	FDGNFODHJIVQHJ-GUYCJALGSA-N	285.456	5.210	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)C2CCC(F)(F)CC2)c1	474045333	QFAZFORMIIUCCK-CHWSQXEVSA-N	297.389	5.020	0	20	CKAD	
CC[C@H](Nc1cccc(SC)c1)c1ccc(F)cc1F	523388238	BSXXEXWYJXGOGQ-INIZCTEOSA-N	293.382	5.250	0	20	CKAD	
CC[C@@H](S[C@H](C)c1ccncc1)c1ccccc1	610708226	OLGRAQLBSJFNBD-CZUORRHYSA-N	257.402	5.027	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)c(C)o1	683693369	WNWVSXVZVZKJSH-ZDUSSCGKSA-N	296.370	5.033	0	20	CKAD	
Cc1ccc(/C=C(/Cl)c2nc3ccccc3o2)cc1F	731490146	SASCSUJYDUJIMN-XYOKQWHBSA-N	287.721	5.012	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775623433	QCYIHVSDVLTHJU-MGPUTAFESA-N	292.426	5.216	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccccc1F)c1ccccc1	37128631	ONCJOIDYXVTYSK-SFHVURJKSA-N	285.406	5.093	0	20	CKAD	
C[C@H](Nc1cccc(-c2nccs2)c1)c1ccsc1	50343917	MSQAINMFGZYKRC-NSHDSACASA-N	286.425	5.045	0	20	CKAD	
CCc1ccc([C@@H](CC)N[C@@H](C)c2ccsc2)cc1	61361141	CVNDRYMXBMSBAP-SUMWQHHRSA-N	273.445	5.112	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2ccccc2s1)c1cccc(O)c1	126470918	PMNVZCRLLUDXLN-STQMWFEESA-N	297.423	5.019	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@H](C)c1nccs1	179817289	QFARSMOROVMSIE-SECBINFHSA-N	298.864	5.082	0	20	CKAD	
CC[C@@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1	303537919	SRYDBEPWNIWJFM-QZTJIDSGSA-N	285.818	5.068	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C(C)(C)C)cs1	381694330	FYKNZQLBMKOWMI-PBHICJAKSA-N	287.472	5.495	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@@H](c1ccccc1)C1CC1	442642144	DPFYDJJIKGFDCA-KUHUBIRLSA-N	297.467	5.210	0	20	CKAD	
Cc1ccccc1[C@@H](C)S[C@@H](C)c1nc(C(C)C)no1	480387150	KVDXPIMPWHSYSM-OLZOCXBDSA-N	290.432	5.057	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775623434	QCYIHVSDVLTHJU-QRWLVFNGSA-N	292.426	5.216	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)c1cccs1	20148282	BFNUDWXPQWCMOB-MNOVXSKESA-N	299.361	5.179	0	20	CKAD	
CCC[C@@H](NCc1ccc(OC(C)C)cc1)c1ccccc1	315548487	WUYVLGFIDPMNGY-HXUWFJFHSA-N	297.442	5.105	0	20	CKAD	
Cc1cc2cc([C@@H](C)N[C@@H](C)CC(F)(F)F)oc2cc1C	468051934	QXBNHNAOJNZKFP-NWDGAFQWSA-N	299.336	5.041	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2sccc2OC)c1	471605138	ZIDLYBXETRZEQD-LLVKDONJSA-N	293.457	5.042	0	20	CKAD	
CC(C)(C)c1nc(CSc2cc(F)ccc2F)cs1	511066874	XPKFPFGDNMNOSU-UHFFFAOYSA-N	299.411	5.011	0	20	CKAD	
CC[C@H](NC1CCC(F)(F)CC1)c1ccc(Cl)s1	536843856	GNCLESHVFKGLHA-JTQLQIEISA-N	293.810	5.020	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@@H](C)c1cscn1	540835734	QERPFOSBQRPXID-VIFPVBQESA-N	298.864	5.082	0	20	CKAD	
Cc1ccc2oc(CN[C@@H](C)c3ccc(C)c(C)c3)cc2c1	583534252	GEZBHRZSBPJDKP-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2cc3ccccc3s2)cc1F	596691107	ZURCORJBUQFENY-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
CC(C)(C)[C@@H](NCc1ccc(CF)cc1)c1ccccc1	777607144	YAWITGQVUUVZLO-SFHVURJKSA-N	285.406	5.033	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccn1)c1cccc2ccccc12	886790512	FBQLMMTWGOHGSJ-BEFAXECRSA-N	290.410	5.037	0	20	CKAD	
c1ccc([C@@H](CCN2CCCCC2)C2CCCCC2)cc1	33638009	XRIWYSDXWFTHGN-HXUWFJFHSA-N	285.475	5.227	0	20	CKAD	
CC[C@H](NCc1cccc(Cl)c1)c1ccc(Cl)cc1	35055407	RDGCCBXUYMRHAA-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@H](c2cccs2)C2CC2)c1	42330774	ZCOWACQZUZGFKT-KSSFIOAISA-N	285.456	5.167	0	20	CKAD	
CC(=O)c1c(C)cc(C)c(CNc2cc(C)cc(C)c2)c1C	45873910	DCMHOTUPCNOTDH-UHFFFAOYSA-N	295.426	5.043	0	20	CKAD	
C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccsc1	61361691	HPVBACKVTUUFNO-SMDDNHRTSA-N	299.361	5.092	0	20	CKAD	
C(=C\c1nc(-c2ccccc2)cs1)\c1ccsc1	96035495	MABFNJBFJNOCIR-SREVYHEPSA-N	269.394	5.042	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1	224973206	OGYRZVLFGFBXNS-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)o1	443224898	RDKSLDVKNPZSLE-CHWSQXEVSA-N	283.371	5.000	0	20	CKAD	
C[C@H](Sc1ccc(F)c(F)c1)c1ncc(C(C)(C)C)o1	476474113	ZYBUDFDRUNYMPO-VIFPVBQESA-N	297.370	5.104	0	20	CKAD	
Cc1ncsc1CS[C@@H](C)c1ccc(Cl)cc1	566942343	PVQIYZAENXFLMA-JTQLQIEISA-N	283.849	5.099	0	20	CKAD	
CCC/C=C/C(=O)Nc1ccc(S[C@H](C)CC)cc1C	729351399	RPKJMYJIQKMZSQ-MYSGNRETSA-N	291.460	5.180	0	20	CKAD	
CC[C@@H](N[C@H]1CCSc2ccccc21)c1cccs1	37127997	PUWHECYDLGRNSV-KGLIPLIRSA-N	289.469	5.026	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1	70091017	JQXGQROBRLPCGT-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1nccs1	80263215	KKCFQGPKCZXTQQ-CXAGYDPISA-N	296.439	5.098	0	20	CKAD	
C[C@H](N[C@H]1CCCc2sc(Cl)cc21)c1cccs1	127461930	JXLIDFFKHJOXEH-ONGXEEELSA-N	297.876	5.191	0	20	CKAD	
Cc1cc(-c2cc(Br)c(C)s2)sc1C	222687365	LFLVGJIPVNLMCS-UHFFFAOYSA-N	287.247	5.164	0	20	CKAD	
C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1cccc(F)c1	313586088	YNFKCHRYIFDSTG-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
FC(F)Oc1ccc(CNc2ccc3ccccc3c2)cc1	387489938	INVLJIHBLUAGSH-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(C2CC2)cc1)c1ccsc1	417351859	DQCMLBYWOMOQNO-OLZOCXBDSA-N	271.429	5.037	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccs1	482444749	AGZJYEOSRNONEQ-YVEFUNNKSA-N	289.419	5.079	0	20	CKAD	
Cc1cc(CS[C@@H](C)c2ccc3ccccc3c2)no1	507881760	UTHUGNYSVNGVIY-ZDUSSCGKSA-N	283.396	5.131	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@H](CC(C)C)c2ccccc2C)c1	560525232	KAFXEIIHYAUYNR-FXAWDEMLSA-N	296.458	5.136	0	20	CKAD	
CC(C)c1ccccc1OCc1coc(-c2ccccc2)n1	661478566	ZECYLSYPUOZJHO-UHFFFAOYSA-N	293.366	5.044	0	20	CKAD	
CCC[C@H](Nc1ccc(O[C@@H](C)CC)cc1)c1cccnc1	756815363	KZUBKTMBRSUKND-KXBFYZLASA-N	298.430	5.212	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc2ccccc12)c1nccs1	80264301	VUGFVGPXPFUHKD-CXAGYDPISA-N	296.439	5.098	0	20	CKAD	
O=C(/C=C/C1CCCCC1)Nc1cc(Cl)ccc1Cl	253466479	WPVWHAJWIHFBCQ-RMKNXTFCSA-N	298.213	5.068	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2cccc3ccsc23)c(C)c1	464554913	OGXGKQKDYZODOF-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1-c1cccs1	481323220	ORYIYZSKIPXDKG-KBXCAEBGSA-N	299.439	5.036	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc2ncsc2c1)c1ccccc1	485793315	BNXSZNWTHMGDGR-BBRMVZONSA-N	296.439	5.098	0	20	CKAD	
CC[C@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1	523652566	LQBQEDPXHXUWKL-IBGZPJMESA-N	291.394	5.188	0	20	CKAD	
Cc1cccc(C(C)(C)NCc2csc3ccccc23)c1	524237860	FSRPRLAOOJAPKA-UHFFFAOYSA-N	295.451	5.235	0	20	CKAD	
C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(C2CC2)c1	550700796	NXYDQYLSOSPLQZ-XCLFUZPHSA-N	295.401	5.041	0	20	CKAD	
Clc1cscc1CN[C@H](CC1CC1)c1ccccc1	676417851	IBPWITWPVPAQCW-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1ccc(F)cc1Cl	741877278	BGZQGENAEYZJHQ-LLVKDONJSA-N	285.790	5.024	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccccc1	36967340	UHZYQXWWVABJFJ-RDTXWAMCSA-N	287.834	5.388	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccccc1	37123036	RAYQUSRBBFVXGD-SUMWQHHRSA-N	273.445	5.167	0	20	CKAD	
COc1ccccc1SCc1cccc(C(F)(F)F)c1	60134036	MGFLVUNJUQBYNC-UHFFFAOYSA-N	298.329	5.006	0	20	CKAD	
Cc1ccccc1NC(=O)Nc1c(C)cccc1C(C)C	113525074	WKTDFUSIIFMKII-UHFFFAOYSA-N	282.387	5.071	0	20	CKAD	
CCCOc1cccc(N[C@@H](C)c2csc(C)c2)c1	381615556	QDDMFNNIFVDGLF-ZDUSSCGKSA-N	275.417	5.018	0	20	CKAD	
C[C@@H](Nc1ccc(Cl)cc1)c1ncc(-c2ccccc2)o1	439546403	IPJDGWBFMTUOGC-GFCCVEGCSA-N	298.773	5.168	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C1CCC1)c1cccs1	482440780	RPGLGNZIKSZQKR-FUHWJXTLSA-N	285.456	5.330	0	20	CKAD	
CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1ccccc1F	495105708	CAZKRMYZQJHNEB-ACJLOTCBSA-N	287.378	5.096	0	20	CKAD	
Fc1ccc2c(c1)CCc1c(C3CC3)nc3ccccc3c1-2	504710170	JNLXKUGLIQPSTA-UHFFFAOYSA-N	289.353	5.017	0	20	CKAD	
CC[C@@H](NCc1ccc(C)cc1C)c1ccc(Cl)s1	512220312	VELMRZUEVYOGNI-CQSZACIVSA-N	293.863	5.259	0	20	CKAD	
CCCN(C(=O)Nc1ccccc1)[C@H](CC)c1ccccc1	519888195	FOUGOTGUYSQYBZ-GOSISDBHSA-N	296.414	5.082	0	20	CKAD	
Cc1nc(CS[C@H](C)c2cccc3ccccc23)cs1	521565688	CPNKRGLMCHTDQO-GFCCVEGCSA-N	299.464	5.599	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C1CCCCCC1	523183926	XQAFWVSWJJQJSD-UHFFFAOYSA-N	273.420	5.027	0	20	CKAD	
C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1cc2ccccc2o1	539084431	UIDLVAYGAWBUOB-PJSUUKDQSA-N	291.394	5.017	0	20	CKAD	
c1ccc2cc(CNc3nccc4sccc34)ccc2c1	725789077	ZLUNAFVNNKOPHV-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2csc3ccccc23)ccc1F	730020090	WQLAGWYQOXBTME-ZDUSSCGKSA-N	299.414	5.200	0	20	CKAD	
C[C@H](SCCCC(=O)c1ccccc1)c1cccs1	737404677	UFULYAXNJLEVJM-ZDUSSCGKSA-N	290.453	5.205	0	20	CKAD	
CC[C@@H](C)NC(=S)Nc1ccc(C(C)C)cc1C(C)C	749764215	NZMLQESHYYBTOK-CYBMUJFWSA-N	292.492	5.018	0	20	CKAD	
C[C@H]1CSC(S[C@H](C)c2ccc3ccccc3c2)=N1	766296157	ZZPLEFQRTGAQSM-NWDGAFQWSA-N	287.453	5.125	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2ccc(C(C)(C)O)cc2)c1	863989263	NYCZTSXNSHHYMQ-HNNXBMFYSA-N	297.442	5.211	0	20	CKAD	
COc1ccccc1N[C@@H](C)c1cccc2ccccc12	21502186	XERJJUCDHOWUQU-AWEZNQCLSA-N	277.367	5.022	0	20	CKAD	
CSc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1	35285652	BWYGTBWRECPHIB-VIFPVBQESA-N	283.849	5.297	0	20	CKAD	
Cc1ccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)s1	37118970	BAGKMTGQMHKZDD-MRXNPFEDSA-N	291.435	5.073	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)C2CC2)o1	37280675	QEYBGBZQHVZXMY-SJCJKPOMSA-N	289.806	5.043	0	20	CKAD	
c1ccc(C(Sc2nccs2)c2ccccc2)cc1	60846747	ZXQBHTGKJJQLCM-UHFFFAOYSA-N	283.421	5.025	0	20	CKAD	
Cc1cc(C)cc([C@H](C)NCc2ccc(C(F)F)cc2)c1	461358832	HDYJGLGPBWQULG-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
CCc1ccc(Cl)c(CC)c1NC(=O)CC(C)(C)CC	467107962	WVQCPBLQIOTVIP-UHFFFAOYSA-N	295.854	5.230	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@H](c2cccs2)C2CC2)c1	480272514	CYZDXWMMFONYOQ-KDOFPFPSSA-N	285.456	5.167	0	20	CKAD	
Cc1nc(CS[C@@H](C)c2cccc3ccccc23)cs1	521565692	CPNKRGLMCHTDQO-LBPRGKRZSA-N	299.464	5.599	0	20	CKAD	
Cc1c([C@H](N[C@H](C)c2ccoc2)C(C)C)oc2ccccc12	531715143	PABYLQNMURITPA-RDTXWAMCSA-N	297.398	5.382	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1cc2ccccc2s1	559878919	WJEIAQFWRYTFAR-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
Clc1ncccc1CNc1ccccc1-c1ccccc1	751265839	OYDRLGSUSWOLDM-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccccc1Cl	35055323	YGGFCFWUVOPCHH-FZKQIMNGSA-N	285.818	5.142	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)c(C)o1	36968323	AVDGBOQXILYFIB-FZKQIMNGSA-N	289.394	5.083	0	20	CKAD	
C[C@@H](c1ccc(Br)cc1)C1CCCCC1	259551002	XLNBCARTVVGIOO-LLVKDONJSA-N	267.210	5.133	0	20	CKAD	
CC[C@@H](Nc1ccc(SC(F)F)cc1)c1ccsc1	394433952	MBJJJOAMPIAIJA-CYBMUJFWSA-N	299.411	5.626	0	20	CKAD	
C=Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1	460510111	JKOLADWSVGDDKW-UHFFFAOYSA-N	299.373	5.249	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc2ncsc2c1	485824873	SZLKZXSHQSLUSE-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Cc1cccc(NC(=O)Nc2cccc(C(C)C)c2)c1C	502667678	JYHJOXQVPGNYPH-UHFFFAOYSA-N	282.387	5.071	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@H](C)c2ccsc2)cc1	510926110	AXWZOKUPOLQZCV-QWHCGFSZSA-N	291.485	5.272	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccoc1	532218050	SUHDDQAYVLWRPT-SCLBCKFNSA-N	287.378	5.001	0	20	CKAD	
CC[C@@H](NC1CCC(F)(F)CC1)c1ccc(Cl)s1	536843878	GNCLESHVFKGLHA-SNVBAGLBSA-N	293.810	5.020	0	20	CKAD	
CC(F)(F)c1cccc(NCc2cscc2Cl)c1	681982950	CYFNOBVWFONWEH-UHFFFAOYSA-N	287.762	5.125	0	20	CKAD	
C[C@@H](SCc1cccnc1Cl)c1ccc(Cl)cc1	727055536	YZFSIZFUINUYOB-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
C[C@H](CCC1CC1)Nc1cccc(C2SCCS2)c1	769409003	IJEWHPVNVLFYDZ-GFCCVEGCSA-N	293.501	5.156	0	20	CKAD	
Cc1cccc(N[C@H](C)c2ccccc2C(F)(F)F)c1	21809467	LPKILJFOKRNHJF-GFCCVEGCSA-N	279.305	5.187	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccc(Cl)cc1	42328790	PLCBVRJXRLWSSV-BDJLRTHQSA-N	291.847	5.203	0	20	CKAD	
CC[C@@H](NCc1c(Cl)cccc1Cl)c1ccccc1	50198448	RPMPARGSUJFSPQ-MRXNPFEDSA-N	294.225	5.234	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1	421513627	XYLWCUHDJDVCMD-GVDBMIGSSA-N	299.458	5.137	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](CC(F)F)c2ccccc2)cc1	421891172	YMPJHFKSMFWMGP-WMLDXEAASA-N	289.369	5.042	0	20	CKAD	
C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccsc1	482460532	QBJXTPGLDIKYII-SJCJKPOMSA-N	289.419	5.079	0	20	CKAD	
Cc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)s1	505854959	MNBZOTPKSLXXLP-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@H](c2ncccc2C)C(C)C)c1	532501153	NGEAMODRRGBLPJ-MJGOQNOKSA-N	296.458	5.055	0	20	CKAD	
C(=C/c1nc2c(ccc3ccccc32)s1)\c1nccs1	592422925	IRNBUFUXZJRPBE-BQYQJAHWSA-N	294.404	5.076	0	20	CKAD	
Cc1noc([C@H](C)S[C@@H](C)c2ccc3ccccc3c2)n1	604058145	JAYRBPOLPHQGBT-RYUDHWBXSA-N	298.411	5.087	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)s2)cc1	36992290	WPDICFIULVHXHZ-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
CC[C@H](NCc1c(Cl)cccc1Cl)c1ccccc1	50198446	RPMPARGSUJFSPQ-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
CC(C)CCNC(=O)Nc1c(C(C)C)cccc1C(C)C	58829215	FSGNMNVNAGBCST-UHFFFAOYSA-N	290.451	5.101	0	20	CKAD	
c1ccc(N2c3ccccc3Nc3ccccc32)cc1	115697891	JGGSOWGJMBNDHS-UHFFFAOYSA-N	258.324	5.213	0	20	CKAD	
CC[C@@H](N[C@H](C)c1csc(C)c1)c1cccc(Cl)c1	381327311	AIGZEMQYDXCPQU-MLGOLLRUSA-N	293.863	5.512	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1CCC[C@@H](C)C1	504351094	WHUIULPBENAKKY-GDBMZVCRSA-N	287.447	5.273	0	20	CKAD	
Cc1cccc([C@@H](N[C@H](C)c2cc(C)ccn2)C(C)(C)C)c1	519441311	OCPXWJPHPJDJAO-VQIMIIECSA-N	296.458	5.136	0	20	CKAD	
Cc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1ccoc1	531972753	GUOZHTCMWXPAOE-CRAIPNDOSA-N	271.404	5.026	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)(F)F)cc1)c1cccs1	556222387	TXFZRLBNGTVMFO-AWEZNQCLSA-N	295.398	5.101	0	20	CKAD	
C[C@H](Sc1cccc2cccnc12)c1ccccc1F	613962365	MTIWRBUNEBBAJG-LBPRGKRZSA-N	283.371	5.227	0	20	CKAD	
CC[C@H](NCc1ccccc1Cl)c1ccc(Cl)cc1	21515276	WCCKLMWFXYNFHW-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2ccccc21)c1ccc(Cl)s1	35286157	RKWJKVJVUKJJTH-RISCZKNCSA-N	291.847	5.130	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(SC)cc1)c1ccccc1	36994432	NPNFXTXHRZGOMS-KSSFIOAISA-N	285.456	5.210	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2cccs2)C2CC2)c(C)c1	42331329	RIKWPVHJIISIID-KDOFPFPSSA-N	285.456	5.167	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1Cl)c1cc(F)cc(F)c1	94826181	FRBGPAVVPHCYQX-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
c1ccc(Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1	168171353	DWOMBPYCHOPPQS-UHFFFAOYSA-N	295.385	6.250	0	20	CKAD	
Cc1sccc1CN[C@H](C)c1cccc2ccccc12	312665471	LCYIKJBVSDZGCM-CYBMUJFWSA-N	281.424	5.061	0	20	CKAD	
Cc1csc(CN[C@H](C)c2ccc(C(C)C)cc2)c1	379295524	XDQRCVKTYUAJIY-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@H](CC(C)C)c2ccccc2C)c1	467734232	QFLGOYCDSAHEBU-YLJYHZDGSA-N	296.458	5.136	0	20	CKAD	
Cc1ccc(-c2cccnc2)cc1N[C@H](C)c1ccccc1	479815241	DETBZDYGFFLQOJ-MRXNPFEDSA-N	288.394	5.230	0	20	CKAD	
COc1ccc([C@H](C)Nc2cccc(C)c2C)cc1Cl	507461583	UWYQCXAIKHCHKM-ZDUSSCGKSA-N	289.806	5.139	0	20	CKAD	
CC(C)(C)CCC(=O)Nc1cccc(C(F)F)c1Cl	542576304	PBLMEQLZWGOUQQ-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1ccco1)c1ccc(Cl)cc1F	543799882	WYSUYYLAWZBSRB-ZBEGNZNMSA-N	295.785	5.120	0	20	CKAD	
C[C@H](Nc1ccc(F)cc1)c1nc(-c2ccccc2)cs1	558030836	LONWTPNMHZMAPW-LBPRGKRZSA-N	298.386	5.122	0	20	CKAD	
CCCCCCC(=O)N1CCCCC[C@H]1c1ccc(C)o1	737750947	JVRHMVJTMDVLLM-INIZCTEOSA-N	291.435	5.002	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2ccc(C(C)(C)O)cc2)c1	863989264	NYCZTSXNSHHYMQ-OAHLLOKOSA-N	297.442	5.211	0	20	CKAD	
c1ccc2c(NCc3nc4ccccc4s3)cccc2c1	576862	VUDNKQWTGGXAFF-UHFFFAOYSA-N	290.391	5.062	0	20	CKAD	
CC(C)c1ccc([C@H](NCc2cccs2)C(C)C)cc1	61030608	GRBKLHBUJQNWNQ-GOSISDBHSA-N	287.472	5.358	0	20	CKAD	
FC(F)Oc1ccccc1NCc1cccc2ccccc12	314052322	HFEDLVYXWHQSJM-UHFFFAOYSA-N	299.320	5.053	0	20	CKAD	
Cc1cccc([C@H](C)[S@](=O)c2ccc3ccccc3c2)c1	475050763	ULLPOFHOSUSBMV-BTYIYWSLSA-N	294.419	5.017	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(-c3ccccc3)o2)oc1C	502686034	IYFSXOMMIJQGEY-CQSZACIVSA-N	295.382	5.007	0	20	CKAD	
CCCc1ccccc1NC(=O)C[C@H](CC)c1ccccc1	504323992	GJTDFYITMOCGRH-INIZCTEOSA-N	295.426	5.162	0	20	CKAD	
Clc1ccsc1CN[C@H](c1ccccc1)C1CCC1	549041856	WLSACSNNNQKQLW-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H]2CCC[C@@H](C)C2)c(Cl)c1	624062483	QPPMMHGQCVDALV-BXUZGUMPSA-N	293.838	5.112	0	20	CKAD	
CC(C)C[C@H](NCc1cc2ccccc2[nH]1)c1ccccc1	674048488	STNNINIDYAZCLB-FQEVSTJZSA-N	292.426	5.045	0	20	CKAD	
COc1ccc(N[C@H](C)c2ccc3ccccc3c2)cc1	20551036	AKHXTFSFLLCYTJ-CQSZACIVSA-N	277.367	5.022	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cccc(F)c1)c1ccccc1	20563421	LODGELSSKSCRKJ-KDOFPFPSSA-N	271.379	5.018	0	20	CKAD	
CC(C)C[C@@H](NCc1ccc(Cl)s1)c1ccccc1	35046710	NMFOPBACXRWGSO-OAHLLOKOSA-N	293.863	5.279	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1ccsc1	191541846	NFWKBNJPEYNKSI-UHFFFAOYSA-N	287.428	5.076	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1cccc(F)c1	191559859	QFOMVVBWXKBWRV-UHFFFAOYSA-N	299.389	5.154	0	20	CKAD	
Cc1csc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)c1	379123032	MNHJDUCUGAHENG-CQSZACIVSA-N	287.472	5.205	0	20	CKAD	
CCCC[C@H](CCC)Sc1nnc(-c2cccs2)o1	521624053	SQNGNQIUKLSQSQ-NSHDSACASA-N	296.461	5.249	0	20	CKAD	
CC[C@@H](Nc1cccc(CSC)c1)c1cccs1	537533494	LYUQNYDHAUHUKZ-CQSZACIVSA-N	277.458	5.174	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@H](C)c1cscn1	540835730	QERPFOSBQRPXID-SECBINFHSA-N	298.864	5.082	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccncc1)c1cccc2ccccc12	886790628	ILHAQALNRUPGFF-FOIQADDNSA-N	290.410	5.037	0	20	CKAD	
CC[C@@H](Nc1nc2ccccc2o1)c1ccc(Cl)cc1	29412015	ZYOVMZNWJUFSRK-CYBMUJFWSA-N	286.762	5.044	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1)c1cccc2ccccc12	314412758	WHYGJOMGSKSKBW-CABCVRRESA-N	293.385	5.391	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccsc1	394252470	DNJOSJWWCFWTNW-LIRRHRJNSA-N	295.451	5.703	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)c(C)o1	447525929	AHHYLXAUXKMZBD-LIRRHRJNSA-N	283.415	5.088	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](c2cccs2)C2CC2)c1C	480282215	YCZDPVZHMYTUHM-KDOFPFPSSA-N	285.456	5.167	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1ccc(C)o1)c1ccc(F)cc1F	484510876	ZQONZKWFDPNXET-MLGOLLRUSA-N	293.357	5.058	0	20	CKAD	
C[C@@H](SCc1ncc(C(C)(C)C)o1)c1ccccc1F	500261711	LLPKEPRXBTZFNQ-LLVKDONJSA-N	293.407	5.106	0	20	CKAD	
C[C@H](Sc1ccnc2ccccc12)c1ccccc1	518304602	CIXHMGDRLWPQBE-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
CCCC[C@@H](CCC)Sc1nnc(-c2ccoc2C)o1	519321348	LKITTZKWZUHWEY-GFCCVEGCSA-N	294.420	5.089	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)c1cccs1	532492250	KHQGWUSUTHESKA-KDOFPFPSSA-N	285.456	5.330	0	20	CKAD	
Cc1cccc([C@@H](N[C@@H](C)c2cnccc2C)C(C)(C)C)c1	536774302	WGZIHUBRQSSDEI-QFBILLFUSA-N	296.458	5.136	0	20	CKAD	
C[C@H]1C[C@H](N[C@@H](C)c2cc3ccccc3o2)c2ccccc21	569884050	KJXNSXZRXPKABF-DEYYWGMASA-N	291.394	5.332	0	20	CKAD	
CC(C)[C@@H](NCc1cscc1Cl)c1ccc(F)cc1	678869523	RDUMMQPHDVEYMW-OAHLLOKOSA-N	297.826	5.028	0	20	CKAD	
FC(F)Sc1ccc(NCCCCC(F)(F)F)cc1	751557545	RKIDYVWNJBTCFP-UHFFFAOYSA-N	299.308	5.146	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)c(C)s1	775634226	PSQKTSISOWHFPZ-OLZOCXBDSA-N	298.455	5.258	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cccc(Cl)c2Cl)c(C)o1	44729492	NXACBSDNYSWKKI-SNVBAGLBSA-N	298.213	5.054	0	20	CKAD	
CC[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1cccs1	129613716	XZPXSIITRFIGNT-WDEREUQCSA-N	297.876	5.191	0	20	CKAD	
Cc1cnc([C@H](C)N[C@H](C)c2cccc3ccccc23)s1	134901239	BJBQZSUTCPUPBD-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
C[C@H](Nc1ccccn1)c1ccc(Oc2ccccc2)cc1	303109361	KAJAAXNKMOBRST-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)c1ccco1)c1ccccc1	315926701	UVVJIWVBZLCJFX-ICSRJNTNSA-N	291.394	5.110	0	20	CKAD	
C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccccc1F	381444805	XEZLSTSAYNXCJX-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccccc1SC)c1cccs1	442787331	YEEMLTKFYKWRRB-TZMCWYRMSA-N	291.485	5.272	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2ccccc2C(C)(F)F)s1	453302245	YHWSWOTXLSQEQD-SNVBAGLBSA-N	296.386	5.045	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H](C)c2cccc(Cl)c2F)o1	478668013	BTWLKYIOWVSIRE-ZJUUUORDSA-N	299.798	5.331	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccc3ncsc3c2)c1	485806895	RGDJCBUEDXBLSH-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
FC(F)(F)CCCCSCCCCC1CCOCC1	510121365	WNKSENSDDOCCRS-UHFFFAOYSA-N	298.414	5.049	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(CC(C)C)c1)c1ccncc1	519440927	DTVUSTXLDVTBNP-OXJNMPFZSA-N	296.458	5.082	0	20	CKAD	
C[C@H](SCc1nc(C2CC2)cs1)c1ccc(F)cc1	544074954	HLGZVFDDMWURIU-JTQLQIEISA-N	293.432	5.154	0	20	CKAD	
C[C@@H](Nc1cccc2cc[nH]c12)c1ccc(F)c(Cl)c1	547484324	CKLJBXIUHMPEGV-SNVBAGLBSA-N	288.753	5.134	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1Cl)c1cc(F)ccc1F	21796034	JGYSBLOKJNBODN-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)s1	37070889	GRBVWXAFKAWJBU-CHWSQXEVSA-N	285.412	5.215	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccc(Cl)o1)c1ccccc1	37509395	NPHGZUBXRVMRBR-HNNXBMFYSA-N	291.822	5.200	0	20	CKAD	
CCC[C@@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C	109704439	NAHSWQIPJMHLGD-OAHLLOKOSA-N	289.463	5.698	0	20	CKAD	
CC(C)c1cccc(N[C@@H](c2cccnc2)C2CCC2)c1	481989998	KFVMNJSNLJNYIY-LJQANCHMSA-N	280.415	5.158	0	20	CKAD	
CC[C@@H](C)CCC(=O)Nc1ccccc1-c1cccs1	505997003	RKHNTIFEHOKYOW-CYBMUJFWSA-N	287.428	5.180	0	20	CKAD	
COCc1ccc(N[C@@H](CCC(C)C)c2ccoc2)cc1	796966645	IBGOUQDVEKBWKK-SFHVURJKSA-N	287.403	5.015	0	20	CKAD	
Cc1ccc(NC(=S)Nc2ccccc2C(C)C)cc1C	6966671	UISNGSFYMCCYKO-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1cccs1	36994703	KHGUHDHKLWBGSY-XJKSGUPXSA-N	273.445	5.186	0	20	CKAD	
CC(C)[C@@H](NCc1ccc(Cl)o1)c1ccc(Cl)cc1	37489539	MCKXYKYPASJABU-OAHLLOKOSA-N	298.213	5.073	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc3ccncc23)c(C)s1	131465305	ULTKSKLZENVSEP-LBPRGKRZSA-N	282.412	5.086	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1cccc(Cl)c1	163218617	COUCXASHYXOTRT-QWRGUYRKSA-N	293.760	5.112	0	20	CKAD	
C[C@H](N[C@H](C)CCCC(F)(F)F)c1cc2ccccc2o1	163306070	NEDMAJINAAHLJO-NEPJUHHUSA-N	299.336	5.205	0	20	CKAD	
Cc1c([C@H](C)Nc2cccc3ccccc23)cnn1C(C)C	191466457	ACXCUAQZXOCQSQ-AWEZNQCLSA-N	293.414	5.099	0	20	CKAD	
C/C(=C\C(=O)Nc1c(C)cccc1C(C)C)C(C)(C)C	253460342	HLFHANBXBNFYGI-SDNWHVSQSA-N	273.420	5.049	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(OC(C)C)c1)c1ccccc1	302987660	WSRYOSUBCDUACH-UZLBHIALSA-N	297.442	5.276	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2c(F)cccc2Cl)c(C)o1	380279608	BNKRMYGDWXWFDQ-WDEREUQCSA-N	295.785	5.101	0	20	CKAD	
Cc1nc(CNc2cccc(-c3ccccc3)c2)c(C)s1	431110718	IJADOYADSCOKSX-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2csc3ccccc23)cs1	477258105	IXUYLEWDMRIZMJ-JTQLQIEISA-N	289.425	5.122	0	20	CKAD	
CCCc1ccc([C@H](N[C@@H](C)c2ccncc2)C(C)C)cc1	507633886	GFWQFKDUBXFEBK-OXJNMPFZSA-N	296.458	5.082	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1CC(C)(C)C1	507768039	SJUQHYSKJYNDJQ-UHFFFAOYSA-N	287.447	5.308	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2cc(C)ccc2C)c1	537533609	OONPUONZEGAURI-JKSUJKDBSA-N	283.415	5.184	0	20	CKAD	
FC(F)(F)c1ccccc1CSc1cccs1	604931376	ABVJZIUZLLWYLL-UHFFFAOYSA-N	274.332	5.059	0	20	CKAD	
CC(C)n1ccc(CS[C@@H](C)c2ccc(Cl)cc2)n1	609722127	FMZHDQOKLKRNDT-LBPRGKRZSA-N	294.851	5.112	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2cccnc2Cl)cc1	776792791	QYPCPKYGLYVNPU-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
Cc1cccc(NC(=O)c2sccc2C(C)C)c1Cl	73345497	ZSLUOMNBYUALEQ-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccsc1)c1ccc(C2CC2)cc1	417351855	DQCMLBYWOMOQNO-CHWSQXEVSA-N	271.429	5.037	0	20	CKAD	
Cc1ccoc1CN[C@@H](CC(C)C)c1ccc(Cl)cc1	462720363	XDQFKMYRWKMBML-INIZCTEOSA-N	291.822	5.118	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1csc(Cl)c1	468897450	JFXYAVOXBFKPJN-OTYXRUKQSA-N	297.876	5.265	0	20	CKAD	
Cc1nc(-c2cccc(N[C@H]3CCC34CCCC4)c2)oc1C	474059936	UEGDISIVGMCKFC-KRWDZBQOSA-N	296.414	5.093	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@@H](C)c2csc(Cl)c2)c1C	477922742	RQVMAEDJIUCFBT-ZJUUUORDSA-N	297.855	5.051	0	20	CKAD	
CC[C@@H](C)n1ncc(N[C@@H](C)c2cc3ccccc3o2)c1C	477924750	GTOCFCGRKSZGSF-OLZOCXBDSA-N	297.402	5.082	0	20	CKAD	
CC[C@H](NCc1ccc(C)cc1SC)c1cccs1	484624430	ZHPLZJPKAZDDFW-AWEZNQCLSA-N	291.485	5.019	0	20	CKAD	
C[C@@H](SCc1ccc2ccccc2n1)c1ccccc1F	509984270	UDXSKHJAVVZGMW-CYBMUJFWSA-N	297.398	5.368	0	20	CKAD	
Cc1ccc(-c2cc(CSc3cccs3)on2)cc1	521906590	OHACMUZFPRENGV-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
Cc1noc(C)c1CS[C@H](C)c1cccc2ccccc12	523493034	SQQZRTJMOJIFTQ-CQSZACIVSA-N	297.423	5.439	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)c2ccccc2Cl)s1	525212167	AGRCMCQHTGCIHL-JTQLQIEISA-N	297.876	5.408	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2C)C2CC2)s1	532511196	VAUQOAPHMASHCH-KBXCAEBGSA-N	285.456	5.167	0	20	CKAD	
C[C@@H](Nc1cccc2c1ccn2C)c1ccccc1Cl	588908416	CIMSALXQBZITDP-GFCCVEGCSA-N	284.790	5.005	0	20	CKAD	
Cc1cc(C(=O)Nc2ccccc2-c2cccs2)cs1	671650571	POGAPXDYWPBABB-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
FC(F)c1cccc(CNc2ccc(C3CC3)cc2)c1	684564681	QCOYBJGZKORYMK-UHFFFAOYSA-N	273.326	5.114	0	20	CKAD	
CC(C)(C)Sc1ccc(NC2CC(C(F)F)C2)cc1	768673513	ZFFJDFORYNKYIX-UHFFFAOYSA-N	285.403	5.033	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(Cl)c1)c1cccs1	20008950	CVIOHZDIBNIALL-BXUZGUMPSA-N	279.836	5.203	0	20	CKAD	
CC(C)=CC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C	303195460	WHKAAERFIXYLMA-UHFFFAOYSA-N	299.801	5.220	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2cccc3ccccc23)cc1F	303343845	PPJYCMXBUIDJPR-HNNXBMFYSA-N	293.385	5.138	0	20	CKAD	
Cc1cccc(Oc2ccccc2NC(=O)[C@H](C)C(C)C)c1	497530957	BQTBKWAOKWJWAL-OAHLLOKOSA-N	297.398	5.018	0	20	CKAD	
CSc1ccc(CNc2cccc(C(C)(F)F)c2)s1	514821029	YNRXOUVQYSRAMF-UHFFFAOYSA-N	299.411	5.194	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2ccc(Cl)cc2)c1	523651764	GEURIUYSMLTTIQ-QWHCGFSZSA-N	289.806	5.221	0	20	CKAD	
Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1Cl	525310714	UQHIKAJWZFBUHB-UHFFFAOYSA-N	295.769	5.054	0	20	CKAD	
C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1cc2ccccc2o1	539084429	UIDLVAYGAWBUOB-LAPQFRIASA-N	291.394	5.017	0	20	CKAD	
C[C@@H](SCc1ccc(Cl)nc1)c1ccccc1Cl	920391342	RLLWWGBFWZSJEE-SNVBAGLBSA-N	298.238	5.383	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccsc1)c1ccc(C)cc1	382129470	OIYAVVOXGIHZBX-DLBZAZTESA-N	273.445	5.249	0	20	CKAD	
Cc1nc(C)c([C@@H](C)Nc2cccc3ccsc23)s1	386403850	IHPKRFWIAITGAW-SNVBAGLBSA-N	288.441	5.148	0	20	CKAD	
CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1cc2ccccc2o1	437098725	PEHKIAMNQZZJAI-WCQYABFASA-N	299.336	5.060	0	20	CKAD	
Cc1cncc([C@H](C)Nc2cccc(-c3cccs3)c2)c1	467737556	LOWNDFAVTIQZPA-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
Cc1ccccc1[C@@H](C)S[C@H](C)c1nc(C(C)C)no1	480387149	KVDXPIMPWHSYSM-CHWSQXEVSA-N	290.432	5.057	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC1CCCC1	510218641	SVHHNSAFSRQGSY-HNNXBMFYSA-N	287.447	5.273	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](C)c1c(F)cccc1Cl	536878146	PXWLTHRKUCIONI-QWRGUYRKSA-N	297.826	5.261	0	20	CKAD	
CCC[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccnc1	542697659	VKQHHOACOAKVBI-OAHLLOKOSA-N	294.320	5.054	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1cccc(C2CC2)c1	563825112	GHBWOCXLMPFVRD-QWHCGFSZSA-N	271.429	5.037	0	20	CKAD	
c1csc([C@H](NCc2ccc3ccccc3c2)C2CC2)c1	642973539	WQUIQTKXTDOKSQ-LJQANCHMSA-N	293.435	5.142	0	20	CKAD	
C[C@H](Nc1cccc(COc2ccccc2)c1)c1ccoc1	776861523	KBCKYGCUQSDRKG-HNNXBMFYSA-N	293.366	5.032	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(C)s1)c1ccsc1	785562633	HSYCJCNVIKIGMI-GXTWGEPZSA-N	279.474	5.310	0	20	CKAD	
C[C@@H](Sc1ccnc2ccccc12)c1cccc(F)c1	111216849	XNQAUKVXTCEDFE-GFCCVEGCSA-N	283.371	5.227	0	20	CKAD	
C[C@H](NCCCCC(F)(F)F)c1cccc2ccccc12	127227113	RMFMJRBFOSQDHX-ZDUSSCGKSA-N	295.348	5.223	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)cc1	314587002	QFSQNACMXDELCU-SJORKVTESA-N	289.422	5.560	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1ccco1)C(C)(C)C	484295225	UXHGBKTXFJDOFS-RHSMWYFYSA-N	271.404	5.026	0	20	CKAD	
Cc1cccc(NC(=O)CC/C=C\c2ccccc2)c1Cl	525822538	FGKJDVGBGJZJNC-WZUFQYTHSA-N	299.801	5.081	0	20	CKAD	
C[C@@H](C(=O)Nc1cccc(Nc2ccccc2)c1)C(C)(C)C	604331493	PKPFJNDRBZAVGE-AWEZNQCLSA-N	296.414	5.051	0	20	CKAD	
CC(C)(C)[C@H](NCc1cc2ccccc2[nH]1)c1ccccc1	683926998	FTPGDSPCFIMGIO-LJQANCHMSA-N	292.426	5.045	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2csc3ccccc23)s1	776168013	IZMBNWJFDZAFSY-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccc(Cl)nc2)cc1	776792019	NRTLIOXAFAHBJB-LBPRGKRZSA-N	274.795	5.032	0	20	CKAD	
Cc1nc(CS[C@@H](C)c2ccc(Cl)cc2)cs1	109370109	XKFZSBITXYRPOH-VIFPVBQESA-N	283.849	5.099	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc(C)sc2C)cs1	381487960	PHMHDHCKUMNDQV-RYUDHWBXSA-N	279.474	5.147	0	20	CKAD	
CC[C@@H](NCc1cscc1C)c1cccc(Cl)c1F	494481446	AFKNLJYWXJQWPF-CQSZACIVSA-N	297.826	5.090	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1cc(F)ccc1F)c1cccs1	539089492	SQEXDVRBXAZEQA-GJZGRUSLSA-N	295.398	5.218	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](C)c1c(C)cccc1C	574681035	HXIHKINRUUHXIB-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
CCc1ccc(N[C@H](C)c2ccc(C(F)F)nc2)cc1C	657951795	BOVLHCVORVAYML-GFCCVEGCSA-N	290.357	5.063	0	20	CKAD	
C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(Cl)cc1	19992617	HDLNZHQEFGYVJU-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
FC(F)(F)c1cccc(-c2csc(-c3ccco3)n2)c1	25204467	QASQHSNLDGUZRD-UHFFFAOYSA-N	295.285	5.089	0	20	CKAD	
CC[C@@H](NCc1csc2ccccc12)c1cccs1	48417133	PPICAZGWYVIEJV-CQSZACIVSA-N	287.453	5.204	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2oc3ccccc3c2C)oc1C	502371506	HXFGBDKHCWWGGI-UONOGXRCSA-N	297.398	5.363	0	20	CKAD	
Cc1sc([C@H](O)c2ccccc2)c(C)c1-c1ccccc1	514284626	CDARINMICOIKAV-GOSISDBHSA-N	294.419	5.114	0	20	CKAD	
CSCc1cccc(N[C@H](C)c2sccc2C)c1	538633985	PCZFHDPIRKSNJU-GFCCVEGCSA-N	277.458	5.093	0	20	CKAD	
Cc1ccc(NC(=O)CC/C=C/c2ccccc2)c(Cl)c1	606156837	FJRZOOTTXLGSIZ-WEVVVXLNSA-N	299.801	5.081	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1(F)CCCC1	772315330	FHIZXBJBCZGPOF-UHFFFAOYSA-N	291.410	5.154	0	20	CKAD	
CC[C@@H](C)[C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1	7609977	VVESPXIWZCYHJN-AUUYWEPGSA-N	295.426	5.072	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	21514321	LOEWNPRXKOYMAD-LBPRGKRZSA-N	279.305	5.187	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccccc1F	37764676	DPIAIQHPEQBVOE-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
CCCc1ccc([C@H](N[C@@H](C)c2ccccn2)C(C)C)cc1	236921942	YFHLFKZIJDVYLF-OXJNMPFZSA-N	296.458	5.082	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(OC(C)C)cc2)cs1	381647256	XZUCBHPFEHMHHR-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
C[C@@H](CC1CCCCC1)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	527021325	CSZILZVXXJUENU-JVPBZIDWSA-N	297.442	5.011	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H]2CCCc3cc(F)ccc32)c1	539735402	YYMDRIFVPNRBSK-DJJJIMSYSA-N	299.389	5.023	0	20	CKAD	
CCCCC[C@H](CC)C(=O)N1CCC[C@H]1c1ccsc1	775658856	DDJKVYPIYAWXIS-HOCLYGCPSA-N	293.476	5.018	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)C(C)C)s1	36967527	AQQOTHRVOGYMTG-YOEHRIQHSA-N	273.445	5.104	0	20	CKAD	
Cc1ccc(CN[C@@H](CCCC(C)C)c2ccccc2)cn1	346787980	BOFOQMIZYKLXEK-FQEVSTJZSA-N	296.458	5.047	0	20	CKAD	
CC[C@H](C)[C@@H](NCc1cccs1)c1ccc(Cl)cc1	462769786	ZJPAQRGULLEVKZ-BLLLJJGKSA-N	293.863	5.279	0	20	CKAD	
Cc1cccc(C)c1NC(=O)c1ccc(C2=CCCC2)cc1	463067278	MFZSROWHCVQUMG-UHFFFAOYSA-N	291.394	5.123	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)N(CC)CCC	471871930	NNGUOIVFFOLNBY-UHFFFAOYSA-N	290.451	5.026	0	20	CKAD	
Cc1csc(C(=O)Nc2cccc(C(C)C)c2)c1Cl	478290684	LCCDDWOQDFSTIH-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc2ncsc2c1	485824870	SZLKZXSHQSLUSE-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CC(C)[C@H](C)C(=O)N(c1ccccc1)[C@@H](C)c1ccccc1	497829986	ASDWRBNVYLZRLB-IRXDYDNUSA-N	295.426	5.073	0	20	CKAD	
CC(C)c1ccc(NC(=O)CC(C)(C)C)c(C(C)C)c1	512390773	HHOJMVCKWZOQKI-UHFFFAOYSA-N	275.436	5.308	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1cccc(CC(F)(F)F)c1	537538085	XPQKFWBKXSIYLV-LLVKDONJSA-N	299.361	5.334	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](Nc1ccc(COC(C)C)cc1)CC2	558057980	VARZNJWQTIUTIU-FQEVSTJZSA-N	295.426	5.019	0	20	CKAD	
CC[C@H](NC1(c2ccc(Cl)cc2)CC1)c1cccs1	561839645	NVTRXTSDILIECS-AWEZNQCLSA-N	291.847	5.132	0	20	CKAD	
Cc1cc(Cl)ccc1N[C@@H](C)c1ccc(C(F)F)nc1	657954094	FDBIKQHCWWMGSB-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
CC[C@H](C)CCCCC(=O)N1CCC[C@H]1c1cccs1	680019199	YPSPEUSIGIPSTM-GJZGRUSLSA-N	293.476	5.018	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C1CCCCCCC1	741514240	OEHQABMHCZXQBZ-UHFFFAOYSA-N	287.447	5.417	0	20	CKAD	
FC(F)(F)c1cc(-c2ccccc2)ccc1Cl	59712717	YXXOCGXTHWMWMT-UHFFFAOYSA-N	256.654	5.026	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](c1ccccc1)c1ccco1	70091046	IHIGFIHEDADALN-RHSMWYFYSA-N	297.423	5.090	0	20	CKAD	
CCC[C@@H](N[C@H](C)CCCC(F)(F)F)c1ccsc1	426043283	NQSNXEYWKRDEPH-DGCLKSJQSA-N	293.398	5.300	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2cccs2)C2CC2)cc1C	480223513	DCUQRVQNIBLRMX-KDOFPFPSSA-N	285.456	5.167	0	20	CKAD	
C[C@@H](SCc1nc(C2CC2)cs1)c1cccc(F)c1	542224536	DLSHPBHSJHNNKE-SNVBAGLBSA-N	293.432	5.154	0	20	CKAD	
C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(C2CC2)c1	551013491	CJYNSGBHQCNPPQ-RBZFPXEDSA-N	295.401	5.041	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H]2CCc3c(Cl)cccc32)o1	552302776	IEAOJUMLBRKIFP-YGRLFVJLSA-N	293.819	5.118	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)c3ccccc23)o1	559736819	ULXQCEAFRULZOZ-KGLIPLIRSA-N	297.373	5.292	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2csc3ccccc23)cc1	730019876	UJYCCYMZEHYIOU-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCC[C@@H](Nc1ccc(OC(C)C)c(C)c1)c1cccnc1	757611125	IWIJAXMNFUBHEG-GOSISDBHSA-N	298.430	5.131	0	20	CKAD	
CCC(CC)(CC)[S@](=O)[C@@H]1CCc2cc(Cl)ccc21	794818224	RQRDYKLRZGLWJG-DNVCBOLYSA-N	298.879	5.045	0	20	CKAD	
C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(F)c(Cl)c1	21020368	GFKRMPOQYWRQLE-SNVBAGLBSA-N	288.753	5.134	0	20	CKAD	
CSc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1	35011406	PNVLFXBBQNZJLE-CYBMUJFWSA-N	297.423	5.006	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)c(C)s1	37075047	IRKMGFGVYYFPSV-ACJLOTCBSA-N	285.456	5.167	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc3ccccc3c2)cs1	381683981	DMKMIXKSWRJRQZ-ZDUSSCGKSA-N	267.397	5.383	0	20	CKAD	
FC(F)(F)Cc1ccc(NCc2cccc(Cl)c2)cc1	462726539	RDLWNNGFHYKKSC-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
CCc1ccc([C@H](N[C@@H](C)c2cc(C)ccn2)C(C)C)cc1	514104586	KYIIBFOOUHBVLP-OXJNMPFZSA-N	296.458	5.000	0	20	CKAD	
CC(C)C[C@H](N[C@H]1CCCC(F)(F)C1)c1cccs1	540156405	OUHPXCCYYBOODS-STQMWFEESA-N	287.419	5.003	0	20	CKAD	
C[C@@H](NCCC(F)(F)F)c1ccc(-c2cccs2)cc1	540187166	UIKLGEGIUOXEMA-LLVKDONJSA-N	299.361	5.018	0	20	CKAD	
CCCCCC[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1	726080985	XQHLGCFMJLMDBK-GFCCVEGCSA-N	298.377	5.105	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C(C)=C1CCC1	830837951	DDECPDGSXDIVGW-UHFFFAOYSA-N	285.431	5.201	0	20	CKAD	
CC[C@@H](NCc1ccc(C(F)F)cc1)c1cccc(F)c1	188472597	NHFMIMMYFVZURI-MRXNPFEDSA-N	293.332	5.004	0	20	CKAD	
CC[C@H](Nc1cc(Cl)c(N)c(Cl)c1)c1ccccc1	303536758	SKGGSLKVNJQJHX-AWEZNQCLSA-N	295.213	5.139	0	20	CKAD	
CCCCN(CCCC)C(=O)Nc1cccc(C)c1Cl	525312790	GYQBYLQMJMDHJG-UHFFFAOYSA-N	296.842	5.083	0	20	CKAD	
Cc1c([C@@H](C)NC2(c3ccccc3)CC2)oc2ccccc12	538523940	UIAHULPAAICIIO-OAHLLOKOSA-N	291.394	5.081	0	20	CKAD	
C[C@H](N[C@@H](C)c1csc2ccccc12)c1ccc(F)cc1	732918543	MMYVNVVZQQVBPZ-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
CCC(CC)(CC)S[C@H](C)C(=O)Nc1ccccc1C	762970819	XCZPHYAAPRHTLX-CQSZACIVSA-N	293.476	5.024	0	20	CKAD	
Cc1ccc(C)c(CSCc2ncc(C(C)(C)C)o2)c1	61021357	FDHMQYAKGLZKFJ-UHFFFAOYSA-N	289.444	5.022	0	20	CKAD	
CC[C@@H](N[C@H](c1cccs1)C1CC1)c1cccc(F)c1	446748310	NKYYOIARBBQOHZ-WBVHZDCISA-N	289.419	5.079	0	20	CKAD	
CCCN1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1	471182580	MMRSQOQBXQHPSF-INIZCTEOSA-N	298.430	5.012	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](CC(C)C)c2cccs2)o1	537991737	PIEOUMVFFSHTKO-KGLIPLIRSA-N	277.433	5.088	0	20	CKAD	
C[C@H](NC1(c2ccccc2)CCC1)c1ccc(Cl)s1	539667632	IHMMPXIWHQHOSL-LBPRGKRZSA-N	291.847	5.132	0	20	CKAD	
Cc1ccccc1N(C(=O)c1cc(C(C)C)oc1C)C(C)C	558102942	ACABBDBVPZPEQG-UHFFFAOYSA-N	299.414	5.075	0	20	CKAD	
CSc1ccc(N[C@@H](C)c2ccc(Cl)s2)cc1	35285736	BYAZGMJDTUVGKJ-VIFPVBQESA-N	283.849	5.297	0	20	CKAD	
CC[C@H](C)NC(=S)Nc1c(C(C)C)cccc1C(C)C	44050918	FKBKZIPCHIDLRI-ZDUSSCGKSA-N	292.492	5.018	0	20	CKAD	
C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)c1ccoc1	94868693	RHLOFRZOVJTTNS-PBHICJAKSA-N	271.404	5.108	0	20	CKAD	
CC[C@@H](Nc1cc(F)cc(Cl)c1)c1ccsc1	382148519	RWJDTBKVCOXXNN-CYBMUJFWSA-N	269.772	5.104	0	20	CKAD	
CCCC[C@@H](C)C(=O)Nc1c(CCC)cccc1C(C)C	409962493	RHZGNJLIMJIRCV-OAHLLOKOSA-N	289.463	5.527	0	20	CKAD	
CC(F)(F)c1cccc(NC2CCC(C(F)F)CC2)c1	442861789	YNJNTXALPSTTTB-UHFFFAOYSA-N	289.316	5.034	0	20	CKAD	
O=C(CCC1CC1)Nc1ccc(Cl)cc1-c1ccccc1	468286440	DXSONKSEIJHDNY-UHFFFAOYSA-N	299.801	5.136	0	20	CKAD	
O=C(Nc1ccccc1-c1cccs1)C1=CCCCCC1	481326329	XNZFDXFSDXBCDB-UHFFFAOYSA-N	297.423	5.244	0	20	CKAD	
CC[C@@H](C)c1ccc([C@H](C)N[C@@H](C)c2nccs2)cc1	527908324	KYHRTRXYTJBEAD-RDBSUJKOSA-N	288.460	5.068	0	20	CKAD	
Cc1cccc(N[C@H](C)c2nc(-c3ccccc3)cs2)c1	539611331	FNZAXOZHUUDPSY-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
CSCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2)cc1	540835761	QVCCRMLEQCTYQG-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
C[C@@H]1C[C@H](N[C@H](c2cccs2)C2CC2)c2ccccc21	564125196	TYOVHDJYENOVQM-PUECVXPYSA-N	283.440	5.037	0	20	CKAD	
CC[C@@H](C)Oc1cccc(N[C@H](C)c2ccc(C)nc2C)c1	679011253	SKNAUMZAEHLYJM-GDBMZVCRSA-N	298.430	5.049	0	20	CKAD	
CCC[C@@H](NCc1ccoc1)c1ccc(Cl)c(Cl)c1	733331851	JUCVLLPOFBGMDJ-OAHLLOKOSA-N	298.213	5.217	0	20	CKAD	
Clc1cccc(CS[C@@H]2CCCc3ccccc32)n1	743453685	ISGRFEZKCUYRFN-OAHLLOKOSA-N	289.831	5.046	0	20	CKAD	
CC(C)c1ccc([C@@H](C)Sc2ccc(Cl)nn2)cc1	783895484	JLVXQMCEPUUIMX-LLVKDONJSA-N	292.835	5.107	0	20	CKAD	
CC[C@H]1CC[C@H](c2ccccc2Br)CC1	1857776351	BFGXQGJYZPJXET-HAQNSBGRSA-N	267.210	5.133	0	20	CKAD	
CCc1cccc(NC(=S)Nc2ccc(C(C)C)cc2)c1	6944304	JJLJTCMYVDIFNH-UHFFFAOYSA-N	298.455	5.181	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3o2)c(C)s1	37070842	QGMKNZYXVZCYCA-QWHCGFSZSA-N	299.439	5.523	0	20	CKAD	
Cc1ccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1	37119019	FMCSCRYVQHSCTA-SFHVURJKSA-N	285.406	5.011	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@@H](C)c1cccs1	37780612	LKZFVQJONRVZGD-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sc(Cl)cc21)c1ccsc1	128271977	ZWCLBYYGNINIFZ-BXKDBHETSA-N	297.876	5.191	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1ccccc1SC1CCCC1	303483657	JNKNHGXYVQSBMK-ZDUSSCGKSA-N	291.460	5.096	0	20	CKAD	
FCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1	461529386	LQQLARLRZLIZDK-UHFFFAOYSA-N	299.370	5.070	0	20	CKAD	
c1cc(NCc2cccc3cccnc23)cc(C2CCC2)c1	461727470	PCKVTCAYLAWKSJ-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
CC[C@H](C)[C@H](NCc1ccsc1)c1ccc(Cl)cc1	462761962	JIHDGQUSWJITMR-LRDDRELGSA-N	293.863	5.279	0	20	CKAD	
C[C@@H](SCc1cccc(C(F)F)c1)c1cccnc1	574432385	SCVSODYLOVFRHM-LLVKDONJSA-N	279.355	5.014	0	20	CKAD	
CC[C@H](CC(=O)Nc1cccc(C)c1C)c1ccc(C)cc1	606157105	MLOADQMCTHQECQ-QGZVFWFLSA-N	295.426	5.134	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H](C)CC(C)(C)C)c(C)c1	612923801	JUNFMFAXLQKPDQ-ZDUSSCGKSA-N	275.436	5.013	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1ccc(C)s1)c1ccsc1	785562644	HSYCJCNVIKIGMI-JSGCOSHPSA-N	279.474	5.310	0	20	CKAD	
COCc1cccc(N[C@@H](C)c2ccc3ccccc3c2)c1	97393478	ZNWREOCPNOABNX-HNNXBMFYSA-N	291.394	5.159	0	20	CKAD	
CCC[C@@H](N[C@@H](CC)c1ccsc1)c1ccccc1	394351565	NLZVBNNHKHVZPU-DLBZAZTESA-N	273.445	5.330	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc(OC(C)C)cc2C)cs1	394501966	QZDLDXBRAVEGMQ-CQSZACIVSA-N	289.444	5.325	0	20	CKAD	
C[C@@H](c1cccc(Cl)c1)N(C)CCCCC(F)(F)F	443636064	BCKODHWVHMYIPO-NSHDSACASA-N	293.760	5.065	0	20	CKAD	
Cc1coc(S[C@H](C)c2ccc(Cl)c(Cl)c2)n1	478726369	XRFUDDPRKJEJSH-MRVPVSSYSA-N	288.199	5.143	0	20	CKAD	
C[C@H](S[C@@H](C)c1cccc(Cl)c1)c1cccnc1	520279894	CCVNYFKIMUJBRX-RYUDHWBXSA-N	277.820	5.290	0	20	CKAD	
C[C@H](Sc1cccs1)c1ccccc1Cl	604931085	DSPPYFORQFRXCA-VIFPVBQESA-N	254.807	5.255	0	20	CKAD	
CC[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376062	DCDHLVYIWJXVCQ-PMACEKPBSA-N	297.417	5.408	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2csc3ccccc23)cc1C	730019122	GFPWVVVJTMUAEC-HNNXBMFYSA-N	295.451	5.369	0	20	CKAD	
CC(C)c1ccc(SCc2ncc(C(C)C)o2)cc1	733207483	HPZJEWDBVUZEHP-UHFFFAOYSA-N	275.417	5.214	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1ccccn1)c1ccccc1	37218919	LLOYMUWLYWOUJF-LPHOPBHVSA-N	282.431	5.054	0	20	CKAD	
CC(C)c1ccc(CN[C@H](c2cccs2)C2CC2)cc1	44298136	JFOJYLQVNNBHBK-SFHVURJKSA-N	285.456	5.112	0	20	CKAD	
c1ccc(C2(NCc3ccc4ccccc4c3)CCC2)cc1	65275715	JEMLOCFRMZADIZ-UHFFFAOYSA-N	287.406	5.009	0	20	CKAD	
Cc1ccc(N(c2ccccc2)c2ccc(C)cc2C)cc1	91301437	AKPKRGCTFSWQPK-UHFFFAOYSA-N	287.406	6.082	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3s2)c(C)o1	126527511	PDMRSGRXBNTEDB-CHWSQXEVSA-N	299.439	5.523	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)[C@H](C)CC	472673896	YVPULCVGDRHNJT-HUUCEWRRSA-N	289.463	5.383	0	20	CKAD	
CC[C@H](S[C@@H](C)c1ncc(C)o1)c1ccc(F)cc1	537749197	YLWZCQOOFFVTGK-FZMZJTMJSA-N	279.380	5.068	0	20	CKAD	
C[C@@H](SCc1nc(C2CC2)cs1)c1ccc(F)cc1	544074955	HLGZVFDDMWURIU-SNVBAGLBSA-N	293.432	5.154	0	20	CKAD	
Cc1cnc([C@H](C)SCCc2ccc3ccccc3c2)o1	552303163	SBYWYFXCHCOBSI-AWEZNQCLSA-N	297.423	5.173	0	20	CKAD	
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccsc1	679062893	JCLWFVOHLQFBIC-CYBMUJFWSA-N	289.444	5.236	0	20	CKAD	
CC[C@H](Nc1ccc(OC(C)C)cc1)c1ccccc1	20472924	JTOQCZLBBRLZTF-SFHVURJKSA-N	269.388	5.037	0	20	CKAD	
C[C@@H](Nc1nc2ccccc2o1)c1cccc2ccccc12	29334035	GEJITVHOWBICQR-CYBMUJFWSA-N	288.350	5.154	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1)c1ccccc1Cl	386191192	PZYCPMNQXOARFH-JTQLQIEISA-N	281.733	5.451	0	20	CKAD	
CCC[C@@H](N[C@H](c1cccs1)C1CC1)c1ccsc1	443093281	YLAJLKRDWWUWKD-ZBFHGGJFSA-N	291.485	5.392	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2sccc2C)c1	482653704	YZZOAPSSGMJWDU-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
Cc1nc(CS[C@H](C)c2ccc(F)c(F)c2)sc1C	531037656	GGZLCWYGXDKGKP-SNVBAGLBSA-N	299.411	5.033	0	20	CKAD	
CCc1ccc([C@H](C)Nc2ccc(CC(F)(F)F)cc2)o1	538552518	REWBMTHYWHZJCU-NSHDSACASA-N	297.320	5.120	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(COC3CCCC3)cc2)o1	539653236	RCDUVPXXGLVXJF-OAHLLOKOSA-N	299.414	5.220	0	20	CKAD	
CC(C)=CCC[C@H](C)N[C@H](C)c1csc(C(C)C)n1	563291883	HXWQXWVYIGOHHC-UONOGXRCSA-N	280.481	5.052	0	20	CKAD	
CCCC(CCC)S[C@H]1CCO[C@@H](c2cccnc2)C1	600521814	VQQUCLHDRFYECU-DLBZAZTESA-N	293.476	5.004	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccoc1)c1ccc(-c2ccccc2)cc1	675722951	SRRRMUQEUVEZIX-HZPDHXFCSA-N	291.394	5.358	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](CC2CC2)c2ccccc2)s1	679046479	IVHPJSTYNGRRFX-RHSMWYFYSA-N	285.456	5.249	0	20	CKAD	
CCCCc1noc([C@@H](C)S[C@H](C)c2cccs2)n1	737405775	LQEOKLUKEOTIFD-GHMZBOCLSA-N	296.461	5.029	0	20	CKAD	
CCCCC[C@H](C)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	742696100	NLQHJGLRKMAVAS-WBAXXEDZSA-N	285.431	5.011	0	20	CKAD	
CC(C)=C(C)C(=O)Nc1c(C(C)C)cccc1C(C)C	751113914	FUFGTAZRACYENS-UHFFFAOYSA-N	273.420	5.228	0	20	CKAD	
c1cncc(Oc2ccccc2CSC2CCCC2)c1	64853875	DHPSRRWZOOSTML-UHFFFAOYSA-N	285.412	5.050	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(C(F)F)cc2)c(C)c1	131363915	LFMJXEVBJLUQAX-AWEZNQCLSA-N	289.369	5.092	0	20	CKAD	
C[C@H](CCCC(F)(F)F)NCc1cccc2ccccc12	163411820	YXXJCBHLNZCTEN-CYBMUJFWSA-N	295.348	5.051	0	20	CKAD	
COc1c(Cl)cccc1N[C@@H](C)c1cccc(Cl)c1	512903429	ZGKHOAFTTYJIBP-JTQLQIEISA-N	296.197	5.175	0	20	CKAD	
C[C@@H](SCc1cccc(C(F)(F)F)c1)c1cccnc1	567423118	BQDGZFVBFGJQBR-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
CCC/C=C\C(=O)Nc1ccc(SC(C)(C)C)cc1C	729358421	RMLZKYIOGDWFCW-HJWRWDBZSA-N	291.460	5.180	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1cccs1	21027196	AQMBRVVWXXTWGR-KBPBESRZSA-N	281.424	5.313	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)cc1	37070900	ORODHAIXWDVRNO-LSDHHAIUSA-N	279.383	5.153	0	20	CKAD	
CCC(CC)[C@H](NCc1ccsc1)c1ccccc1	37107720	NJIAKNRSOVGOAQ-KRWDZBQOSA-N	273.445	5.015	0	20	CKAD	
CC(C)(C)c1ncc(CNc2cccc3ccccc23)s1	62838768	HKDYOYWXTNQWOZ-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)co1	188613947	KOAXXWRMYWTABX-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
CC[C@@H](N[C@H](C)c1csc(C)c1)c1ccc(Cl)cc1	381374191	NKZFQIGPRUZTQD-MLGOLLRUSA-N	293.863	5.512	0	20	CKAD	
CC[C@H](c1ccccc1)[S@](=O)c1ccc2ccccc2c1	475048588	IDJSFYLPCSUGSD-TZIWHRDSSA-N	294.419	5.099	0	20	CKAD	
Cc1ccc([C@H](N[C@H](C)c2cc(C)c(C)o2)C2CC2)cc1	502391983	QQDFZHGAWSWPAE-KUHUBIRLSA-N	283.415	5.007	0	20	CKAD	
C[C@H](Nc1cccc(F)c1)c1cccc(-c2ccncc2)c1	539609704	ZWTYGCWXZOKDMN-AWEZNQCLSA-N	292.357	5.061	0	20	CKAD	
C[C@@H](Nc1cccc(F)c1)c1cccc(-c2ccncc2)c1	539609705	ZWTYGCWXZOKDMN-CQSZACIVSA-N	292.357	5.061	0	20	CKAD	
CCC[C@H](CC)NC(=O)N(c1ccccc1)c1ccccc1	542048183	ZDZQVGMFDATMNP-INIZCTEOSA-N	296.414	5.113	0	20	CKAD	
CC(C)C[C@@H](C)CC(=O)Nc1ccc(Cl)cc1Cl	589854170	TUAKMJDIJSAYEO-SNVBAGLBSA-N	288.218	5.004	0	20	CKAD	
CC[C@@H](SCc1cccc(Cl)n1)c1ccccc1	743248950	XUTQUOGXUGLOMX-CQSZACIVSA-N	277.820	5.120	0	20	CKAD	
FC(F)c1ccc(CSC2=Nc3ccccc3C2)cc1	763484189	IISJFFUAUJLGPE-UHFFFAOYSA-N	289.350	5.144	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCc1cc2ccccc2o1	766133434	VRSGMNWOIXHWNZ-UHFFFAOYSA-N	294.398	5.255	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccc2ccccc2n1	776786239	SOEIAIHXGFXFNT-OAHLLOKOSA-N	298.389	5.561	0	20	CKAD	
Cc1c([C@@H](C)Nc2nc3ccccc3o2)oc2ccccc12	84068160	WLRHHEUKYDBHIQ-GFCCVEGCSA-N	292.338	5.056	0	20	CKAD	
CC(C)(C)c1cc2ccc3cccc4ccc(c1)c2c34	113375348	AYMGBIYWAZRPJY-UHFFFAOYSA-N	258.364	5.882	0	20	CKAD	
Cc1cc(C)c(CN[C@H](C)c2cc3ccccc3o2)c(C)c1	315632367	YAZZGNSFWWTJBM-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cs1	381698053	GNIHVRBNRXRSOX-RYUDHWBXSA-N	279.836	5.122	0	20	CKAD	
CC[C@@H](Nc1ccc2ccccc2c1)c1ccsc1	382172327	WLQDEOWJZYCXMA-QGZVFWFLSA-N	267.397	5.465	0	20	CKAD	
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccccc1	674487487	RZIKPPUOWDDRTQ-OAHLLOKOSA-N	283.415	5.175	0	20	CKAD	
CC[C@@H](C)Oc1ccc(N[C@H](C)c2ccccc2)cc1	736347919	HOUWOBMCHXSPTL-HUUCEWRRSA-N	269.388	5.037	0	20	CKAD	
CC(C)C[C@@H](NCc1ccc(CF)cc1)c1cccs1	754296015	LXRGIANDBCTXJR-MRXNPFEDSA-N	291.435	5.095	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2c(C)cccc2C)cc1	916119197	PCGMOIWSTKYTOD-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
Cc1ccc([C@H](C)Nc2cccc(-c3csc(C)n3)c2)o1	37047264	DVJYQRKCVPKOOY-LBPRGKRZSA-N	298.411	5.193	0	20	CKAD	
Cc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1C	48501959	BARLZSPLHXBNCI-UVTDQMKNSA-N	283.758	5.182	0	20	CKAD	
Cc1cc(C)c([C@H](C)N[C@H](C)c2ccsc2)cc1C	61360904	IAPPHBQKONOBMP-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](c1ccccc1)C(C)C	70090606	UDSGLQZYBINJDK-HOCLYGCPSA-N	273.445	5.104	0	20	CKAD	
C/C=C(\CC)C(=O)Nc1c(C(C)C)cccc1C(C)C	188221668	NYKICKFZBIETMH-VGOFMYFVSA-N	273.420	5.228	0	20	CKAD	
C[C@@H](Sc1ccccc1F)c1ncc(-c2ccccc2)o1	303691366	MFNLSZSBWHCPGA-GFCCVEGCSA-N	299.370	5.334	0	20	CKAD	
CC[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1ccccc1	421880926	QUXUBWXFCIQQLF-SJORKVTESA-N	289.369	5.124	0	20	CKAD	
CC1=C(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CCC1	477547939	ABIIMNYINZQWCA-UHFFFAOYSA-N	295.382	5.002	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2cc(C)c(C)o2)cc1	502407353	YBJYZMVDYCTZMG-CHWSQXEVSA-N	289.444	5.030	0	20	CKAD	
O=C(CC1=CCCCC1)N1CCCCC[C@@H]1c1ccccc1	521596404	XXTSRPUCMHKVAE-LJQANCHMSA-N	297.442	5.021	0	20	CKAD	
C[C@@H](Nc1ccc(Cl)cc1)c1nccc2ccccc12	558506213	WGNANQIFJHYTRD-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
C[C@H](SCc1ccc(C(F)(F)F)cc1)c1ccncc1	619460492	QBZQRHYTENYTHB-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(C(F)F)nc1)C1CCCC1	658036251	ZNAVFZFAADRRQJ-DOMZBBRYSA-N	296.405	5.029	0	20	CKAD	
Cc1ccc2cc([C@H](C)N[C@H](C)c3ccsc3)oc2c1	669851091	UVBNXWSEYXGHGB-OLZOCXBDSA-N	285.412	5.215	0	20	CKAD	
CC/C=C(/C)C(=O)N(CCCC)[C@@H](CC)c1ccccc1	734106110	ODUKYZVSHNUIHD-XOQYZJNISA-N	287.447	5.123	0	20	CKAD	
Cc1ccc2cc(CNc3ccc(C)c(Cl)c3)ccc2n1	97861221	CKJDBAVXTRQNBR-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(O)c1)c1cc2ccccc2s1	126471152	PMNVZCRLLUDXLN-OLZOCXBDSA-N	297.423	5.019	0	20	CKAD	
CCCOc1cccc(NCc2ccc(C(F)F)cc2)c1	131330132	IXVJOFWMWWRUGR-UHFFFAOYSA-N	291.341	5.025	0	20	CKAD	
CC[C@H](N[C@H](C)c1csc(C)c1)c1ccc(Cl)cc1	381374193	NKZFQIGPRUZTQD-WBMJQRKESA-N	293.863	5.512	0	20	CKAD	
C[C@@H](Nc1cccc(C(C)(F)F)c1)c1cc(F)ccc1F	435941858	LJSRKEBJEBFMGW-SNVBAGLBSA-N	297.295	5.250	0	20	CKAD	
CCC[C@H](N[C@H](c1cccs1)C1CC1)c1ccsc1	443093280	YLAJLKRDWWUWKD-HOCLYGCPSA-N	291.485	5.392	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C1CCCC1)c1ccncc1	453094072	WVFHZURJQHHNAX-WOJBJXKFSA-N	294.442	5.054	0	20	CKAD	
C[C@@H](Nc1csc2ccccc12)c1ccc(Cl)cn1	480693663	MRPNTAZDVDQEMB-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](c1ccccc1)C1CCC1	482441672	ULYAEOUBCDMNQM-RHSMWYFYSA-N	285.456	5.249	0	20	CKAD	
CC(C)c1ccccc1NCc1cnc(-c2ccco2)s1	487290296	BWOKDGFPCBXWPH-UHFFFAOYSA-N	298.411	5.139	0	20	CKAD	
CC(C)c1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c1	515382193	DPUNZSLGYBJDEG-HNNXBMFYSA-N	296.414	5.035	0	20	CKAD	
CC(=O)c1cccc(N[C@H](C)c2cccc3ccccc23)c1	516836880	CLMZIFVRQZYFJW-CQSZACIVSA-N	289.378	5.216	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1)c1cccc(C2CC2)c1	556038673	QSKWDUAKHGKYTL-UONOGXRCSA-N	283.390	5.115	0	20	CKAD	
Cc1cccc(C)c1NC(=O)c1cc2cccc(C)c2s1	568793464	GBPAXJSKRIGTTM-UHFFFAOYSA-N	295.407	5.079	0	20	CKAD	
C[C@H](Nc1ccc(C2CCC2)cc1)c1cc2cnccc2o1	657994475	FGNQXLAXVVZPNU-ZDUSSCGKSA-N	292.382	5.268	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCC2	675302847	KXKNPOWSPUTJNL-MRXNPFEDSA-N	285.431	5.062	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(Cl)c2F)s1	775667448	RMXIMDFPVSPBNX-QWRGUYRKSA-N	297.826	5.261	0	20	CKAD	
COc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1Cl	20556799	JQISBMPZIYMLBN-SNVBAGLBSA-N	296.197	5.175	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2ccc(F)c(Cl)c2)cc1	21062080	BLQNLCQXCDKIEG-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
Cc1ccc(CCCC(=O)Nc2ccccc2C(C)C)cc1	75289188	GZJGRBWKMVSWDW-UHFFFAOYSA-N	295.426	5.080	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1ccsc1	453301800	XUTISPRBBGFELO-JTQLQIEISA-N	267.344	5.033	0	20	CKAD	
c1ccc2c3c(sc2c1)[C@H](NCc1ccsc1)CCC3	560909645	OXXMIGJLVCHWNP-OAHLLOKOSA-N	299.464	5.130	0	20	CKAD	
CC(C)(C)CCCC(=O)Nc1cccc(Cl)c1Cl	590883561	HPFIWTRUMNITLW-UHFFFAOYSA-N	288.218	5.148	0	20	CKAD	
c1cc2cc(CNc3ccc(C4CCC4)cc3)ccc2cn1	683776318	QEWUDLSTNAJGEE-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
C[C@H](SCc1cnc2ccccc2c1)c1cccs1	798368589	WSJNBZZAGMCWIF-LBPRGKRZSA-N	285.437	5.291	0	20	CKAD	
C(C=Cc1ccc(Nc2ccccc2)cc1)=Cc1ccccc1	1857776140	BXENLMYRENIBGM-UHFFFAOYSA-N	297.401	6.157	0	20	CKAD	
Cc1cc(C)c(NC(=O)c2ccc(CC(C)C)cc2)c(C)c1	32892359	DCPAPKLJSYYDJF-UHFFFAOYSA-N	295.426	5.063	0	20	CKAD	
CC[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cn1	131211584	JSPLLEJJNWAWLR-ZDUSSCGKSA-N	299.176	5.091	0	20	CKAD	
CCSCc1cccc(N[C@@H](C)c2ccccc2)c1	439596655	LXQRZDTXMIWMBY-AWEZNQCLSA-N	271.429	5.113	0	20	CKAD	
Cc1ccc(S[C@H](C)c2ncc(C(C)(C)C)o2)cc1	476504241	LDCXORDPLGIEHL-GFCCVEGCSA-N	275.417	5.134	0	20	CKAD	
CC[C@@H](N[C@@H](c1ncccc1C)C(C)C)c1ccc(C)cc1	483145875	QTOJMDZNMJTEDN-RTBURBONSA-N	296.458	5.136	0	20	CKAD	
CCOCc1cccc(N[C@H](C)c2cc(C)sc2C)c1	538549723	KLMBBYCRVIVCRI-CYBMUJFWSA-N	289.444	5.075	0	20	CKAD	
Cc1ccnc([C@H](C)Nc2cccc(C(F)F)c2Cl)c1	556890713	QROCNHNQSNUDBR-JTQLQIEISA-N	296.748	5.154	0	20	CKAD	
Cc1ccc(CN[C@H](CC(C)C)c2cccs2)cc1F	596644663	UEUOXJLCCGBQSD-MRXNPFEDSA-N	291.435	5.073	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1ccc(Cl)c(Cl)c1	19987417	RTYNCRUNKHSHJL-NEPJUHHUSA-N	294.225	5.405	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)o1	20553527	DNHLHLQJWPXGMI-LSDHHAIUSA-N	279.383	5.153	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1ccc(Cl)cc1	36960350	JCVVHRFLRBOURK-SWLSCSKDSA-N	277.795	5.043	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)ccc1C)c1cccs1	37103364	UKYFUIUOYURKMN-GOEBONIOSA-N	273.445	5.167	0	20	CKAD	
C[C@H](Nc1cccc(-c2nccs2)c1)c1cccc(F)c1	37778283	CXPCGIDGJIVIGY-LBPRGKRZSA-N	298.386	5.122	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cc2Cl)s1	49160966	ZJARQSUUXPSEMQ-GHMZBOCLSA-N	297.826	5.261	0	20	CKAD	
Cc1ccc2cc([C@@H](C)N[C@@H](C)c3ccccc3)oc2c1	425915487	HIWMSKKWTHFJJL-LSDHHAIUSA-N	279.383	5.153	0	20	CKAD	
CCCC(CCC)[S@](=O)[C@@H](C)c1cccc(Cl)c1	480006987	BQTKMRNYWLQEFL-KPZWWZAWSA-N	286.868	5.119	0	20	CKAD	
Cc1ccc(F)c(CN[C@H](C)c2cc3ccccc3s2)c1	604891396	CMPWSWJMCWODKH-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC12CC2	626629819	PVSBHTINSZEVLI-KRWDZBQOSA-N	299.458	5.281	0	20	CKAD	
O=C(C=C1CCCCC1)Nc1ccccc1-c1ccccc1	65771778	YMEBJLYDRIULLY-UHFFFAOYSA-N	291.394	5.183	0	20	CKAD	
CCc1ccccc1NC(=O)C[C@@H](c1ccccc1)C(C)C	96651351	LUDAROSEIFGZHH-GOSISDBHSA-N	295.426	5.017	0	20	CKAD	
CSc1cccc(N[C@H](CC(C)C)c2ccccn2)c1	182685199	QGNDMOIENGBOAL-QGZVFWFLSA-N	286.444	5.003	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1ccc(Cl)cc1	231635027	XKIQZWKZRBHDLY-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)c(C)o1	386768612	HEPVJUFLSYCEJA-ZIAGYGMSSA-N	297.398	5.363	0	20	CKAD	
CC[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(C)cc1	575007793	PJUQYJQBUOADNJ-QUCCMNQESA-N	295.426	5.062	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc2ccccc2c1)c1ccccc1	19878307	UITFXGRFVBIWDR-JKSUJKDBSA-N	275.395	5.252	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H](C)c2ccc(C)cc2)cc1	36994395	PBCWOPXIDMNWHA-GJZGRUSLSA-N	285.456	5.129	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)sc1C)c1ccccc1	37123037	RAYQUSRBBFVXGD-DYVFJYSZSA-N	273.445	5.167	0	20	CKAD	
C[C@@H](NCc1cc(-c2ccccc2)cs1)c1ccccc1	38030683	UVRVTHSNQHEWOU-OAHLLOKOSA-N	293.435	5.266	0	20	CKAD	
Cc1ccc(CNC2(c3ccccc3)CCCCC2)s1	506332454	SMCGBWYTVUYBCJ-UHFFFAOYSA-N	285.456	5.006	0	20	CKAD	
CC(C)(C)c1nc(CSCc2ccccc2F)cs1	515766016	FTQCAHMQMSNNDD-UHFFFAOYSA-N	295.448	5.013	0	20	CKAD	
C[C@H](CN[C@@H](C)c1cc2ccccc2o1)Cc1cccs1	540699724	CUCXNLOOHDUNHF-KBPBESRZSA-N	299.439	5.024	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@@H](C)c2cccc(C3CC3)c2)c1	556159421	GXICOFBRYFGQBJ-LSDHHAIUSA-N	295.426	5.445	0	20	CKAD	
CSCCc1ccccc1NCc1ccc(C2CC2)cc1	600857855	JEOTUEVQIYSRRA-UHFFFAOYSA-N	297.467	5.082	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H](C)c2ccccc2C)c(C)c1	604694472	WTTVVDGAAKHZOU-HNNXBMFYSA-N	295.426	5.053	0	20	CKAD	
Cc1ccccc1[C@H](SCc1ccon1)c1ccccc1	610136690	COBYTPXRPBBLHW-GOSISDBHSA-N	295.407	5.006	0	20	CKAD	
Cc1cc(C)cc(NCc2ccccc2CC(F)(F)F)c1	630061530	WUMDWKACICDZAL-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
c1ccc(Cc2nc(CSc3ccccc3)cs2)cc1	642358240	XMNYSRFFDUGHAG-UHFFFAOYSA-N	297.448	5.026	0	20	CKAD	
CC[C@H](Nc1cccc(SC)c1)c1cccs1	21802220	KZVMTPFABWUUEX-ZDUSSCGKSA-N	263.431	5.033	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H](C)c2ccc(C)s2)cc1	36994380	LMIYPBJVCFQEBG-CHWSQXEVSA-N	291.485	5.190	0	20	CKAD	
CCc1c([C@@H](C)N[C@@H](C)c2ccsc2)oc2ccccc12	61360689	DYYOTFFYPRABFY-QWHCGFSZSA-N	299.439	5.469	0	20	CKAD	
C[C@@H](NCc1cccc(C(F)F)c1)c1ccc(Cl)cc1	131755126	YFUGGZHIEFQBLC-LLVKDONJSA-N	295.760	5.128	0	20	CKAD	
CC(C)Sc1ccc([C@H](C)NCc2ccsc2)cc1	236637134	VOXOCBVBJHJOQG-ZDUSSCGKSA-N	291.485	5.099	0	20	CKAD	
CCc1cc(N[C@H](C)c2ncc(C(C)(C)C)o2)ccc1C	477184767	CPFLKZCJMZXUDG-CYBMUJFWSA-N	286.419	5.016	0	20	CKAD	
Cc1cscc1C(=O)Nc1cccc(-c2cccs2)c1	487727974	VYPIIJWVUWDBPF-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
Cc1cccc2c1CC[C@@H]2N[C@H](C)c1csc(Cl)c1	530329203	HOLGJOINIBEJSV-ABAIWWIYSA-N	291.847	5.048	0	20	CKAD	
FC(F)c1cccc(N[C@@H]2CCc3ccc(Cl)cc32)c1	541260000	YDYOXGTZGUQUFM-OAHLLOKOSA-N	293.744	5.377	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccoc1)c1ccc(Cl)cc1F	543799726	UOXLFIOEFDECKD-MEDUHNTESA-N	295.785	5.120	0	20	CKAD	
CCCCCCC(=O)N1CCCCC[C@@H]1c1ccc(C)o1	737750951	JVRHMVJTMDVLLM-MRXNPFEDSA-N	291.435	5.002	0	20	CKAD	
C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(Cl)cc1	19992614	HDLNZHQEFGYVJU-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](c2cccs2)C2CC2)c(C)s1	42330866	XUJSUVSBVNQCIN-BDJLRTHQSA-N	291.485	5.228	0	20	CKAD	
Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1	60020604	KBMBCCLMZZUHSK-UHFFFAOYSA-N	288.561	5.021	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1cccc(CSC(C)C)c1C	304054100	PFWDUYCKAGQNFV-ZDUSSCGKSA-N	293.476	5.011	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc3nc(C4CC4)oc3c2)c(C)o1	447603899	ZGLHGKMJZQTKGI-NSHDSACASA-N	296.370	5.088	0	20	CKAD	
C[C@H](SCc1cccnc1)c1ccc(Cl)c(Cl)c1	463187962	AAEXYLBYLTVHJC-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CC1(C)CCCC[C@H]1CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	505578776	KWZLSEVZAMQPGM-WBAXXEDZSA-N	297.442	5.011	0	20	CKAD	
CCOc1cccc([C@H](C)NCc2ccc(C(C)C)cc2)c1	517553284	ZWUUZBTXXFAEMH-INIZCTEOSA-N	297.442	5.060	0	20	CKAD	
C[C@H](S[C@H](C)c1cccnc1)c1ccc(Cl)cc1	524402078	WGUHOLDATXLRGT-NWDGAFQWSA-N	277.820	5.290	0	20	CKAD	
CCSc1ccc(Cl)cc1N[C@@H](C)c1ccncc1	538635890	GBRJLCOGYYDJFJ-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
Cc1ccnc([C@@H](C)N[C@@H](c2ccccc2C)C(C)(C)C)c1	556868868	XDMJCYYYWMYNBK-APWZRJJASA-N	296.458	5.136	0	20	CKAD	
Cc1sc(-c2ccoc2)nc1-c1cccc(Cl)c1	591688279	BEJSHEYHLLLSPO-UHFFFAOYSA-N	275.760	5.032	0	20	CKAD	
Cc1noc([C@@H](C)S[C@H](C)c2ccc(C(C)C)cc2)n1	612018724	WPENFQMBJZGQPP-VXGBXAGGSA-N	290.432	5.057	0	20	CKAD	
CCc1cccc(CC)c1NC(=O)C[C@@H](C)CC(C)(C)C	612927443	VOBLHORVUGZNIV-CQSZACIVSA-N	289.463	5.212	0	20	CKAD	
FC(F)(F)c1cccc(CNc2ccc(C3CC3)cc2)c1	864022500	FOGGEHYJBTZPRG-UHFFFAOYSA-N	291.316	5.195	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)c(C)c1	42331326	RIKWPVHJIISIID-RDTXWAMCSA-N	285.456	5.167	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H](c1ccccc1)C(C)C	70090605	UDSGLQZYBINJDK-ZBFHGGJFSA-N	273.445	5.104	0	20	CKAD	
CSc1ccc(N[C@H](c2ccccc2)C(F)(F)F)cc1	70396751	ASPJQDBRLRRFCL-CQSZACIVSA-N	297.345	5.124	0	20	CKAD	
Brc1cc2c3ccccc3oc2c2ccccc12	168278064	YTFLJMRDSPVJIX-UHFFFAOYSA-N	297.151	5.502	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1csc(Cl)c1	468930800	LBTZVQUSLKGZRX-IAQYHMDHSA-N	291.847	5.048	0	20	CKAD	
C[C@H](CSCc1cccc(C(F)F)c1)C(F)(F)F	479602906	YSQBLTNYNQTDGV-MRVPVSSYSA-N	284.293	5.056	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1ccoc1)c1cccs1	536860176	VUHVWDILYXYESP-BLLLJJGKSA-N	277.433	5.169	0	20	CKAD	
CCc1ccc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)o1	539627575	ZAROTNAEGFFBDE-NSHDSACASA-N	296.370	5.034	0	20	CKAD	
C[C@H](N[C@H](C)c1csc2ccccc12)c1ccccc1	736347410	BPLMMJLIQWDQIH-UONOGXRCSA-N	281.424	5.313	0	20	CKAD	
Cc1ccccc1NC(=S)Nc1ccc(C2CCC2)cc1	782417091	DCAICBJASRPDOO-UHFFFAOYSA-N	296.439	5.071	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccccc1	37123035	RAYQUSRBBFVXGD-GUYCJALGSA-N	273.445	5.167	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1cccnc1)c1ccccc1	37228984	VRNXXLMMLGOSOP-VQIMIIECSA-N	282.431	5.054	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C	70090608	PDYNINSHRNGLDJ-XJKSGUPXSA-N	291.435	5.244	0	20	CKAD	
Cc1ncc([C@H](C)N[C@H](C)c2cccc3ccccc23)s1	90399651	KBDVKCXUKFUMFK-OLZOCXBDSA-N	296.439	5.017	0	20	CKAD	
CCc1ccc(/C=C(/Cl)c2nc3ccccc3o2)cc1	213716339	FJZUZBATCULTNT-SDNWHVSQSA-N	283.758	5.127	0	20	CKAD	
Cc1cc(CN[C@@H](CC(C)(C)C)c2ccccc2)cs1	381191088	IRMLORMTOPYASU-KRWDZBQOSA-N	287.472	5.324	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](c2cccs2)C2CC2)cc1C	480223507	DCUQRVQNIBLRMX-KBXCAEBGSA-N	285.456	5.167	0	20	CKAD	
Cc1cc(CSc2ccnc3ccccc23)c(C)s1	521866261	DVSFRUMHZRAGSH-UHFFFAOYSA-N	285.437	5.205	0	20	CKAD	
CCOCc1cccc(N[C@H](c2ccc(C)o2)C2CCC2)c1	542698557	WITCETGDEVACQW-IBGZPJMESA-N	299.414	5.078	0	20	CKAD	
Cc1ncc(CNc2ccc(-c3ccccc3)c(C)c2)s1	545829849	PEYRXLIMZFRQOO-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2cccc(Cl)c2)c1	602584642	NJSOXUKQXLIOCG-STQMWFEESA-N	289.806	5.221	0	20	CKAD	
CCC(CC)S[C@H](C)c1nnc(-c2cccc(C)c2)o1	750953660	PKDFJVHVHKEXKY-GFCCVEGCSA-N	290.432	5.028	0	20	CKAD	
CC[C@@H](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1	7608108	LBGWBDKMRZUBAR-BEFAXECRSA-N	295.426	5.072	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1	19987429	RTYNCRUNKHSHJL-NWDGAFQWSA-N	294.225	5.405	0	20	CKAD	
CC(C)C[C@H](NCc1ccsc1)c1ccc(Cl)cc1	462720118	VLGPZGQAFSXWNC-INIZCTEOSA-N	293.863	5.279	0	20	CKAD	
c1ccc(C(SCc2ccncc2)c2ccccc2)cc1	514563253	GUBOMALMNZKSQX-UHFFFAOYSA-N	291.419	5.104	0	20	CKAD	
CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccsc1	604939088	IOSQBQPQVIEEPK-GOEBONIOSA-N	293.476	5.018	0	20	CKAD	
C[C@@H](Nc1ccc(SC2CCCC2)cc1)c1ccccn1	37085881	QYNGVGOKNFYLQP-CQSZACIVSA-N	298.455	5.289	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H](CC(F)F)c2ccccc2)cs1	421884258	UGWZCKAFOUYFLL-DOMZBBRYSA-N	295.398	5.104	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@@H]1CC[C@@H](c2ccccc2)C1	480212087	ZLVCZTCRTZHQQX-FVQBIDKESA-N	299.380	5.033	0	20	CKAD	
Cc1cc(C)cc(CSCc2ncc(C(C)(C)C)o2)c1	500275206	GKPOBJRFBSOZSM-UHFFFAOYSA-N	289.444	5.022	0	20	CKAD	
CCC(CC)NC(=O)Nc1c(C(C)C)cccc1C(C)C	503513411	MJMFQGTZQYQQNC-UHFFFAOYSA-N	290.451	5.244	0	20	CKAD	
CSCc1cccc(N[C@@H](C)c2cc(F)cc(F)c2)c1	539735934	MNZZSRMJOXWOKI-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
C[C@@H](Nc1cccc2c1ccn2C)c1ccc(Cl)cc1	588909316	LAPKZNYEPXJRRV-GFCCVEGCSA-N	284.790	5.005	0	20	CKAD	
CC[C@H](NCc1cc2ccccc2o1)c1ccc(Cl)cc1	35257454	JJQAYWUFGPCPSP-KRWDZBQOSA-N	299.801	5.327	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1cccs1	37119163	FMHVCAVSBAHOMP-WBMJQRKESA-N	291.435	5.325	0	20	CKAD	
Cc1ccc([C@@H](N[C@H](C)c2cc(C)oc2C)C2CC2)cc1	44729868	XXIXUZHRCLSDHJ-AUUYWEPGSA-N	283.415	5.007	0	20	CKAD	
FC1(F)CCCC[C@@H]1CNc1cccc2ccccc12	381669025	KVWVRMRLTVVTFE-CQSZACIVSA-N	275.342	5.077	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(-c3ccccc3)o2)oc1C	502686033	IYFSXOMMIJQGEY-AWEZNQCLSA-N	295.382	5.007	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1ccc(Cl)s1)c1cccs1	557248268	YWXRYWVWCBGCFF-QWRGUYRKSA-N	299.892	5.655	0	20	CKAD	
CCC(CC)[C@H](NCc1ccccc1)c1cccs1	620760680	MSBSCJBHCPSANQ-KRWDZBQOSA-N	273.445	5.015	0	20	CKAD	
C[C@H](c1ccc2ccccc2c1)c1nc(C2CCCC2)no1	904356204	HOUUZKPFQMFAAL-CYBMUJFWSA-N	292.382	5.032	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)c1ccco1)c1cccs1	41640156	ARULPRHEWIUBEG-YJBOKZPZSA-N	297.423	5.171	0	20	CKAD	
Cc1cc(CSCc2ccc(-c3ccccc3)cc2)on1	216371457	INCMJWZAHAOQKZ-UHFFFAOYSA-N	295.407	5.083	0	20	CKAD	
C/C=C\c1ccc(N[C@H](C)c2nc3ccccc3o2)cc1	487970263	RWOHDFBQBFSPAI-ACVFHECNSA-N	278.355	5.034	0	20	CKAD	
Cc1cc2cc(N[C@@H](C)c3ccc(Cl)cc3)ccc2[nH]1	500300035	VVPNRHALRTXBTC-LBPRGKRZSA-N	284.790	5.303	0	20	CKAD	
O=C(CC1=CCCCC1)N1CCCCC[C@H]1c1ccccc1	521596402	XXTSRPUCMHKVAE-IBGZPJMESA-N	297.442	5.021	0	20	CKAD	
C/C=C/c1ccc(N[C@H](C)c2sc(CC)nc2C)cc1	562058580	WEQFVLSHDLIQGV-HOSRBBHYSA-N	286.444	5.220	0	20	CKAD	
CCc1c([C@H](C)N[C@H](C)c2ccc[nH]2)oc2ccc(C)cc12	776171779	PYEHAAZAWAFCSJ-KGLIPLIRSA-N	296.414	5.044	0	20	CKAD	
Cc1ccccc1[C@H](C)N[C@H](C)c1ccccc1Cl	20552945	RNHLRXSMHRSPTF-UONOGXRCSA-N	273.807	5.060	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)cc(C)c1)c1cccs1	130437279	NODLRZPDOVJJQB-GDBMZVCRSA-N	273.445	5.167	0	20	CKAD	
C[C@H](c1ccccc1Cl)N(C)C(=O)CCCC(C)(C)C	303192583	KBSWLJBKKFUABL-CYBMUJFWSA-N	295.854	5.076	0	20	CKAD	
CCC[C@H](Nc1ccc(COCC)cc1)c1ccsc1	443083899	DYMDQYTYADZYJB-KRWDZBQOSA-N	289.444	5.238	0	20	CKAD	
C[C@H](Sc1ccc2ccccc2c1)c1cccnc1	522515166	GVGXBYXRWYRTBO-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
F[C@H](CC1CCCCC1)c1nc([C@@H]2CCCCS2)no1	561905288	GFTXCMSAZDDGLB-OLZOCXBDSA-N	298.427	5.009	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1F)c1cccc(C2CC2)c1	570990453	JRYLMYKMFNZOEY-UONOGXRCSA-N	283.390	5.115	0	20	CKAD	
C(=C\c1cccc2cnccc12)\c1nc2ccccc2s1	679923904	OOQIEQYBGZJNCU-HJWRWDBZSA-N	288.375	5.015	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)c1C	775632078	GOSMMZBFGAPBGJ-CVEARBPZSA-N	292.426	5.197	0	20	CKAD	
C/C(=C\Cl)CSCc1nc(-c2ccsc2)oc1C	797811881	DGWZKFAZMADKRR-WEVVVXLNSA-N	299.848	5.087	0	20	CKAD	
CCC/C(C)=C/C(=O)N(CCC)[C@@H](CC)c1ccccc1	920217780	BUHFLKLCQAIZMP-ZPICJPFVSA-N	287.447	5.123	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc(COC(C)C)cc1	180169953	UWHCXNWRUKGVLD-CQSZACIVSA-N	289.444	5.155	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc2ccccc2s1)c1ccncc1	188066685	JQIBKEGURILOBM-CJNGLKHVSA-N	296.439	5.098	0	20	CKAD	
CC(C)[C@H](NCc1ccsc1Cl)c1ccc(F)cc1	312562415	QPWNWQRJKCQCGA-AWEZNQCLSA-N	297.826	5.028	0	20	CKAD	
C[C@@H]1C[C@H]1c1ccc(CNc2cccc(C(C)(F)F)c2)o1	436413708	UNYHDTLHOYGZGV-IAQYHMDHSA-N	291.341	5.127	0	20	CKAD	
Cc1ccoc1CN[C@H](C)c1ccc(Cl)c2ccccc12	462523829	IRQSQVSCLONODH-CYBMUJFWSA-N	299.801	5.245	0	20	CKAD	
CC[C@H](C)[C@@H](NCc1ccsc1)c1ccc(Cl)cc1	462761960	JIHDGQUSWJITMR-BLLLJJGKSA-N	293.863	5.279	0	20	CKAD	
CC[C@@H](N[C@H](c1cccs1)C1CC1)c1ccccc1F	491261949	WLWWKWCLXLJGKQ-WBVHZDCISA-N	289.419	5.079	0	20	CKAD	
CC(C)c1nc(CS[C@H](C)c2cccc(F)c2)cs1	604060956	WHTXOHCIKSVHIF-LLVKDONJSA-N	295.448	5.400	0	20	CKAD	
CC(C)C[C@@H](NCc1cscc1Cl)c1cccs1	771950577	FAAONHPNJDLTCZ-CYBMUJFWSA-N	299.892	5.340	0	20	CKAD	
C/C=C(\CC)C(=O)Nc1ccc(SC(C)(C)C)cc1C	788768698	ANQSFOMVJKLXBR-NTUHNPAUSA-N	291.460	5.180	0	20	CKAD	
CCCCCC[C@@H](CCCC)Cc1ccsc1	1857522993	ZNXNQYMWOKHZSX-OAHLLOKOSA-N	252.467	6.067	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc(C)sc1C)CC2	126485816	MMUPKYYIVHVWAD-SCLBCKFNSA-N	285.456	5.011	0	20	CKAD	
O=C(CCCC1CCCCC1)N1CCC[C@@H]1c1ccccc1	247805942	ZGZYOEDMRDSYHQ-LJQANCHMSA-N	299.458	5.101	0	20	CKAD	
CCCOc1ccccc1N[C@H](CC)c1ccsc1	394350154	MKSZOFGTEGLHQU-CQSZACIVSA-N	275.417	5.100	0	20	CKAD	
C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1cccs1	556609445	OGGHUYUSKIXPKR-LBPRGKRZSA-N	291.847	5.132	0	20	CKAD	
CCC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cc1C	726753306	FWJJFJAECZPKBK-UHFFFAOYSA-N	281.399	5.037	0	20	CKAD	
CC(C)CCc1ccc(NC(=S)Nc2ccccc2)cc1	745035031	BWWKPFZKDCXQJL-UHFFFAOYSA-N	298.455	5.084	0	20	CKAD	
CCCN(C(=O)C(C)=C(C)C)[C@H](C)c1cc2ccccc2o1	751363753	LAWULRKDGJOLKW-OAHLLOKOSA-N	299.414	5.089	0	20	CKAD	
CCC(CC)(CC)S[C@@H]1CCO[C@H](c2cccnc2)C1	863326845	SZHYJUOLVMUNFH-CVEARBPZSA-N	293.476	5.004	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1nccs1)c1cccs1	93403051	XVGYDYDSAVPQQS-FZMZJTMJSA-N	294.489	5.033	0	20	CKAD	
CSc1cccc(N[C@@H](C)c2ccc3ccccc3n2)c1	182689036	WCYKKJZFAKVXCU-ZDUSSCGKSA-N	294.423	5.130	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccccc1	302928115	CVSJZJAOQQJWGH-IIBYNOLFSA-N	289.422	5.642	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3o2)cs1	381510247	UWKXKSXCHVQEGI-QWHCGFSZSA-N	285.412	5.215	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](c2ccccc2)c2ccco2)cs1	381783510	RJRYHMGUYGLVFN-RDTXWAMCSA-N	297.423	5.090	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1cccc(C)c1	440633767	GFIGJSOZRDPFRZ-GJZGRUSLSA-N	285.456	5.129	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1cccs1	453279218	AEUPUKNWVQHCEU-JTQLQIEISA-N	267.344	5.033	0	20	CKAD	
Cc1c([C@@H](NCc2cccs2)C(C)C)oc2ccccc12	482160625	UDAUCMGPQDXQEG-KRWDZBQOSA-N	299.439	5.290	0	20	CKAD	
Cc1ccc(-c2nc(-c3cc(C)sc3C)cs2)o1	523734322	NQTKYUJASKAWPU-UHFFFAOYSA-N	275.398	5.057	0	20	CKAD	
c1cc2c(s1)CCC[C@H]2NCc1ccc2sccc2c1	580381888	VQRLNXVKRCKBCW-OAHLLOKOSA-N	299.464	5.130	0	20	CKAD	
CC(C)c1ccc(NC(=O)c2ccc(F)cc2)c(C(C)C)c1	27139131	YRWRYUPVUYUZJS-UHFFFAOYSA-N	299.389	5.325	0	20	CKAD	
C(=C\c1nc2cc(-c3ccccc3)ccc2o1)\c1cccnc1	33462746	SBJLTXQRXPJONP-FLIBITNWSA-N	298.345	5.060	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1cc(F)ccc1F	36952000	USENTUUKAMDZPM-LBPRGKRZSA-N	283.321	5.291	0	20	CKAD	
C[C@H](SCc1c(Cl)cccc1Cl)c1cccnc1	60824818	GZCPVQYQGNZNHF-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2ccccc2s1)c1ccsc1	121984728	JUDQZLSZAXNFEE-RYUDHWBXSA-N	287.453	5.375	0	20	CKAD	
C[C@H](c1ccc(Br)cc1)C1CCCCC1	259551005	XLNBCARTVVGIOO-NSHDSACASA-N	267.210	5.133	0	20	CKAD	
CC(F)(F)c1cccc(NCc2cc3ccccc3o2)c1	435891010	YLHBXFFQQHARJW-UHFFFAOYSA-N	287.309	5.157	0	20	CKAD	
CC[C@@H](C)[C@H](NCc1ccsc1)c1ccc(Cl)cc1	462761966	JIHDGQUSWJITMR-WBMJQRKESA-N	293.863	5.279	0	20	CKAD	
Cc1cnc(-c2cccc(N[C@H](C)c3cc(C)c(C)o3)c2)o1	502476465	MXLLLEWOXKCDOV-CYBMUJFWSA-N	296.370	5.033	0	20	CKAD	
Cc1occc1S[C@H](C)c1ncc(-c2ccccc2)o1	508133467	GWEPHKFZSLCWTF-GFCCVEGCSA-N	285.368	5.096	0	20	CKAD	
CCCc1nc(CS[C@@H](C)c2ccccc2)cs1	515721887	XCRJTKJXPCXBCZ-LBPRGKRZSA-N	277.458	5.090	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cccc(C3CC3)c2)c(C)o1	556064564	GXCSGQJFQIMOTG-KBPBESRZSA-N	283.415	5.186	0	20	CKAD	
Cc1cc(-c2ccccc2)ccc1NC(=O)CC1CCCC1	914733808	UOKMDEVIPNVKDO-UHFFFAOYSA-N	293.410	5.181	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)C(C)C	171881263	QHHAJFCWVWAUDM-CQSZACIVSA-N	275.436	5.164	0	20	CKAD	
Cc1csc(CN[C@H](C)c2cc3ccccc3s2)c1	380630034	BKMGFOCILZSVSS-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2ccco2)ccc1-c1ccccc1	427856858	OVCYUMWQMHUOJY-INIZCTEOSA-N	291.394	5.106	0	20	CKAD	
CC(C)c1ccccc1OCc1cc(-c2ccccc2)no1	492122977	UGGUYHHWTZYFPC-UHFFFAOYSA-N	293.366	5.044	0	20	CKAD	
Cc1cccc([C@H](C)NCc2csc3ccccc23)c1C	604418435	YZEAEENLYAECIM-HNNXBMFYSA-N	295.451	5.369	0	20	CKAD	
Cc1cc(Cl)ccc1NC(=O)CC/C=C\c1ccccc1	606158042	PWAOZXJVPCEQNS-UITAMQMPSA-N	299.801	5.081	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccccn1	645405598	YQYHLJLXKHNEDV-MGPUTAFESA-N	294.442	5.151	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)c(Cl)c1	773116326	JJNQEZCRYJQDCN-IINYFYTJSA-N	297.229	5.123	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)s1	21817541	QQUQVCTUJNIIFI-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
Cc1cc(C)cc(CN[C@@H](C)c2oc3ccccc3c2C)c1	65932326	WRCFBSQFZHPPIQ-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1cc(F)cc(F)c1	94826188	UCEGITMCWLYXDB-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](NCc1ccc(-c2ccccc2)o1)c1cccs1	236966964	BGCQRJSIDAQDJW-INIZCTEOSA-N	297.423	5.249	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2	302855707	KNXJHUINKFXLMS-MPGHIAIKSA-N	299.458	5.308	0	20	CKAD	
FC(F)(F)CCCCNc1cccc2ccsc12	443470947	XFAKFGFNHVAUNN-UHFFFAOYSA-N	273.323	5.046	0	20	CKAD	
Clc1ccc([C@H](CC2CC2)NCc2cccs2)cc1	468926955	KJEMESIOXMRQGY-INIZCTEOSA-N	291.847	5.033	0	20	CKAD	
CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1-c1cccs1	502553079	GIYDHIPOAPPNRV-CHWSQXEVSA-N	287.428	5.036	0	20	CKAD	
Cc1cc(C)c(CNc2cccc(COC(C)C)c2)cc1C	620123593	QRTGIKXFCVFAGT-UHFFFAOYSA-N	297.442	5.149	0	20	CKAD	
CCCc1ccc(N[C@@H](C)c2ccc(C(C)(C)O)cc2)cc1	863988844	GNCQOZFTDZMVPP-HNNXBMFYSA-N	297.442	5.040	0	20	CKAD	
CCc1ccc([C@H](C)NCc2cccc(C(F)F)c2)cc1	131782941	RUCRDHHPLOIINY-ZDUSSCGKSA-N	289.369	5.037	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2csc(Cl)c2)c1	191475855	PUDOMSNVKISNJQ-MNOVXSKESA-N	295.835	5.282	0	20	CKAD	
CCSc1cccc(NC2CCC(C(F)F)CC2)c1	442861349	XRUSRSZZSSRZJB-UHFFFAOYSA-N	285.403	5.034	0	20	CKAD	
Cc1ccc(C)c(N[C@H](C)c2csc(C(C)C)n2)c1	469766989	DUTIXPIHUPDHMP-CYBMUJFWSA-N	274.433	5.056	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3ccccc3n2)s1	765300052	MBDKKGZLMQQFFK-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
C[C@H](N[C@H](C)c1cc(F)ccc1F)c1ccccc1Cl	21796044	JGYSBLOKJNBODN-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](Nc1ccc(SC)cc1)c1cccs1	21805189	VCHSHDMIAKDIJQ-ZDUSSCGKSA-N	263.431	5.033	0	20	CKAD	
Cc1[nH]c2ccccc2c1-c1csc(-c2cccs2)n1	22459817	JZCRMACQBWZGBN-UHFFFAOYSA-N	296.420	5.328	0	20	CKAD	
Cc1cc([C@H]2CCCN2)ccc1-c1ccccc1C(F)F	629734546	REALYRUEIPINQY-QGZVFWFLSA-N	287.353	5.024	0	20	CKAD	
CCCCc1noc([C@@H](C)S[C@@H](C)c2cccs2)n1	737405931	LQEOKLUKEOTIFD-WDEREUQCSA-N	296.461	5.029	0	20	CKAD	
CCCc1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1	747815820	WVFTVLPGYNBCGV-CYBMUJFWSA-N	286.419	5.098	0	20	CKAD	
CC(C)(C)Nc1ccccc1NC1CCC(C(F)F)CC1	799725911	LNJUOMUSFZXGMQ-UHFFFAOYSA-N	296.405	5.133	0	20	CKAD	
CC[C@@H](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1	7608110	LBGWBDKMRZUBAR-DNVCBOLYSA-N	295.426	5.072	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(F)cc1F	20559749	FCWZCRJWDJNFAI-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(Cl)s1)CC2	149488251	IKEMWJSDIPOPML-BXUZGUMPSA-N	291.847	5.048	0	20	CKAD	
Cc1ccccc1[C@H](C)NCc1cc2ccccc2s1	237539128	VCWJFKVPBHLUBL-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](CC(C)C)c2ccccc2)cs1	381745495	MRYJMRXQGWLXKW-CRAIPNDOSA-N	287.472	5.495	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@]12CCC[C@H]1C2	421422240	VEIDMUAFJOEEKF-IFXJQAMLSA-N	285.431	5.062	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](C)c1oc2ccccc2c1C	477866130	XYQMZZSIMRURNI-KBPBESRZSA-N	299.439	5.523	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccccn1	500644514	BOWYRMFSQYPFMS-OXJNMPFZSA-N	296.458	5.397	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@H](CC(C)C)c1cccs1	557247634	QHVSSADPBQEHCU-UONOGXRCSA-N	293.501	5.556	0	20	CKAD	
CSc1cccc(N[C@@H](C)c2nccc3ccccc23)c1	562084405	RIUAYICWGDQPDZ-ZDUSSCGKSA-N	294.423	5.130	0	20	CKAD	
c1ccc2c(CN[C@H]3CCCc4sccc43)csc2c1	61360248	ZKERQMBUIAZVOL-HNNXBMFYSA-N	299.464	5.130	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccccc2OC(C)C)c1	386096262	NYRYANYYLRWBCQ-IAGOWNOFSA-N	297.442	5.194	0	20	CKAD	
Cc1cccc([C@@H](C)S[C@H](C)c2nc(C(C)C)no2)c1	437271640	WDMBCQRJMBNMEH-CHWSQXEVSA-N	290.432	5.057	0	20	CKAD	
CC(C)[C@H](NCc1cc2cc(F)ccc2o1)c1ccccc1	462677125	DZJUJZMVYCZESM-IBGZPJMESA-N	297.373	5.059	0	20	CKAD	
FC(F)(F)Cc1nc(-c2ccc3ccccc3c2)cs1	480148276	SNZQEOFOPGDKQZ-UHFFFAOYSA-N	293.313	5.068	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(-c3ccccc3)o2)cc1	513104329	GXFPQLKDUILDKH-INIZCTEOSA-N	291.394	5.106	0	20	CKAD	
C[C@@H](Nc1ccc(-c2cnc(C3CC3)o2)cc1)C(C)(C)C	537538583	PKRDWAWTFUECAJ-GFCCVEGCSA-N	284.403	5.066	0	20	CKAD	
Cc1ccccc1[C@H](CC(C)C)N[C@H](C)c1cnccc1C	538986800	GPOFLIFGDJMYED-XLIONFOSSA-N	296.458	5.136	0	20	CKAD	
Cc1cc2cc([C@@H](C)N[C@@H](C)c3ccsc3)oc2cc1C	669851108	VDCLBXMXPGMGTO-UONOGXRCSA-N	299.439	5.523	0	20	CKAD	
Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1	678427386	NGOOGRWBNFCFHI-HOTGVXAUSA-N	296.458	5.099	0	20	CKAD	
C[C@H](Nc1cccc(C2CCC2)c1)c1ccnc(Cl)c1	812737316	OADKQWNCTOSEQN-LBPRGKRZSA-N	286.806	5.176	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1ccccc1-c1cccs1	920220533	SIPNOEZSKCIALL-OUKQBFOZSA-N	285.412	5.100	0	20	CKAD	
CC(C)c1ccccc1N[C@@H](C)c1ccccc1F	21010803	LODCBJFFQGLFFW-ZDUSSCGKSA-N	257.352	5.122	0	20	CKAD	
Cc1ccsc1CN[C@H](C)c1ccc(C(C)C)cc1	34996124	OOXKRPHUZRKLLU-CQSZACIVSA-N	273.445	5.031	0	20	CKAD	
CCCCCN(C(=O)Nc1ccccc1C(F)F)C(C)C	425690994	HTZSLVLPNWHHBE-UHFFFAOYSA-N	298.377	5.057	0	20	CKAD	
CC(C)[C@@H](C)Sc1nnc(-c2cccc3ccccc23)o1	430147226	KTADTQWFUDBLJR-GFCCVEGCSA-N	298.411	5.026	0	20	CKAD	
CC[C@@H](NCc1cc2c(C)c(C)ccc2[nH]1)c1cccs1	472064793	ULOHAXGVTYZOIW-MRXNPFEDSA-N	298.455	5.087	0	20	CKAD	
CCCC(CCC)[S@@](=O)[C@H](C)c1cccc(Cl)c1	480006991	BQTKMRNYWLQEFL-XIKOKIGWSA-N	286.868	5.119	0	20	CKAD	
CCC(CC)SCc1ncc(-c2ccccc2C)o1	534527940	XBRPJPTYVUCNHH-UHFFFAOYSA-N	275.417	5.072	0	20	CKAD	
Clc1cccc(Cl)c1-c1noc(C=C2CCCC2)n1	598532061	DUURZKFMJQNUQR-UHFFFAOYSA-N	295.169	5.001	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1cccc(Cl)c1	37075142	RLBPUOBZLNRNQY-ACJLOTCBSA-N	285.818	5.142	0	20	CKAD	
Cc1cc([C@@H](C)NCc2cccc(Cl)c2F)c(C)s1	125085057	ODONWQNWNGGMGP-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
C[C@H](NC1CCC(F)(F)CC1)c1cc2ccccc2s1	446931690	RTXXIPUKKVKWCZ-NSHDSACASA-N	295.398	5.130	0	20	CKAD	
Cc1cncc([C@H](C)N[C@@H](CC(C)C)c2ccccc2C)c1	467734230	QFLGOYCDSAHEBU-PXNSSMCTSA-N	296.458	5.136	0	20	CKAD	
CC(C)c1nc([C@H](C)Nc2cccc3ccccc23)cs1	469771109	ZQODKBLNYFZIFW-ZDUSSCGKSA-N	296.439	5.593	0	20	CKAD	
Cc1nc(C)c(CSCc2cccc(C(F)F)c2)s1	479597513	CSGKMEIETPYCKO-UHFFFAOYSA-N	299.411	5.131	0	20	CKAD	
CC(F)(F)c1cccc(NCc2cc(Cl)cs2)c1	487543158	SVVIVCHIVQMDSX-UHFFFAOYSA-N	287.762	5.125	0	20	CKAD	
CCN(C(=O)c1ccc(C(C)C)cc1)c1cc(C)ccc1C	489958506	QBQBVVNMVZYJRY-UHFFFAOYSA-N	295.426	5.094	0	20	CKAD	
CC(C)c1ccc(N[C@@H](c2ccc(F)cn2)C(C)C)cc1	498747033	IJDYDDWIDMDXHR-GOSISDBHSA-N	286.394	5.153	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccccc1F)c1ccc(Cl)s1	532499920	FOXRXGFSNSMJQR-MFKMUULPSA-N	297.826	5.343	0	20	CKAD	
c1ccc([C@@H](NCc2cc3ccccc3o2)C2CCC2)cc1	591699003	PPZGQBTXYOMBQB-HXUWFJFHSA-N	291.394	5.064	0	20	CKAD	
CCCCN(C(=O)CC(C)(C)CC)[C@@H](C)c1ccc(C)o1	608584804	BKEBCFFZCGFJOJ-HNNXBMFYSA-N	293.451	5.104	0	20	CKAD	
CCCC(C)(C)C(=O)Nc1cccc(C(F)F)c1Cl	649922019	KLQROAYCXDTHMT-UHFFFAOYSA-N	289.753	5.042	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1ccc(Cl)nc1	812739733	ZSYPRGIYPPSAPJ-GFCCVEGCSA-N	286.806	5.176	0	20	CKAD	
C[C@H](Nc1ccc([C@H](F)C(F)(F)F)cc1)c1ccoc1	883363922	RKWJNIPOYYMENL-ZANVPECISA-N	287.256	5.026	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1coc2ccccc12)c1ccccn1	924946614	ONDGIOYGIKFCQF-KBXCAEBGSA-N	294.398	5.020	0	20	CKAD	
C[C@@H](Nc1cc(Cl)cc2cccnc12)c1cccs1	36918533	QZASISVXPXZNAA-SNVBAGLBSA-N	288.803	5.123	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccc(F)cc1)c1cccs1	49528959	MDWCFAISMBQANU-CABCVRRESA-N	277.408	5.079	0	20	CKAD	
Clc1c(CSc2nccs2)sc2ccccc12	64661344	BHOYITGENFVOSC-UHFFFAOYSA-N	297.857	5.304	0	20	CKAD	
CCC(CC)[C@@H](N[C@H](C)c1ccoc1)c1ccccc1	94868599	UXJSPPHPLKJXRW-RDTXWAMCSA-N	271.404	5.108	0	20	CKAD	
C[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1Cl	131300546	VAANPHZRLMIULT-NSHDSACASA-N	295.760	5.128	0	20	CKAD	
Clc1ccc(-c2ccccc2CNc2ccccn2)cc1	303155794	NUHPPPCVDPRBOY-UHFFFAOYSA-N	294.785	5.014	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCCC2	474213164	PIBHZVBQAJNGCY-QGZVFWFLSA-N	299.458	5.452	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc3ccccc3s2)oc1C	502433855	JFFFSIHUXXWZHN-STQMWFEESA-N	299.439	5.523	0	20	CKAD	
CCCCCN(C(=O)[C@H](C)c1cccs1)[C@H](C)CCC	523103957	RQRLUPSURLJUSO-HUUCEWRRSA-N	295.492	5.059	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cc3ccncc3s2)c1	658030528	DSMYYNCVDZLDFY-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CC[C@H](NCc1ccc(CF)cc1)c1ccc(Cl)s1	754333749	NDDDAUMTWIODTF-ZDUSSCGKSA-N	297.826	5.112	0	20	CKAD	
Cc1ccc(C)c([C@H](C)N[C@@H](C)c2ccc(C)s2)c1	37103443	KXYKVNGGJKYAJI-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2c(F)cccc2F)s1	41631794	IQJACLFYCNVNNY-WDEREUQCSA-N	295.398	5.001	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2occc21)c1cc2ccccc2s1	126413550	YHYZKFDTTIXCKJ-DOMZBBRYSA-N	297.423	5.223	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sccc21)c1csc(Cl)c1	191504959	BXVJMJRXSJNXCU-BXKDBHETSA-N	297.876	5.191	0	20	CKAD	
CCC[C@@H](N[C@H](CC)c1ccsc1)c1ccccc1	394351566	NLZVBNNHKHVZPU-IAGOWNOFSA-N	273.445	5.330	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)C1CCC(F)(F)CC1	474052490	DUBWPFVAWCQHNF-IAQYHMDHSA-N	299.430	5.003	0	20	CKAD	
CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	538115256	OVHQMKTWQQLDBA-HOTGVXAUSA-N	296.458	5.179	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2cc3cnccc3o2)cc1	657941288	ZRFBKKQAOXOGBR-CYBMUJFWSA-N	280.371	5.124	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(-c2ccccc2)c1)c1ccc[nH]1	773121394	ZGPBCKSHVFXOAI-CVEARBPZSA-N	290.410	5.094	0	20	CKAD	
Cc1nc2c(s1)[C@H](Nc1ccc3ccccc3c1)CCC2	776782397	KFZICBZKQYKCQW-QGZVFWFLSA-N	294.423	5.094	0	20	CKAD	
c1ccc(Oc2ccc(NCc3ccsc3)cc2)cc1	20010286	MASIKZVHPCIOFA-UHFFFAOYSA-N	281.380	5.153	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1cccs1	36994704	KHGUHDHKLWBGSY-CZUORRHYSA-N	273.445	5.186	0	20	CKAD	
CCCCC[C@H](NCc1cccs1)c1ccccc1	37231979	YCURESMEFSASTN-KRWDZBQOSA-N	273.445	5.159	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)s2)c(C)c1	37772116	AYNWDQQTIZIMBC-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
Cc1c([C@@H](C)Nc2cccc3ccccc23)cnn1C(C)C	191466442	ACXCUAQZXOCQSQ-CQSZACIVSA-N	293.414	5.099	0	20	CKAD	
CC(F)(F)c1cccc(NCc2ccsc2Cl)c1	480263271	JMXDCFJVODKXHX-UHFFFAOYSA-N	287.762	5.125	0	20	CKAD	
CC(C)C[C@@H](C)CC(=O)Nc1cccc(Cl)c1Cl	524243345	CRUPZTKAFZBSRP-SNVBAGLBSA-N	288.218	5.004	0	20	CKAD	
Cc1ccc([C@@H]2CCCCN2C(=O)C2CCCCCC2)cc1	525025759	VSCKUMFRCFBHFJ-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@H]1CCc2c(Cl)cccc21	539044390	PZYJNKUTTVGVGH-ABAIWWIYSA-N	291.847	5.048	0	20	CKAD	
Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)o1	7669088	NLXDWJOFABPKEI-UHFFFAOYSA-N	299.414	5.396	0	20	CKAD	
C[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1F	19996491	XAEHOVKFSJAWMZ-JTQLQIEISA-N	283.268	5.018	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cc(C)sc2C)c(C)s1	37122805	ADGPBICKDNFXSL-RYUDHWBXSA-N	293.501	5.455	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2)s1	49158688	JZHNNWCWXVDPGT-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
CC(C)c1ccc(SCc2cccc(Cl)n2)cc1	91436801	DSLVTEQSDKQVSD-UHFFFAOYSA-N	277.820	5.151	0	20	CKAD	
Cc1cccc(S[C@H](C)c2ncc(C(C)(C)C)o2)c1	476485618	AEAZHLOKGPWREL-GFCCVEGCSA-N	275.417	5.134	0	20	CKAD	
Cc1cccc(N[C@H](C)c2nccc3ccccc23)c1C	520666936	VIBVUTVJKOLYRA-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
COc1ccccc1S[C@H](C)c1ccccc1Cl	620678992	LTVRMFUBERXNEI-LLVKDONJSA-N	278.804	5.202	0	20	CKAD	
Cc1ccc(CC(=O)Nc2ccc(C(C)C)cc2C(C)C)o1	677135348	XIDIOOWFIGFJJT-UHFFFAOYSA-N	299.414	5.016	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1cccs1	742482310	HEUDNIBWSTXVFY-HUUCEWRRSA-N	293.476	5.018	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1cccs1	19900852	WWYPDDMPEDFLOY-GFCCVEGCSA-N	253.370	5.074	0	20	CKAD	
Clc1ccc(Cl)c(-c2cc3ccccc3o2)c1	39219276	QWOPVYZGEAEKKA-UHFFFAOYSA-N	263.123	5.407	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)c1	96497078	VYXNAVMWPLTXDX-LSDHHAIUSA-N	287.834	5.369	0	20	CKAD	
CC[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccccc1F	168751163	CYYDNWYXEANKTH-RTBURBONSA-N	283.390	5.018	0	20	CKAD	
CC[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1	302930329	GIIHXFUDQGXVAU-INIZCTEOSA-N	292.382	5.268	0	20	CKAD	
Cc1cccc([C@H](C)[S@@](=O)c2ccc3ccccc3c2)c1	475050770	ULLPOFHOSUSBMV-YCRPNKLZSA-N	294.419	5.017	0	20	CKAD	
C[C@@H](N[C@@H](CC1CCC1)c1ccccc1)c1ccsc1	495412234	AMMQZLOMCYJHRW-KDOFPFPSSA-N	285.456	5.330	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1cccc(F)c1	531705424	GNMHNOVHTJGWRQ-AUUYWEPGSA-N	283.390	5.018	0	20	CKAD	
CCCc1nnc(S[C@H](C)c2cccc3ccccc23)o1	532016592	MXIUCARGDYPDNV-GFCCVEGCSA-N	298.411	5.029	0	20	CKAD	
Cc1ccncc1[C@@H](C)N[C@H](CC(C)C)c1ccccc1C	538986801	GPOFLIFGDJMYED-YLJYHZDGSA-N	296.458	5.136	0	20	CKAD	
Cc1ccc2oc(CN[C@H](C)c3cccc(C)c3C)cc2c1	578403860	YDLASHNGYIABBN-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H]2CCCC[C@@H]2C)c(Cl)c1	620326499	DRLUIBDQTWNFHQ-JSGCOSHPSA-N	293.838	5.112	0	20	CKAD	
Clc1ccc2cccnc2c1CSc1ccccc1	643091246	MJRIHSGTXXZMRH-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
CC(C)c1ccccc1OCc1ncc(-c2ccccc2)o1	661477381	GMIOZLFUZYMZLE-UHFFFAOYSA-N	293.366	5.044	0	20	CKAD	
Cc1ccc2cc(CNc3ccc(C4CC4)cc3)ccc2n1	682086562	FHRLVCHCVYUSDC-UHFFFAOYSA-N	288.394	5.033	0	20	CKAD	
C/C=C/C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1	752472291	CNOQUUSLOAXNLJ-UFZAZABTSA-N	297.423	5.055	0	20	CKAD	
C/C=C(/CC)C(=O)Nc1ccc(SC(C)(C)C)cc1C	788768699	ANQSFOMVJKLXBR-QPEQYQDCSA-N	291.460	5.180	0	20	CKAD	
CSc1ccccc1NCc1cccc(C(F)(F)F)c1	35040610	CIJORKUYNDOXPU-UHFFFAOYSA-N	297.345	5.039	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccccc1)c1ccc(Cl)cc1	35054097	DNRKXJPCHHBTFO-KBXCAEBGSA-N	287.834	5.388	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](CC(C)C)c2ccccc2)o1	36960035	SKBBTPKWLVOQQT-WBVHZDCISA-N	271.404	5.026	0	20	CKAD	
Clc1nc2ccccc2cc1CSc1ccccc1	37493636	FPCULLKRYHPYOW-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(Cl)cc2Cl)cc1	37770084	RBPKQFSXEISECK-GFCCVEGCSA-N	294.225	5.153	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)cc1	37770736	NMJNOQJMWOTPJD-STQMWFEESA-N	291.797	5.199	0	20	CKAD	
CC(C)c1ccc(SCc2ccnc(Cl)c2)cc1	50165664	PBDCRZDMHPXYDU-UHFFFAOYSA-N	277.820	5.151	0	20	CKAD	
CC(C)c1nc2cc(N[C@@H](C)c3ccsc3)ccc2o1	50343126	IZTYBHRADWDLDG-NSHDSACASA-N	286.400	5.186	0	20	CKAD	
Cc1cnc([C@@H](C)N[C@@H](C)c2cccc3ccccc23)s1	134901174	BJBQZSUTCPUPBD-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
Fc1cncc([C@H](Nc2cccc(C3CCC3)c2)C2CC2)c1	462946466	VHHMRUMFEDTEQS-LJQANCHMSA-N	296.389	5.051	0	20	CKAD	
Cc1ccc(-c2nc(CSc3ccccc3)cs2)o1	510081816	BIEQEWXWBJMHQD-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CC(C)[C@@H](NCc1ccoc1)c1ccc(Cl)c(Cl)c1	539160944	IULDETWXFJXJHL-OAHLLOKOSA-N	298.213	5.073	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](C)c2cc3ccccc3[nH]2)c1	926084865	LFIJUYUHOVLCMB-ZIAGYGMSSA-N	294.398	5.048	0	20	CKAD	
Cc1cccc(CNCc2ccc(-c3ccccc3)s2)c1	35230262	PEIIYSMCRHSMBU-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CC(C)(C)[C@@H](N[C@@H]1CCCc2occc21)c1ccccc1	122130636	CBIWPSSDIRSVDR-AEFFLSMTSA-N	283.415	5.034	0	20	CKAD	
Cc1nnc([C@H](C)S[C@H](C)c2ccc(C(C)C)cc2)o1	182068287	LOYKMJWEPFAUNX-NEPJUHHUSA-N	290.432	5.057	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@@H](c2cccc(C)c2)C(C)(C)C)c1	467742148	UVEWJIBZOCUCGD-APWZRJJASA-N	296.458	5.136	0	20	CKAD	
C[C@H](Sc1cc(F)ccc1F)c1ncc(C(C)(C)C)o1	476493377	UDIRENRSLQHEGJ-VIFPVBQESA-N	297.370	5.104	0	20	CKAD	
Cc1cscc1CN[C@H](C)c1ccc(-c2ccccc2)o1	494478189	SEQSPWSQTNWKPV-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
CCC(CC)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	498434100	OSNHIFSKTIEUDE-CYBMUJFWSA-N	293.476	5.260	0	20	CKAD	
CC(C)c1ccc(CSCc2ncc(C3CC3)o2)cc1	534053941	LRKQZTRNXBYQNX-UHFFFAOYSA-N	287.428	5.109	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2ccc(F)c3ccccc23)s1	550622648	OMDUSHVQACZMQO-CYBMUJFWSA-N	299.414	5.200	0	20	CKAD	
CCCCCSc1nnc(-c2ccc3ccccc3c2)o1	643101671	NQAAEHHEKUQBJU-UHFFFAOYSA-N	298.411	5.172	0	20	CKAD	
C[C@@H](Sc1ncncc1-c1ccccc1)c1cccs1	774682133	SSNZBGPHCRYGDY-GFCCVEGCSA-N	298.436	5.058	0	20	CKAD	
c1cc(NCc2cncc3ccccc23)cc(C2CCC2)c1	812447700	UMJJMGZLVHBIGZ-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
C/C=C/c1ccc(Oc2nc3ccccc3s2)c(OC)c1	25370035	BQBNIYGHJMYRHO-ZZXKWVIFSA-N	297.379	5.130	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)s1	41204366	QIIHQUNTKGRFQI-ACJLOTCBSA-N	285.456	5.112	0	20	CKAD	
CC[C@H](NCc1occc1C)c1ccc(Cl)c(Cl)c1	311893326	BAIGQEQWWAVOCN-AWEZNQCLSA-N	298.213	5.136	0	20	CKAD	
CCC[C@H](N[C@@H]1CCCOc2ccccc21)c1ccccc1	360933723	UUNMTONRGHRPDY-RBUKOAKNSA-N	295.426	5.031	0	20	CKAD	
CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1cccc(F)c1	446890764	PBVXBBLIPIPDBA-ACJLOTCBSA-N	287.378	5.096	0	20	CKAD	
Cc1c([C@H](C)Nc2ccc(C3CCC3)cc2)cnn1C(C)C	494479424	XUUOZTZSYUJIEV-AWEZNQCLSA-N	297.446	5.213	0	20	CKAD	
Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1cc2ccccc2o1	815619333	KDTZIEWRTAKCSU-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
Cc1ccc(NCc2csc(-c3ccc(C)cc3)n2)cc1	302596715	GHPKXTJHOMTTBF-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@H](C)c2cccc(Cl)c2F)o1	478668010	BTWLKYIOWVSIRE-NXEZZACHSA-N	299.798	5.331	0	20	CKAD	
CC(C)c1ccc([C@H](C)CC(=O)Nc2ccsc2)cc1	523160121	NCDLCCSVRYSBEX-CYBMUJFWSA-N	287.428	5.004	0	20	CKAD	
Cc1cccc(CNc2ccc(COC3CCCC3)cc2)c1	523518764	QRVVJLOPHDRPBL-UHFFFAOYSA-N	295.426	5.066	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc3cnn(C(C)C)c3c2)s1	538632417	CSRPWNCGSPLFCK-CYBMUJFWSA-N	299.443	5.160	0	20	CKAD	
CSc1ccc(C)c(N[C@@H](C)c2nc3ccccc3o2)c1	539773160	QPISQFSMSQWYAJ-LBPRGKRZSA-N	298.411	5.031	0	20	CKAD	
Cc1cccc(C)c1[C@H](C)N[C@H]1CCSc2ccccc21	546934267	VJXABCLADRRZQT-RDJZCZTQSA-N	297.467	5.191	0	20	CKAD	
CC(C)[C@H](NCc1ccc(Cl)o1)c1ccccc1Cl	604417001	WOPRPMXVZOMKHS-HNNXBMFYSA-N	298.213	5.073	0	20	CKAD	
CC/C(C)=C(\C)C(=O)Nc1c(C(C)C)cccc1C(C)C	779705314	COBXDOKDYAITDD-CCEZHUSRSA-N	287.447	5.618	0	20	CKAD	
C(=C/c1ccccc1)\CSC1=Nc2ccccc2CS1	58235834	GQKLHZBFAUERJU-RMKNXTFCSA-N	297.448	5.368	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sccc21)c1ccc(Cl)cc1	61324945	LLRPMOXQMSZKOP-XHDPSFHLSA-N	291.847	5.130	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)/C=C/c1ccco1	191531241	FEDYVMPBAXOLFG-VAWYXSNFSA-N	297.398	5.007	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1ccccc1F	302947442	LRFZZEDSQHAFQQ-CABCVRRESA-N	293.385	5.391	0	20	CKAD	
C[C@H](N[C@H](C)c1c(F)cccc1Cl)c1ccccc1F	381444811	XEZLSTSAYNXCJX-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC(C)c1ncc(CNc2ccc(C3CCC3)cc2)s1	487149048	AKTNFJMXIFPRJU-UHFFFAOYSA-N	286.444	5.146	0	20	CKAD	
C(=C\c1nc2ccccc2o1)\c1cccc(-c2cccnc2)c1	489724918	BKNMRVJBBNSLIK-KHPPLWFESA-N	298.345	5.060	0	20	CKAD	
CCC[C@@H](Nc1ccc(C)c(OC(C)C)c1)c1cccnc1	494494946	MJYLJXDNHJWKGQ-GOSISDBHSA-N	298.430	5.131	0	20	CKAD	
C[C@@H](SC1=Nc2ccccc2C1)c1c(F)cccc1F	740767190	NEOAKBFJWBCRSE-SNVBAGLBSA-N	289.350	5.045	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc3ccccc3c2)c(C)n1	776783930	ZVSNQXKUTMKHGP-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
CCC(CC)[C@@H](NCc1cccs1)c1ccccc1	37107707	CMRYRTQFMXNSQJ-QGZVFWFLSA-N	273.445	5.015	0	20	CKAD	
C[C@@H](Nc1cccc(C(C)(F)F)c1)c1cccc(F)c1	435942427	MXFPQJXPFFHBKB-LLVKDONJSA-N	279.305	5.111	0	20	CKAD	
Cc1cccc([C@H](C)SCc2ncc(C(C)(C)C)o2)c1	437462026	SPUTUKRJVILQDN-ZDUSSCGKSA-N	289.444	5.275	0	20	CKAD	
CC(C)[C@@H](C)S[C@@H](C)c1ncc(-c2ccccc2)o1	463222323	NIBMCRJKDDVRMW-OLZOCXBDSA-N	275.417	5.180	0	20	CKAD	
CC[C@H](Nc1ccc(CSC)cc1)c1ccc(F)cc1	610008567	NFWPQIOTHSLSAN-KRWDZBQOSA-N	289.419	5.252	0	20	CKAD	
Cc1ccccc1[C@H](N[C@@H](C)c1ccc(Cl)cc1)C1CC1	678996925	GQKRKJDBHUSKIS-IFXJQAMLSA-N	299.845	5.450	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2ccc(C)s2)cc1	36958466	AUJUYOHDKMHKBO-ZIAGYGMSSA-N	273.445	5.031	0	20	CKAD	
CC[C@@H](Nc1ccc(C2CCC2)cc1)c1ccc(F)cn1	494468220	BGLLOUZVKSIEEP-QGZVFWFLSA-N	284.378	5.051	0	20	CKAD	
Cc1ccc([C@H](C)NCc2cc3ccccc3s2)s1	556219611	BDNNITOFMGDNNI-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
Cc1ccccc1-c1cnc(CSc2ccc(F)cc2)o1	572690396	JCFYHRIZJHGEIM-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)cc1C	596895375	ICEHJRNWENHGMS-UHFFFAOYSA-N	297.398	5.162	0	20	CKAD	
CC(C)c1ccc(NCc2ccc(CO)cc2)c(C(C)C)c1	630056415	GKWFMOJLADKTGB-UHFFFAOYSA-N	297.442	5.038	0	20	CKAD	
CCC[C@H](NCc1ccoc1)c1ccc(Cl)c(Cl)c1	733331850	JUCVLLPOFBGMDJ-HNNXBMFYSA-N	298.213	5.217	0	20	CKAD	
CC[C@@H](NCc1ccccc1)c1cccc2ccccc12	887570987	POCSFJMVUODFHK-HXUWFJFHSA-N	275.395	5.081	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccsc1)c1ccccc1	37128505	MUDVDAPPXNGIMZ-INIZCTEOSA-N	273.445	5.015	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2sccc21)c1cc2ccccc2o1	61327271	YXMRLXNEZYPCAP-IUODEOHRSA-N	297.423	5.223	0	20	CKAD	
Cc1ccc(-c2ccc(CNCc3ccccc3)s2)cc1	63507365	NTQAYCSRIUSQNU-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@@H](c1ccccc1)c1ccco1	120366960	SLGDLEJPCHLCRD-UZLBHIALSA-N	291.394	5.028	0	20	CKAD	
C[C@H](N[C@H](CC1CCC1)c1ccccc1)c1cccs1	495421083	NPQCMCXQTPXESE-WMLDXEAASA-N	285.456	5.330	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C	499742235	KAJLUDPUZQMXGR-JSGCOSHPSA-N	293.476	5.260	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](c2ccccc2)C(C)C)c1	540834267	ZNTKBFOVNFDXEK-BEFAXECRSA-N	283.415	5.203	0	20	CKAD	
C[C@@H](SCc1ccc(C(F)(F)F)cn1)c1ccccc1	551003111	FLDQCVBVPKOTET-LLVKDONJSA-N	297.345	5.095	0	20	CKAD	
c1cc(NCc2nccc3ccccc23)cc(C2CCC2)c1	643345809	NZXAGXSMTIQSRX-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
c1ccc2cc(-c3csc(-c4ccncc4)n3)ccc2c1	23623210	CZJFCIXQFVEPLH-UHFFFAOYSA-N	288.375	5.025	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccccc1F	37764411	OUTFOGXAMPPZPX-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
Cc1ccc(C(=O)Nc2ccccc2-c2cccs2)s1	49304535	GXNWRGDPQJGMDW-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
Cc1ccc(C)c(-c2csc(COc3ccccc3)n2)c1	58262768	DLEHJFZMAHRUSO-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc(C)s2)c1	130421453	PQBVQPKGDXXMPI-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1cccs1	130437080	NODLRZPDOVJJQB-ZBFHGGJFSA-N	273.445	5.167	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)c2cccc3ccccc23)cs1	381718007	JJSLUDNFJWQXLN-GJZGRUSLSA-N	295.451	5.622	0	20	CKAD	
C[C@@H](N[C@@H](c1cccs1)C1CC1)c1csc(Cl)c1	468897745	JFXYAVOXBFKPJN-YMTOWFKASA-N	297.876	5.265	0	20	CKAD	
O=C(Nc1cc(-c2ccccc2)ccc1Cl)C1=CCCC1	471422619	ARMGHNUFEPYIEC-UHFFFAOYSA-N	297.785	5.056	0	20	CKAD	
C[C@H](Nc1cccc2ccccc12)c1ccc2c(c1)COC2	538620016	YAKNJZURVAQZSW-AWEZNQCLSA-N	289.378	5.043	0	20	CKAD	
C[C@@H]1CSC(SC(c2ccccc2)c2ccccc2)=N1	760181309	AFYGUZYIRVMFEH-CYBMUJFWSA-N	299.464	5.001	0	20	CKAD	
CCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C	935707773	BDXHYFZBERDUJA-UHFFFAOYSA-N	289.463	5.842	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)s1	21817536	QQUQVCTUJNIIFI-NEPJUHHUSA-N	279.836	5.122	0	20	CKAD	
CC(C)c1nc2cc(N[C@H](C)c3ccsc3)ccc2o1	50343131	IZTYBHRADWDLDG-LLVKDONJSA-N	286.400	5.186	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](C)c2cccc3ccccc23)c1	317253200	PEXBGBPPOUWWAM-IRXDYDNUSA-N	289.422	5.560	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccsc1	443081967	XPTOWDQIEXQOFL-IAQYHMDHSA-N	295.398	5.218	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@@H](c2ccccc2C)C(C)(C)C)c1	467744572	UQQOHKSTWMXSIR-APWZRJJASA-N	296.458	5.136	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2csc(C(C)C)n2)c(C)c1	469785425	BUZXANGCHGXVTA-ZDUSSCGKSA-N	274.433	5.056	0	20	CKAD	
CCCCC(=O)Nc1ccc(C(C)C)cc1C(C)C	512390358	CTHOCHLQRBMCOU-UHFFFAOYSA-N	261.409	5.062	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C1CCC1	517942411	ISBUUWVDVLIBPB-ZWKOTPCHSA-N	299.458	5.137	0	20	CKAD	
CCC(CC)S[C@@H](C)c1ncc(-c2ccccc2)o1	525434338	UKLFWWTVEVWVEJ-LBPRGKRZSA-N	275.417	5.324	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2cc3ccccc3[nH]2)c1C	775632081	GOSMMZBFGAPBGJ-JKSUJKDBSA-N	292.426	5.197	0	20	CKAD	
CC(C)c1ccc(NC(=O)C=C2CCCC2)c(C(C)C)c1	917665921	XQAHXABHSRWBOV-UHFFFAOYSA-N	285.431	5.372	0	20	CKAD	
COCc1cccc(N[C@H](C)c2cc3ccccc3s2)c1	126439257	IFFDGHRTQCBMAU-CYBMUJFWSA-N	297.423	5.221	0	20	CKAD	
CC[C@@H](C)c1ccc([C@@H](NCc2cc[nH]c2)C(C)C)cc1	236896745	HCPSCTMKOWLVID-BEFAXECRSA-N	284.447	5.015	0	20	CKAD	
Cc1cc(C)c(CN[C@@H](C)c2cc3ccccc3o2)c(C)c1	315632364	YAZZGNSFWWTJBM-INIZCTEOSA-N	293.410	5.209	0	20	CKAD	
CCC[C@H](N[C@@H](C)c1csc(C)c1)c1ccccc1	381858285	ZWKOGKOXZUTWEV-YOEHRIQHSA-N	273.445	5.249	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H]2CCCc3sccc32)c1C	468033892	PIQAIQOCINBVMC-RHSMWYFYSA-N	285.456	5.093	0	20	CKAD	
CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1csc(Cl)c1	468789033	BUCICKIIIVOMTQ-WCBMZHEXSA-N	299.789	5.029	0	20	CKAD	
CC[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(C)c1	550894018	BSOBOBKZNHLVMA-UYAOXDASSA-N	295.426	5.062	0	20	CKAD	
Cc1ccc(-c2ccsc2C(=O)Nc2ccsc2)cc1	605367073	NPVJUNLOEMTTRV-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
C[C@H](N[C@H](C)c1c(F)cccc1F)c1ccc(Cl)cc1	19992620	HDLNZHQEFGYVJU-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
CC[C@H](N[C@@H](c1ccccc1)C(C)C)c1cccs1	36967227	YTLRAKWTYUESKO-DOTOQJQBSA-N	273.445	5.186	0	20	CKAD	
Cc1nc(C)c([C@H](C)Nc2cccc3ccccc23)s1	111359359	OJFVCOONJTTWOK-LBPRGKRZSA-N	282.412	5.086	0	20	CKAD	
CCc1c([C@H](C)N[C@H](C)c2ccc(C)o2)oc2ccccc12	195613732	IBZQKHVNYNDJPX-KGLIPLIRSA-N	297.398	5.308	0	20	CKAD	
Cc1ccccc1[C@H](N[C@H](C)c1cccc(O)c1)C(C)(C)C	442797073	WPXPTNUQJBXESJ-BEFAXECRSA-N	297.442	5.139	0	20	CKAD	
CC[C@H](S[C@H](C)c1cnccn1)c1ccc(Cl)cc1	467304641	NUYAQGAEBAWCEC-ABAIWWIYSA-N	292.835	5.076	0	20	CKAD	
O=C(Nc1csc2ccccc12)c1sccc1C1CC1	490289759	QVDCSQVOAMQOOZ-UHFFFAOYSA-N	299.420	5.093	0	20	CKAD	
CC(C)[C@@H](Nc1csc2ccccc12)c1cccnc1	495406455	FXJDAPWBLCZGNP-QGZVFWFLSA-N	282.412	5.106	0	20	CKAD	
CC(C)c1ccc([C@@H](NCc2ccc(O)cc2)C(C)C)cc1	620879193	CDJJQYALFYLSRC-FQEVSTJZSA-N	297.442	5.003	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1cccc(Cl)c1SC(C)C	741573166	XJLCLSWUEYNBON-XFFZJAGNSA-N	297.851	5.135	0	20	CKAD	
CC(C)c1cnc(CSCc2ccccc2C2CC2)o1	786057545	WHFDSKVJURYVAR-UHFFFAOYSA-N	287.428	5.109	0	20	CKAD	
Cc1ccc(C)c(N[C@H](C)c2cnc3ccsc3c2)c1	68690480	WUXGCYXRMWTTDY-CYBMUJFWSA-N	282.412	5.086	0	20	CKAD	
CC(C)[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1	94826587	XDLIYZQPFCCQTA-UGSOOPFHSA-N	289.369	5.013	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1ccccc1F)c1cccs1	163606467	OBRHCAZZHASKGJ-HUUCEWRRSA-N	277.408	5.079	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@H](C)c2csc(Cl)c2)c1C	477922741	RQVMAEDJIUCFBT-VHSXEESVSA-N	297.855	5.051	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(F)cc1)c1ccc(Cl)s1	531712614	OZTMSWRYOAPUAF-MFKMUULPSA-N	297.826	5.343	0	20	CKAD	
CCOCc1ccc(N[C@H](C)c2cc3ccccc3o2)cc1	539653162	MYCSHLWJHLDGDA-CQSZACIVSA-N	295.382	5.142	0	20	CKAD	
CCCN(CCC(F)(F)F)[C@H](C)c1cc2ccccc2o1	607151087	URJWKWQIOJLUOA-GFCCVEGCSA-N	299.336	5.158	0	20	CKAD	
CC[C@H](NCc1cc2ccccc2[nH]1)c1ccc(Cl)cc1	608372981	QWXVOONFEGURPD-KRWDZBQOSA-N	298.817	5.062	0	20	CKAD	
CCC[C@H](N[C@@H]1C[C@H](C)c2c(C)cccc21)c1ccccn1	678115238	WXJMDUAJVMUOPQ-ZYSHUDEJSA-N	294.442	5.069	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(SC)cc1)c1cccs1	36994266	JTKXNXVKVSVOMG-WFASDCNBSA-N	291.485	5.272	0	20	CKAD	
Cc1cccc(C)c1NC(=O)c1ccc(SC(C)C)cc1	54871708	QUJDFNFKXRUSLR-UHFFFAOYSA-N	299.439	5.056	0	20	CKAD	
C[C@H](Nc1ccc2[nH]ccc2c1)c1ccc2ccccc2c1	219865464	VPYQXJBGMFHXHW-AWEZNQCLSA-N	286.378	5.494	0	20	CKAD	
Cc1sc(-c2ccncc2)nc1-c1ccc(C(C)C)cc1	437653559	KIJJOIDFACBYQA-UHFFFAOYSA-N	294.423	5.304	0	20	CKAD	
CCC[C@H](NC1(c2ccc(F)cc2)CC1)c1ccsc1	443091117	HGPXJLWXOLJLHA-INIZCTEOSA-N	289.419	5.007	0	20	CKAD	
Cc1noc(C)c1CS[C@H](C)c1cccc(Cl)c1F	478674396	LCCYHKHURFVLLO-SNVBAGLBSA-N	299.798	5.078	0	20	CKAD	
Cc1cccc(CS[C@H](C)c2ccccc2Cl)n1	584685239	PGJSANWUQVWGDJ-GFCCVEGCSA-N	277.820	5.038	0	20	CKAD	
CC/C=C(\C)C(=O)Nc1c(CCC)cccc1C(C)C	588564689	ZYULSTLDXQBCQK-NTEUORMPSA-N	273.420	5.057	0	20	CKAD	
Cc1cccc(NC(=S)Nc2ccccc2C(C)C)c1C	6968276	OYCRWLUKGAGMMA-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
Oc1cccc(CNc2ccccc2SC2CCCC2)c1	37123475	RNZZRJIHTSVPKG-UHFFFAOYSA-N	299.439	5.039	0	20	CKAD	
c1ccc2c(c1)CCC[C@H]2NCc1csc2ccccc12	49943200	UMWADEOUZWQAQB-GOSISDBHSA-N	293.435	5.069	0	20	CKAD	
CC[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)C	303260272	PECVBVHRSNOPKD-SNVBAGLBSA-N	288.218	5.004	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1ccc(F)cc1F	531969048	LKTCJWWJHUWXDN-XHDPSFHLSA-N	295.398	5.137	0	20	CKAD	
CC[C@@H](N[C@H](CC)c1ccc(Cl)s1)c1cccs1	557248266	YWXRYWVWCBGCFF-GHMZBOCLSA-N	299.892	5.655	0	20	CKAD	
C[C@@H](Nc1nccc2sccc12)c1cc2ccccc2o1	613378066	VMFCTOXNCYZHDG-LLVKDONJSA-N	294.379	5.216	0	20	CKAD	
CCCCCC(C)(C)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	753235624	IMXSRJAVTJGRCL-IRXDYDNUSA-N	285.431	5.011	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc[nH]1)c1cccc(-c2ccccc2)c1	773121407	ZGPBCKSHVFXOAI-HZPDHXFCSA-N	290.410	5.094	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775624236	YZASKQZLMXDVBF-CRAIPNDOSA-N	292.426	5.360	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2ccc(CC)cc2)cc1	16243659	JUTZDVDKGXISRZ-UHFFFAOYSA-N	298.455	5.010	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccccc1	36967387	UHEWMQBIEWYGMZ-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
C[C@H](N[C@@H](C)c1cc2ccccc2s1)c1cccc(F)c1	121982617	PXARYABZGOVWPF-STQMWFEESA-N	299.414	5.452	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1ccccc1F	191531325	OEGLBPMVSYVNJR-UHFFFAOYSA-N	299.389	5.154	0	20	CKAD	
CC[C@@H](N[C@H]1CCSc2ccccc21)c1ccsc1	382097550	IMRAGIQCACHRTB-CABCVRRESA-N	289.469	5.026	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2ccc(C)c(OC(F)F)c2)c1	439601989	CXNHABKCINZJAB-CYBMUJFWSA-N	291.341	5.078	0	20	CKAD	
Cc1sc([C@H]2CCCO2)nc1-c1ccc(C(C)C)cc1	441366722	VHDUAPQTLFVUJL-OAHLLOKOSA-N	287.428	5.093	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](c2cccs2)C2CC2)s1	480271309	ZADHJWIIADRDNT-BDJLRTHQSA-N	291.485	5.174	0	20	CKAD	
CC(C)(C)CCCC(=O)Nc1ccccc1-c1ccccc1	504479637	BOJOAJJZRAUCGH-UHFFFAOYSA-N	295.426	5.509	0	20	CKAD	
Cc1nc2c(s1)[C@H](Nc1cccc3ccccc13)CCC2	539720810	KMQLLGSLRFFGEY-QGZVFWFLSA-N	294.423	5.094	0	20	CKAD	
C[C@H](SCc1ccc(C(F)(F)F)cn1)c1ccccc1	551003114	FLDQCVBVPKOTET-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccsc1)c1cccc(Cl)c1F	669851168	WPFCLZJYFCXCGL-IINYFYTJSA-N	297.826	5.343	0	20	CKAD	
CCC(CC)C(=O)Nc1ccc(SC(C)(C)C)cc1C	751253907	FCGRGTLMRHBLQZ-UHFFFAOYSA-N	293.476	5.260	0	20	CKAD	
CC(C)c1cnc(CSCc2c(F)cccc2Cl)o1	754249450	JXDPXEPRDWWKRE-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
C[C@@H](N[C@H]1CCc2ccccc21)c1csc2ccccc12	765837451	XBLOHNMNLWEZQD-ACJLOTCBSA-N	293.435	5.239	0	20	CKAD	
CCC(CC)[C@H](N[C@@H](C)c1ccco1)c1ccccc1	37107802	SHRQXMGJBKTGFV-KSSFIOAISA-N	271.404	5.108	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H]2CCc3ccc(Cl)cc32)o1	544084540	GLQHFEGMZVXCPE-HZMBPMFUSA-N	293.819	5.118	0	20	CKAD	
CCCCN(C(=O)CCC(C)(C)C)[C@@H](C)c1ccc(C)o1	606170513	AASPHQUGKQMITJ-HNNXBMFYSA-N	293.451	5.104	0	20	CKAD	
Cc1nc(S[C@H](C)c2cccc3ccccc23)oc1C	619715007	RQCVSOICLZFTHW-CYBMUJFWSA-N	283.396	5.298	0	20	CKAD	
Cc1ccc(CCSC2=Nc3ccccc3CS2)cc1	735979354	JPOUSJYPIOEDNZ-UHFFFAOYSA-N	299.464	5.205	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2cc3ccccc3[nH]2)c1	775628546	SHECXLMGWPACGY-CVEARBPZSA-N	292.426	5.197	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1ccc2ccccc2c1	61360769	DRAMQRXWBLTHLV-UONOGXRCSA-N	281.424	5.313	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCc3sc(Cl)cc32)s1	129610555	ZFKWDTPEQLADQK-ONGXEEELSA-N	297.876	5.110	0	20	CKAD	
Clc1cc(Cl)c(C(Cl)(Cl)Cl)c(Cl)c1	136250736	OXOHTICHGYFWNF-UHFFFAOYSA-N	298.811	5.474	0	20	CKAD	
CC(C)c1ccc([C@H](C)Nc2ccc3c(c2)COC3)cc1	313937279	WQMWRZCDUVRLKF-AWEZNQCLSA-N	281.399	5.013	0	20	CKAD	
CCC[C@H](NCc1sccc1Cl)c1ccccc1	394079572	OCPHAYNEDGTVGU-AWEZNQCLSA-N	279.836	5.033	0	20	CKAD	
Cc1cccc([C@@H](C)[S@@](=O)c2ccc3ccccc3c2)c1	475050766	ULLPOFHOSUSBMV-QVKFZJNVSA-N	294.419	5.017	0	20	CKAD	
C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1cccs1	482444748	AGZJYEOSRNONEQ-SJKOYZFVSA-N	289.419	5.079	0	20	CKAD	
Cc1ccsc1C(=O)N(c1ccccc1)C1CCCCC1	498094896	MCLRSDDHVJQVDU-UHFFFAOYSA-N	299.439	5.036	0	20	CKAD	
c1cc(NCc2ccnc3ccccc23)cc(C2CCC2)c1	574335182	IFFZQYKFQXNJCK-UHFFFAOYSA-N	288.394	5.114	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1cc(Cl)cs1	757778993	UKWYDBLGIRIFGE-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)cc1	776776078	FLSDYIRDJGVYBG-JTQLQIEISA-N	295.213	5.057	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)ccc1C)c1cccs1	37103366	UKYFUIUOYURKMN-GDBMZVCRSA-N	273.445	5.167	0	20	CKAD	
CCCc1ccc([C@H](C)N[C@@H](C)c2ccsc2)cc1	61360722	KGFHKJOBUVKBBD-KBPBESRZSA-N	273.445	5.112	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C1CCCCC1)c1ccncc1	120251296	UUFBUWDCOKUIKU-OXJNMPFZSA-N	294.442	5.054	0	20	CKAD	
CC(C)Oc1ccccc1NCc1cccc(C(F)F)c1	131806294	SOTSROVSEKVJCN-UHFFFAOYSA-N	291.341	5.024	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](C)c1cccc(C)c1C	531711716	RAZZCAQGWQHMCL-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
CC[C@@H](Nc1cccc(CC(F)(F)F)c1)c1cccs1	537535370	CVNRNDUQMOHBND-CYBMUJFWSA-N	299.361	5.416	0	20	CKAD	
C[C@H](NCc1coc2ccccc12)c1cccc(C2CC2)c1	559785137	MSCJHBHNFMKUNA-AWEZNQCLSA-N	291.394	5.161	0	20	CKAD	
CC[C@H](C)Oc1ccc(N[C@@H](C)c2ccccc2)cc1	736347916	HOUWOBMCHXSPTL-GJZGRUSLSA-N	269.388	5.037	0	20	CKAD	
C/C=C/C=C\C(=O)Nc1c(C(C)C)cccc1C(C)C	869332091	BQFVCXPXLFRTHA-KWUPLBGHSA-N	271.404	5.004	0	20	CKAD	
c1ccc(NCc2cc(-c3ccccc3)cs2)cc1	38030684	VPYMTYHYJBBJOB-UHFFFAOYSA-N	265.381	5.027	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccsc1	61361556	AHUKBTOHKKXVIG-BZNIZROVSA-N	291.847	5.203	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CC[C@H](C)CC	552190018	UAXNXQJFTBJCNT-OAHLLOKOSA-N	289.463	5.527	0	20	CKAD	
C1CCC(CCc2nnc(SC3CCCCC3)o2)CC1	584245827	SMTFOYRKGDNDRB-UHFFFAOYSA-N	294.464	5.007	0	20	CKAD	
C[C@H](Nc1ccc(Oc2ccccn2)cc1)c1ccccc1	605594733	KJXGOGFCZYLMJV-HNNXBMFYSA-N	290.366	5.047	0	20	CKAD	
C[C@H](SCc1c(Cl)cccc1Cl)c1ccncc1	609782773	QCARNXYYFBFXLG-JTQLQIEISA-N	298.238	5.383	0	20	CKAD	
CC[C@@H](N[C@H]1CCC(F)(F)C1)c1cccc2ccccc12	682138999	PDSCOJFKEMKLIS-WMLDXEAASA-N	289.369	5.068	0	20	CKAD	
Cc1cccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)c1	21514319	LOEWNPRXKOYMAD-GFCCVEGCSA-N	279.305	5.187	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)o1	37280487	OFJUSRYWPVWPDM-KGLIPLIRSA-N	283.371	5.054	0	20	CKAD	
CSc1ccc(N[C@H](C)c2csc(C(C)C)n2)cc1	186448159	ZAXYWRKZAAGNOD-LLVKDONJSA-N	292.473	5.162	0	20	CKAD	
COc1ccccc1S[C@H](C)c1ccc(F)c(Cl)c1	303089148	YTMGRELIUFBAFI-SNVBAGLBSA-N	296.794	5.341	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1csc(C)c1)c1ccccc1	381858281	ZWKOGKOXZUTWEV-RHSMWYFYSA-N	273.445	5.249	0	20	CKAD	
CC[C@@H](C)[C@@H](NCc1occc1C)c1ccc(Cl)cc1	462766369	QWXXMEUTHPYMDZ-SJKOYZFVSA-N	291.822	5.118	0	20	CKAD	
CC(C)[C@H](Nc1cccc(C2CCC2)c1)c1cccnc1	462939531	GFBHFLDEHXFMGY-IBGZPJMESA-N	280.415	5.158	0	20	CKAD	
O=C(C1CCCCCC1)N1CCCCC[C@@H]1c1ccccc1	522377884	HHFLURYXDXUDSY-LJQANCHMSA-N	299.458	5.101	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)c(C)s1	37070841	QGMKNZYXVZCYCA-CHWSQXEVSA-N	299.439	5.523	0	20	CKAD	
CC(C)(C)c1cnc(CSCc2cccc(Cl)c2)o1	61021307	SLWYYUADMSEMSU-UHFFFAOYSA-N	295.835	5.059	0	20	CKAD	
CCc1nc2cc(N[C@H](CC)c3ccsc3)ccc2o1	382075879	DDJLQHHPTJZQOR-CYBMUJFWSA-N	286.400	5.015	0	20	CKAD	
Cc1cccc2c1CC[C@H]2N[C@H](C)c1csc(Cl)c1	530329204	HOLGJOINIBEJSV-IAQYHMDHSA-N	291.847	5.048	0	20	CKAD	
Cc1ccsc1[C@@H](C)NCc1ccc2sccc2c1	554990490	AJKMQDXSAYCQMH-GFCCVEGCSA-N	287.453	5.122	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2csc3ccccc23)o1	776724152	YSMNFZKWRFZPPJ-QWHCGFSZSA-N	299.439	5.469	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cncs1)c1cccc2ccccc12	886790377	BHCRFKGDZDKVTP-CXAGYDPISA-N	296.439	5.098	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1ccncc1)c1ccccc1	37217835	BDBOMNIQNMPZKG-APWZRJJASA-N	282.431	5.054	0	20	CKAD	
CC[C@H](C)[C@H](NCc1occc1C)c1ccc(Cl)cc1	462766368	QWXXMEUTHPYMDZ-SJCJKPOMSA-N	291.822	5.118	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@H](c2ccccc2C)C(C)(C)C)c1	467744575	UQQOHKSTWMXSIR-VQIMIIECSA-N	296.458	5.136	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1C	469785843	FVORWLPDVGUQNN-ZDUSSCGKSA-N	274.433	5.056	0	20	CKAD	
CCC[C@@H](CC)SCc1csc([C@@H](C)OCC)n1	477090887	RMLJCOWSGIFJKY-DGCLKSJQSA-N	287.494	5.053	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](CC)c2ccc(Cl)s2)o1	483137681	VCJBQBWDWKCPEQ-ZYHUDNBSSA-N	297.851	5.359	0	20	CKAD	
C[C@H](Sc1ccc(O)cc1)c1ccc(F)c(Cl)c1	497687522	USFXPEVJRJTJMW-VIFPVBQESA-N	282.767	5.038	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)oc1C	502426350	FVJCXDWAQPWLOF-CHWSQXEVSA-N	283.371	5.054	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](C)c2c(F)cccc2Cl)o1	540187020	DSFSMEZFSAZNFN-GHMZBOCLSA-N	295.785	5.046	0	20	CKAD	
CC[C@H](Nc1cccc(COC)c1)c1ccc(Cl)s1	540738557	ZJAHPWKEHNIYEZ-ZDUSSCGKSA-N	295.835	5.111	0	20	CKAD	
C[C@H](N[C@@H]1CCc2c(F)cccc21)c1cccc(C2CC2)c1	559743464	QPQGKZNWIOKTBI-RNODOKPDSA-N	295.401	5.041	0	20	CKAD	
CC(C)c1ccc(S[C@@H](C)c2ccncc2)cc1	619950686	HZFUKSWZIGVBLD-ZDUSSCGKSA-N	257.402	5.058	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(-c2ccccc2)o1)c1ccsc1	669850957	QASYHZKGYKNPRD-ZIAGYGMSSA-N	297.423	5.420	0	20	CKAD	
CCCCC[C@H](CC)C(=O)N1CCC[C@H]1c1cccs1	775641688	ASBSSWFEIIMYJA-GJZGRUSLSA-N	293.476	5.018	0	20	CKAD	
C[C@H](CCCC(F)(F)F)N[C@H](C)c1ccc(Cl)cc1	163215584	YAQFKTGFTGVBJC-GHMZBOCLSA-N	293.760	5.112	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc(C)sc2C)cs1	381487956	PHMHDHCKUMNDQV-NWDGAFQWSA-N	279.474	5.147	0	20	CKAD	
CCCCN(C(=O)c1cc2sccc2s1)[C@@H](C)CC	517383561	QAIDTLJPPKIMBI-NSHDSACASA-N	295.473	5.004	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(C)c1C)c1ccccc1	522383732	MMVULKKHOMYWEM-APWZRJJASA-N	267.416	5.105	0	20	CKAD	
CCOc1ccc(N[C@H](C)c2cccc(F)c2)cc1Cl	37773309	DXHXCBUBNIDLLQ-LLVKDONJSA-N	293.769	5.051	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1ccc(C(C)C)cc1	70092030	FRCMTCGWOFQJGT-AWEZNQCLSA-N	273.445	5.031	0	20	CKAD	
Cc1ccc(CC(=O)Nc2c(C(C)C)cccc2C(C)C)o1	96656192	FYRBNIHUOYWOSC-UHFFFAOYSA-N	299.414	5.016	0	20	CKAD	
C[C@H](Sc1ccc(F)cc1)c1ncc(-c2ccccc2)o1	303679742	ISOJRFOLQJLLGY-LBPRGKRZSA-N	299.370	5.334	0	20	CKAD	
CC[C@H](N[C@@H]1C[C@H](C)c2ccccc21)c1cccs1	311420501	KNYKACCRYDWRED-VBNZEHGJSA-N	271.429	5.037	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cc2ccccc2o1	539044420	LRCUMMJYWVNDMQ-KSSFIOAISA-N	291.394	5.079	0	20	CKAD	
CC[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12	641936430	NLCOXLJIQKIAEO-CYBMUJFWSA-N	294.423	5.187	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cccc(C2CC2)c1)c1ccccn1	645405601	YQYHLJLXKHNEDV-QRWLVFNGSA-N	294.442	5.151	0	20	CKAD	
Cc1nc([C@H](C)Nc2ccccc2C(C)(F)F)c(C)s1	648719493	OBLLCIUEMJLKMI-VIFPVBQESA-N	296.386	5.045	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1cscn1)c1ccccc1	697866226	PQCGHSZQYLMJLK-ZBFHGGJFSA-N	288.460	5.115	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)C(C)=C(C)C)c(C)c1	751200169	NEQCRXYUTCEXDD-ZDUSSCGKSA-N	291.460	5.180	0	20	CKAD	
CCCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	5614711	UBAQJTLLDCLABD-UHFFFAOYSA-N	294.609	5.166	0	20	CKAD	
Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)c(C)n1C(C)C	15509277	IWQOWBYSXOFYCD-UHFFFAOYSA-N	298.430	5.062	0	20	CKAD	
C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)c1ccccn1	120325363	URTAGZLCFLRHHY-JXFKEZNVSA-N	294.442	5.054	0	20	CKAD	
O=C(/C=C\c1cccc(Cl)c1Cl)c1ccccc1F	211732932	GXYUXMDGIXPUQG-HJWRWDBZSA-N	295.140	5.029	0	20	CKAD	
COCc1ccc(N[C@H](C)c2cc3ccccc3s2)cc1	384972674	HQZOJGOBDQKSRY-CYBMUJFWSA-N	297.423	5.221	0	20	CKAD	
CCC[C@H](CC)S[C@@H](C)c1nnc(-c2ccccc2)o1	477043651	AEGWQQNJBDEZBA-JSGCOSHPSA-N	290.432	5.110	0	20	CKAD	
C[C@H](SCc1csc(C2CC2)n1)c1ccccc1	534681559	GGLVLLCTOWSABH-NSHDSACASA-N	275.442	5.015	0	20	CKAD	
CSCc1cccc(N[C@@H](C)c2ccc(F)c(F)c2)c1	539735551	GUJNCOQNYKBVQK-NSHDSACASA-N	293.382	5.001	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)Nc1ccc(C2CC2)cc1	681395291	BCCKUAISERXBEX-NSHDSACASA-N	271.326	5.097	0	20	CKAD	
C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1Cl	21011788	KSWSMNNWUIRXRX-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CC(C)c1ccc(SCc2ccc(Cl)nc2)cc1	21796001	DJHTWNLNUWSCMJ-UHFFFAOYSA-N	277.820	5.151	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc2c(c1)CCC2)c1cccs1	49529278	FBWRVPKCEAIRFL-DYVFJYSZSA-N	285.456	5.039	0	20	CKAD	
Cc1ccc(NCc2cc3ccccc3nc2Cl)cc1C	106981735	MBRQDMJUXDVDHD-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccccc1F	147131775	PPBSNOMWNZBCML-VURMDHGXSA-N	295.140	5.029	0	20	CKAD	
CCCCCc1ccc(N[C@@H](C)c2cscn2)cc1	164992375	LFFWDAFUZLVKNY-ZDUSSCGKSA-N	274.433	5.049	0	20	CKAD	
CC[C@@H](Nc1ccc(C)c(-c2ncco2)c1)c1cccs1	180004895	RPGIDOBHLAUMEJ-OAHLLOKOSA-N	298.411	5.275	0	20	CKAD	
CC(C)(C)OC(=O)n1cccc1-c1ccc(C(C)(C)C)cc1	199974091	RYUHOVVWODURNI-UHFFFAOYSA-N	299.414	5.236	0	20	CKAD	
FC(F)(F)Cc1ccc(NCc2ccccc2Cl)cc1	462241814	CCIMPKIUSNRFFO-UHFFFAOYSA-N	299.723	5.057	0	20	CKAD	
C[C@H](Nc1nccc2occc12)c1cccc2ccccc12	462923267	ADMUEQSJUVFQQH-ZDUSSCGKSA-N	288.350	5.154	0	20	CKAD	
Cc1cccnc1[C@@H](N[C@@H](C)c1cccc(C)c1C)C(C)C	483154703	LABATTGHFFVUQG-HKUYNNGSSA-N	296.458	5.055	0	20	CKAD	
CCCCN(CCCC)C(=O)c1cc2sccc2s1	518216781	QUNTZAYJGUHJCL-UHFFFAOYSA-N	295.473	5.005	0	20	CKAD	
CCc1ccc(CN[C@H](CC)c2ccc(Cl)s2)s1	524429176	NLTAGFKIRNFOJB-GFCCVEGCSA-N	299.892	5.266	0	20	CKAD	
CCOCc1cccc(N[C@@H](C)c2cccc(Cl)c2)c1	532459181	OQGNRKWPRRWQCM-ZDUSSCGKSA-N	289.806	5.050	0	20	CKAD	
CCCSCC(=O)Nc1ccc(C(C)C)cc1C(C)C	603959396	DVDDGYJDZNATRM-UHFFFAOYSA-N	293.476	5.015	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H](CC2CC2)c2ccccc2)oc1C	669702538	ONNIWDIXKPNLLX-RDTXWAMCSA-N	283.415	5.088	0	20	CKAD	
c1cncc(-c2csc(-c3cccc4ccccc34)n2)c1	679182079	ACZGAFTVUTWKLG-UHFFFAOYSA-N	288.375	5.025	0	20	CKAD	
Cc1ccc(CNCc2ccccc2-c2ccccc2)s1	917395554	QFVKOUYAOJKQKO-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1	19987425	RTYNCRUNKHSHJL-VXGBXAGGSA-N	294.225	5.405	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc(OC(C)C)cc1	70090144	XVHRWLVZCCVFLY-CYBMUJFWSA-N	275.417	5.017	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1csc(C)c1)c1ccc(C)cc1	394445526	FENGUTUIHTXJJL-WMLDXEAASA-N	273.445	5.167	0	20	CKAD	
CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1cc2ccccc2o1	437098721	PEHKIAMNQZZJAI-AAEUAGOBSA-N	299.336	5.060	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1cc(C)c(C)o1	502490847	ZVLSHYZGFCDNOF-STQMWFEESA-N	289.444	5.030	0	20	CKAD	
CCC(CC)[C@H](NCc1ccc(C)s1)c1cccs1	517547831	VCXFDWFRXXHKKS-INIZCTEOSA-N	293.501	5.385	0	20	CKAD	
Cc1nc(C)c(CSc2ccc3ccccc3c2)s1	525110357	GPVAITCBXUCCLY-UHFFFAOYSA-N	285.437	5.205	0	20	CKAD	
CC[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccc(Cl)s1	536848120	XSLVEAZEQKAJGV-NXEZZACHSA-N	293.810	5.020	0	20	CKAD	
CC[C@@H](CC(F)(F)F)N[C@@H](C)c1oc2ccccc2c1C	546870822	SFRWFMSHUKNLKP-RYUDHWBXSA-N	299.336	5.123	0	20	CKAD	
Cc1ncsc1CS[C@@H](C)c1ccccc1Cl	562039279	YSGRFSSIXDQCJU-JTQLQIEISA-N	283.849	5.099	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1cccc(C2CC2)c1	571104964	YZUIPKRDOSMTPD-UHFFFAOYSA-N	293.410	5.248	0	20	CKAD	
CCCCN(C(=O)Nc1ccccc1)[C@@H](C)c1ccccc1	613387414	FTSORJNUPWAVLQ-INIZCTEOSA-N	296.414	5.082	0	20	CKAD	
Cc1cccc(SCc2coc(-c3ccc(F)cc3)n2)c1	620680141	GIMHTSWSQFPYCA-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
CC(=C/c1ccccc1)/C=C(/Cl)c1nc2ccccc2o1	750901345	DSECBMGOHLVZEI-OWTZWGKBSA-N	295.769	5.511	0	20	CKAD	
CCC(C)(C)c1ccc(NCc2ncc(C(C)C)o2)cc1	790337412	IPAKXKAFKIOGQK-UHFFFAOYSA-N	286.419	5.098	0	20	CKAD	
C[C@H](Sc1nc(-c2ccccc2)cs1)c1cccnc1	918715065	ZUQCQPSBXGWCLY-LBPRGKRZSA-N	298.436	5.058	0	20	CKAD	
CC[C@H](C)[C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1	7610127	PBBPAYUUZQHDGX-KXBFYZLASA-N	295.426	5.072	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccsc1	61361553	AHUKBTOHKKXVIG-MEDUHNTESA-N	291.847	5.203	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1ccccc1SC1CCCC1	303483655	JNKNHGXYVQSBMK-CYBMUJFWSA-N	291.460	5.096	0	20	CKAD	
CCCCN(C(=O)[C@@H]1CC=CCC1)[C@H](CC)c1ccccc1	303624023	XLAYCMOIXHGNHN-RTBURBONSA-N	299.458	5.123	0	20	CKAD	
CC[C@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1	315932046	VVYSGVBTUDRMFX-FQEVSTJZSA-N	294.442	5.240	0	20	CKAD	
CCC[C@@H](N[C@@H](CC)c1cccs1)c1ccsc1	443094466	PBBZAUGJCACCIK-UONOGXRCSA-N	279.474	5.392	0	20	CKAD	
CC[C@H](CC1CCCC1)C(=O)Nc1cc2[nH]ccc2cc1C	444448027	JLIROOHGXKCJQP-OAHLLOKOSA-N	298.430	5.021	0	20	CKAD	
Cc1cc([C@@H](C)Nc2ccc3nc(C4CC4)oc3c2)oc1C	502409372	RFCQWZITLAFINF-LLVKDONJSA-N	296.370	5.088	0	20	CKAD	
CCc1cnc(CNc2c(C(C)C)cccc2C(C)C)o1	530489487	JACIBGMWRPJSCI-UHFFFAOYSA-N	286.419	5.096	0	20	CKAD	
CCCc1ccc([C@H](N[C@@H](C)c2cccnc2)C(C)C)cc1	533547446	FZBLEIHVLYHIHQ-OXJNMPFZSA-N	296.458	5.082	0	20	CKAD	
CCCC(CCC)S[C@@H]1CCO[C@H](c2cccnc2)C1	600521820	VQQUCLHDRFYECU-SJORKVTESA-N	293.476	5.004	0	20	CKAD	
C[C@@H](NCc1ccco1)c1cc2c(ccc3ccccc32)o1	181393154	JRFHYIZGTMQRMC-CYBMUJFWSA-N	291.350	5.030	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1C=CCC1	191551930	UWFATXCYYYIGMD-OAHLLOKOSA-N	285.431	5.057	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2csc(Cl)c2)cc1	230408168	UCBMUSNSDFPIMM-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
FC(F)c1csc(-c2ccc(Cl)c(Cl)c2)n1	507694967	RJODLXUHRBIINO-UHFFFAOYSA-N	280.126	5.055	0	20	CKAD	
Cc1c([C@@H](N[C@H](C)c2ccoc2)C(C)C)oc2ccccc12	531715141	PABYLQNMURITPA-KDOFPFPSSA-N	297.398	5.382	0	20	CKAD	
CC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1ccc(C)cc1	560573730	IRKWSKJAVDCQLD-LJQANCHMSA-N	292.426	5.026	0	20	CKAD	
CSc1ccccc1[C@@H](C)NCc1ccccc1C1CC1	669685671	BHXJMYCUJHORKX-CQSZACIVSA-N	297.467	5.137	0	20	CKAD	
Cc1cccc(NC(=S)Nc2ccc(C(C)C)cc2)c1C	6968191	GIZCQMFEWXEETO-UHFFFAOYSA-N	298.455	5.236	0	20	CKAD	
CC(C)c1ccc(SCc2cccnc2Cl)cc1	52727520	QGOIEYLIXGLWGB-UHFFFAOYSA-N	277.820	5.151	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@H](C)c2cc3ccccc3s2)c1	285994983	IHLWMBJWVRVUBQ-UONOGXRCSA-N	296.439	5.017	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)c2oc3ccccc3c2C)o1	477858719	MBUSSIUIBKDZRO-KBPBESRZSA-N	297.398	5.308	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3s2)oc1C	502433854	JFFFSIHUXXWZHN-QWHCGFSZSA-N	299.439	5.523	0	20	CKAD	
Cc1ccc2oc(CN[C@H](C)c3ccc(C)c(C)c3)cc2c1	583534253	GEZBHRZSBPJDKP-MRXNPFEDSA-N	293.410	5.209	0	20	CKAD	
CC[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1F	606468008	SFBBBVFPCUBIOY-MRXNPFEDSA-N	286.325	5.009	0	20	CKAD	
CC(C)C[C@@H](NCc1cc2ccccc2[nH]1)c1ccccc1	674048489	STNNINIDYAZCLB-HXUWFJFHSA-N	292.426	5.045	0	20	CKAD	
CCC[C@H](N[C@H](CC)c1ccc(CC)cc1)c1ccccn1	675815633	DBQNQCQUUFEROP-QUCCMNQESA-N	296.458	5.226	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)Nc1ccccc1OC(C)C	741900152	DCJBGUYTYGVHPM-OAHLLOKOSA-N	291.435	5.019	0	20	CKAD	
C[C@@H](Nc1cccc(CC(F)(F)F)c1)c1cccs1	179635346	VASUZJRWRRYRHC-SNVBAGLBSA-N	285.334	5.026	0	20	CKAD	
CC[C@H](C)C[C@H](C)NC(=O)Nc1c(C)cccc1C(C)C	466165930	IPBOWENRZMELPL-ZFWWWQNUSA-N	290.451	5.065	0	20	CKAD	
Cc1ccsc1CN[C@H](c1ccccc1Cl)C(C)C	523738756	LKXBUOANODKYIH-INIZCTEOSA-N	293.863	5.197	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2cc(C)ccc2C)c1	537533606	OONPUONZEGAURI-HOTGVXAUSA-N	283.415	5.184	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@H](C)c2ccco2)c(C(C)C)c1	607465409	QIQDSDQACWUPCU-CQSZACIVSA-N	299.414	5.269	0	20	CKAD	
C[C@H](SCc1cccc2ccccc12)c1ccncc1	609782811	WUZMEVXYOMAMBL-AWEZNQCLSA-N	279.408	5.229	0	20	CKAD	
c1ccc2sc(CNc3nccc4sccc34)cc2c1	620231002	ZEXXVZPRRKSCGQ-UHFFFAOYSA-N	296.420	5.123	0	20	CKAD	
CC(C)c1cnc(CSCc2ccc(F)cc2Cl)o1	754250065	SSQOWURFXJSTMH-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
CC(C)(C)Nc1ccccc1NCCCc1ccsc1	766134262	YHQONQTVCQRATI-UHFFFAOYSA-N	288.460	5.003	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](C)c2csc3ccccc23)o1	776724151	YSMNFZKWRFZPPJ-OLZOCXBDSA-N	299.439	5.469	0	20	CKAD	
FC(F)c1cccc(CSC2=Nc3ccccc3C2)c1	794431063	GHVLTSPEOFJTPI-UHFFFAOYSA-N	289.350	5.144	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CCC1CCCCC1	6318157	CGTABIHSLXTQSX-UHFFFAOYSA-N	287.447	5.417	0	20	CKAD	
CCc1ccccc1N[C@@H](C)c1cnc2ccsc2c1	68690459	MXAHYUXISRNBGT-LBPRGKRZSA-N	282.412	5.032	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2occc21)c1ccc2ccccc2c1	386240882	SMBGWCBRPNWVGM-KUHUBIRLSA-N	291.394	5.161	0	20	CKAD	
Cc1csc(CSc2ccc(Cl)c(Cl)c2)n1	477535526	FWNJCTIZLKATKH-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)o1	477858720	MBUSSIUIBKDZRO-KGLIPLIRSA-N	297.398	5.308	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)c2ccccc2)c(C)c1	499805227	VYFVIADOWULILS-CQSZACIVSA-N	299.439	5.138	0	20	CKAD	
CCCCS[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC	514067792	VDJKMZQAUFJABK-UONOGXRCSA-N	293.476	5.060	0	20	CKAD	
Cc1nc(C)c(CSc2ccc(C(C)C)cc2)s1	525624367	VDUGKROCTUJXIW-UHFFFAOYSA-N	277.458	5.176	0	20	CKAD	
CCCC[C@H](CC)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	526028265	ZNKIKKVJJRSNPG-WBAXXEDZSA-N	285.431	5.011	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2cccc(N3CCCCCC3)c2)o1	540837178	BXAFFUAQYJNYBC-MRXNPFEDSA-N	298.430	5.142	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)c2ccccc12)c1cccs1	550612580	OBESCPFIJGCUCD-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
CC(C)(C)C[C@H](NCc1ccsc1)c1ccc(F)cc1	642630420	ARODRWUJGPDENM-INIZCTEOSA-N	291.435	5.154	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H]2CCCc3ccc(F)cc32)c1	679144418	DEDCMBRGDBTTJE-ORAYPTAESA-N	299.389	5.023	0	20	CKAD	
Cc1ccc(CN[C@H](C)c2csc3ccccc23)c(C)c1	730019044	DHEUWHVSTGPATE-OAHLLOKOSA-N	295.451	5.369	0	20	CKAD	
CCCc1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1	16243655	ZEEGYWRHCLRUPH-UHFFFAOYSA-N	298.455	5.065	0	20	CKAD	
CC(C)c1ccc(NC(=O)C2CCCC2)c(C(C)C)c1	27139069	VWNAWBMGGDYZFE-UHFFFAOYSA-N	273.420	5.062	0	20	CKAD	
CC(C)c1ccccc1NCc1nc2ccccc2s1	37978427	BXWVYXYCDAQOQO-UHFFFAOYSA-N	282.412	5.032	0	20	CKAD	
C[C@H](S[C@@H](C)c1cccc2ccccc12)c1cnccn1	545942426	KNCJGSLVVUMIRO-KBPBESRZSA-N	294.423	5.185	0	20	CKAD	
COCc1cccc(N[C@@H](CCC(C)C)c2ccoc2)c1	560546429	SCKBDRLIYXCBKX-SFHVURJKSA-N	287.403	5.015	0	20	CKAD	
CC[C@H](C)[C@@H](C)Nc1cccc(C2SCCS2)c1	777233618	BORJAQCJNBRUSF-NWDGAFQWSA-N	281.490	5.012	0	20	CKAD	
CCC[C@@H](NCc1cc(Cl)cs1)c1ccccc1	93094065	AXVONRRFCACXAX-OAHLLOKOSA-N	279.836	5.033	0	20	CKAD	
CCO[C@H](C)c1nc(-c2ccc(C(C)C)cc2)c(C)s1	437656384	OAUGEQINUAVONQ-GFCCVEGCSA-N	289.444	5.339	0	20	CKAD	
Cc1cc(C)c(CNc2cccc(COC(C)C)c2)c(C)c1	522283460	JKDXFEMOCPXFOK-UHFFFAOYSA-N	297.442	5.149	0	20	CKAD	
C[C@@H]1CC[C@@H](N[C@H](C)c2ccsc2)c2sccc21	651343740	RDNAPGUQQNTQPO-JTNHKYCSSA-N	277.458	5.099	0	20	CKAD	
C[C@H](Nc1ccc(C2CC2)cc1)c1nccc2ccccc12	685653270	DNHJVUHLIICDSV-AWEZNQCLSA-N	288.394	5.285	0	20	CKAD	
Cc1ccsc1/C=C(/Cl)c1nc2ccccc2s1	810236059	XZWYHBKOCPOSAK-CSKARUKUSA-N	291.828	5.403	0	20	CKAD	
CCC(C)(C)C(=O)Nc1cccc(CSC(C)C)c1C	460249453	AHHGDUYLVWMZOC-UHFFFAOYSA-N	293.476	5.011	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CCC1CCC1	486657950	OEEHTUNOZFXCFD-UHFFFAOYSA-N	287.447	5.452	0	20	CKAD	
Clc1ccc(CSc2cccc3cccnc23)s1	491376857	YCMPBEKPVIFBQC-UHFFFAOYSA-N	291.828	5.242	0	20	CKAD	
CC(C)(C)c1ccc(CNC(C)(C)c2cccs2)cc1	523976684	UWZXGDLQOPBUJA-UHFFFAOYSA-N	287.472	5.071	0	20	CKAD	
C[C@H](Nc1ccc(C(C)(C)C)cc1)c1nc2ccccc2o1	558327885	HQKJMLVQOJXQRA-ZDUSSCGKSA-N	294.398	5.298	0	20	CKAD	
CCCCC[C@@](C)(CC)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	780775022	ADUWBGUGCDTWAC-CMKODMSKSA-N	299.458	5.401	0	20	CKAD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(C)s2)c1	130421680	PQBVQPKGDXXMPI-HUUCEWRRSA-N	273.445	5.085	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	248291141	TUHMJAJHKXUVMQ-SSDOTTSWSA-N	294.609	5.022	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2occc21)c1cccc2ccccc12	314354312	LVCJPGRLPZHWOZ-KUHUBIRLSA-N	291.394	5.161	0	20	CKAD	
CC(C)c1nc2cc(N[C@@H](C)c3ccc(F)cc3)ccc2o1	315773164	UFRBEHWSPWVUJF-LBPRGKRZSA-N	298.361	5.263	0	20	CKAD	
CC[C@H](N[C@@H]1C[C@H](C(C)C)c2ccccc21)c1ccncc1	447542774	POKJDPBNINRGNJ-HSALFYBXSA-N	294.442	5.007	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(OC(C)(C)C)cc1)c1ccccc1	462805341	DSICSEMSRRUMBS-JKSUJKDBSA-N	297.442	5.276	0	20	CKAD	
Cc1c([C@@H](NCc2ccccc2)C(C)C)oc2ccccc12	482160052	RIKBDMHSOJIOHN-IBGZPJMESA-N	293.410	5.228	0	20	CKAD	
CC(F)(F)c1cccc(NCc2sccc2Cl)c1	487539911	ONJNKMPYMPVIBB-UHFFFAOYSA-N	287.762	5.125	0	20	CKAD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1cscn1	539739900	CXXPYLXVVNWEHB-NSHDSACASA-N	286.425	5.045	0	20	CKAD	
CC[C@H](NCc1ccsc1C)c1ccc(Cl)s1	569254120	YLDABJNUPFOIHH-NSHDSACASA-N	285.865	5.012	0	20	CKAD	
CCC(CC)N(CC)C(=O)Nc1ccccc1C(C)(C)C	685063164	SQALKQVPCPHPGZ-UHFFFAOYSA-N	290.451	5.027	0	20	CKAD	
Cc1cccc([C@H](C)SC2=Nc3ccccc3CS2)c1	742451701	XZEXIULICLUZON-ZDUSSCGKSA-N	299.464	5.724	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1nccs1)c1cccc2ccccc12	886791000	UEBMASVBXXQMBX-SUMWQHHRSA-N	296.439	5.098	0	20	CKAD	
Cc1c(C(=O)Nc2cccc(C(C)C)c2)oc2ccccc12	14597631	JBVCYYURHCWBNP-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
Cc1ccc(CNCc2ccc(-c3ccccc3)s2)s1	48068629	MWGDSBFAFCKEFU-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccsc1	61360670	CRQWMOJNOMGBRU-GHMZBOCLSA-N	299.361	5.179	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(C(C)(F)F)cc2)cs1	453243103	RDJJPGGHWMNUGW-GFCCVEGCSA-N	295.398	5.019	0	20	CKAD	
Cc1ccccc1[C@H](NCc1cc2ccccc2o1)C(C)C	482170762	RXFMRLYVWYMIGH-HXUWFJFHSA-N	293.410	5.228	0	20	CKAD	
Cc1ccc(SCc2ncc(-c3ccccc3F)o2)cc1	525110199	WLNFFFCXZFLUAC-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
Cc1cccc([C@@H](C)C(=O)Nc2ccccc2C(C)(C)C)c1	565682707	IAORRNSCFUVFSP-OAHLLOKOSA-N	295.426	5.035	0	20	CKAD	
C[C@H](SCc1ccccc1)c1ncc(-c2ccccc2)o1	609831260	PFYQBOQFDUEMAB-AWEZNQCLSA-N	295.407	5.336	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1	623850865	UFAUCXXRHHQMNS-JYJNAYRXSA-N	282.431	5.007	0	20	CKAD	
FCc1ccc(CNc2cccc(C(F)F)c2Cl)cc1	758125198	AGQGXVZZEUFMAU-UHFFFAOYSA-N	299.723	5.359	0	20	CKAD	
Cc1ccccc1SCc1nc(-c2ccccc2)oc1C	60430493	XMIFZNKZGCPBID-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1sccc1C)c1ccc(C)cc1	70090920	OPVKBXJRYLDXOT-GOEBONIOSA-N	273.445	5.167	0	20	CKAD	
CCCOc1ccc(NCc2cccc(C(F)F)c2)cc1	131840488	MUEQPUYRPIYPJN-UHFFFAOYSA-N	291.341	5.025	0	20	CKAD	
CCc1ccccc1NC(=O)C[C@@H](CC)c1ccc(C)cc1	303777702	KHHSDIQRBDMHOV-QGZVFWFLSA-N	295.426	5.080	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C)cc1	442716067	NVDVBYZFJXQRQM-HUUCEWRRSA-N	285.456	5.129	0	20	CKAD	
CC(C)C[C@@H](NCCCCOC(C)(C)C)c1cccs1	475325259	KTUVLNOQFJYGDF-OAHLLOKOSA-N	297.508	5.020	0	20	CKAD	
Cc1ccccc1[C@@H](N[C@H](C)c1cccs1)C(C)C	483114659	UPHNSJXOGQPEBM-PBHICJAKSA-N	273.445	5.104	0	20	CKAD	
CCCN(CCC)C(=O)Nc1ccccc1-c1ccccc1	515228497	JFYKQUIVTBPVPV-UHFFFAOYSA-N	296.414	5.008	0	20	CKAD	
C[C@H](Sc1ccncc1)c1cccc2ccccc12	533447641	KJBIJPJBRUSPIQ-ZDUSSCGKSA-N	265.381	5.088	0	20	CKAD	
Cc1ccc(SCc2ncc(-c3cccs3)o2)cc1	597125581	FUNGJSSIWQABIC-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CCCCCN(C(=O)[C@@H](C)c1ccsc1)[C@H](C)CCC	606183602	HNHLLPMIOMYXLK-CABCVRRESA-N	295.492	5.059	0	20	CKAD	
CCCCCC[C@H](C)NC(=O)Nc1cccc(C(F)F)c1	726080986	XQHLGCFMJLMDBK-LBPRGKRZSA-N	298.377	5.105	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1cc2ccccc2[nH]1)c1ccccc1	775623432	QCYIHVSDVLTHJU-FOIQADDNSA-N	292.426	5.216	0	20	CKAD	
C[C@H]1C[C@@H]1c1ccc(CNc2ccccc2NC(C)(C)C)o1	798500408	NSEBFHCVLWDQGR-ZFWWWQNUSA-N	298.430	5.226	0	20	CKAD	
Cc1ccc(C[C@@H](C)N[C@H](C)c2cc(C)sc2C)s1	80241152	MZZITGKSMFCDNH-ZWNOBZJWSA-N	293.501	5.017	0	20	CKAD	
C[C@H]1C[C@@H]1c1ccc(CNc2cccc(C(C)(F)F)c2)o1	436413709	UNYHDTLHOYGZGV-NHYWBVRUSA-N	291.341	5.127	0	20	CKAD	
CCCCN(CCCC)C(=O)Nc1ccc(C)cc1Cl	515376965	WFQQXFIXVQPAHY-UHFFFAOYSA-N	296.842	5.083	0	20	CKAD	
c1csc([C@@H](NCc2csc3ccccc23)C2CC2)c1	521822733	JWIPQHLSIBKEOQ-KRWDZBQOSA-N	299.464	5.204	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CC(C)(C)Cc3occc32)s1	765305805	RCSVYVCMGBYVIJ-JSGCOSHPSA-N	289.444	5.014	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2ccccc2C(F)(F)F)c1	21809469	LPKILJFOKRNHJF-LBPRGKRZSA-N	279.305	5.187	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ccncc1	177368957	ODDHDAWWAMJSHG-FOIQADDNSA-N	290.410	5.037	0	20	CKAD	
c1ccc(-c2csc(CSc3cccs3)n2)cc1	436202438	LDOFZROHMLLYJK-UHFFFAOYSA-N	289.450	5.164	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2cccc(C)c2C)c1	540833004	NUVLCCGBDFVECV-HOTGVXAUSA-N	283.415	5.184	0	20	CKAD	
CC1CCC(=CC(=O)Nc2cc(Cl)ccc2Cl)CC1	734099437	RRTWMYIURLDKHN-UHFFFAOYSA-N	298.213	5.068	0	20	CKAD	
Cc1cc([C@H](C)NCc2ccc(Cl)c(Cl)c2)c(C)o1	44729279	JYTZAHRIZLXUFM-JTQLQIEISA-N	298.213	5.054	0	20	CKAD	
C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccsc1	136966172	QFQQHZYXIYNWLO-IIYDPXPESA-N	271.429	5.037	0	20	CKAD	
CSc1cccc(N[C@H](C)c2ccc3ccccc3n2)c1	182689054	WCYKKJZFAKVXCU-CYBMUJFWSA-N	294.423	5.130	0	20	CKAD	
Cc1ccc2cc(CNc3cccc(C(F)F)c3)ccc2n1	189394647	SZXMXWWPCXFABB-UHFFFAOYSA-N	298.336	5.093	0	20	CKAD	
CSc1ccc([C@H](C)N[C@H]2C[C@H](C)c3ccccc32)cc1	313998440	YWOHGYDZINUVHI-NJSLBKSFSA-N	297.467	5.308	0	20	CKAD	
C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(F)cc1	315412570	IULHBMWSVUIZLS-NSHDSACASA-N	296.345	5.017	0	20	CKAD	
CCSc1ccccc1[C@@H](C)NCc1cscc1C	494475422	MCFPZGQEGPVNHQ-CYBMUJFWSA-N	291.485	5.019	0	20	CKAD	
CCC(CC)CN(CC)C(=O)Nc1cccc2ccccc12	515782870	YLPLLGFAXSHMIW-UHFFFAOYSA-N	298.430	5.130	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccc1Cl)c1cccs1	20545565	JKNYVQCCEDUBGL-SMDDNHRTSA-N	279.836	5.203	0	20	CKAD	
CSc1ccccc1NCc1cccc2ccccc12	35040616	DGYUMXOBZORNHK-UHFFFAOYSA-N	279.408	5.174	0	20	CKAD	
Cc1ccccc1CNCc1cc(-c2ccccc2)cs1	38030856	YKMRYNUEPGNXFF-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(OC(C)C)cc1)c1ccccc1	387353713	YVFRRTRNJHFZNK-OXQOHEQNSA-N	297.442	5.276	0	20	CKAD	
CCc1nc(CSCc2cccc(C(F)F)c2)cs1	479609895	HLTFJCBLNDUPFA-UHFFFAOYSA-N	299.411	5.077	0	20	CKAD	
C(=C/c1nc2ccccc2o1)\c1cccc(-c2cccnc2)c1	489724919	BKNMRVJBBNSLIK-ZHACJKMWSA-N	298.345	5.060	0	20	CKAD	
CSCc1cccc(N[C@@H](C)c2ccc(C)s2)c1	537531546	RSSFIKGYCSCEDA-LBPRGKRZSA-N	277.458	5.093	0	20	CKAD	
CC(C)c1nc(CS[C@@H](C)c2ccccc2)cs1	604049218	SASZHJGXKFGNSS-LBPRGKRZSA-N	277.458	5.261	0	20	CKAD	
Cc1ccc(-c2nc(CSc3cccs3)co2)cc1	604931416	DSCUTPFRYGLCPO-UHFFFAOYSA-N	287.409	5.004	0	20	CKAD	
CCCC[C@H](C)N(C)C(=O)Nc1c(C)cccc1C(C)C	685615527	ILSHSXJDLJYEBN-HNNXBMFYSA-N	290.451	5.161	0	20	CKAD	
C[C@H](Nc1ccc(SC2CCCC2)cc1)c1ccccn1	37085880	QYNGVGOKNFYLQP-AWEZNQCLSA-N	298.455	5.289	0	20	CKAD	
Oc1cccc(CNc2ccc(SC3CCCC3)cc2)c1	37085889	DACSPQNQRJWIGM-UHFFFAOYSA-N	299.439	5.039	0	20	CKAD	
C[C@H](NC1c2ccccc2-c2ccccc21)c1ccsc1	61360755	WQXQUZMQGCTZTL-ZDUSSCGKSA-N	291.419	5.169	0	20	CKAD	
Cc1ccsc1[C@H](C)Nc1ccc(SC(F)F)cc1	70090288	QUDAFJQDZOKAPD-JTQLQIEISA-N	299.411	5.544	0	20	CKAD	
Cc1cccc(C)c1NCc1cc2ccccc2nc1Cl	302833552	OPMQZTVGLBLMKN-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
CC(C)c1nc([C@H](C)Nc2ccc(Cl)cc2)cs1	469789066	CFQVUYFUJQNBQV-JTQLQIEISA-N	280.824	5.093	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2cnn(C3CCCC3)c2)c1	502388450	DSQOIPYSRAJZCY-HNNXBMFYSA-N	297.446	5.295	0	20	CKAD	
C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccoc1	531704507	CNKAWWOYWORNHA-PXAZEXFGSA-N	289.806	5.125	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)c1C	538501823	HDQCDZZVHKSTCP-CVEARBPZSA-N	293.410	5.461	0	20	CKAD	
CCC(CC)[C@@H](N[C@@H](C)c1cc(C)ccn1)c1ccccc1	552037702	DYUPIQLWQUISMK-OXJNMPFZSA-N	296.458	5.218	0	20	CKAD	
Cc1cc(C(F)(F)F)ncc1-c1cscc1C(F)F	906195426	KRVBBMHKJUQZEH-UHFFFAOYSA-N	293.260	5.075	0	20	CKAD	
C[C@@H](N[C@H](c1ccccc1)C1CCCCC1)c1cccnc1	314168000	KWDWIOIXKLNERV-OXQOHEQNSA-N	294.442	5.054	0	20	CKAD	
Cc1ccccc1[C@@H](CC(C)C)NCc1sccc1C	489097729	NIDNCWZPRPYINM-QGZVFWFLSA-N	287.472	5.242	0	20	CKAD	
CCc1cccnc1[C@@H](C)N[C@@H](CC(C)C)c1ccccc1	507491361	BLBJHAXFPCLDIY-APWZRJJASA-N	296.458	5.082	0	20	CKAD	
CCC(=CC(=O)Nc1c(C(C)C)cccc1C(C)C)CC	759162154	STMMNIVAESXACE-UHFFFAOYSA-N	287.447	5.618	0	20	CKAD	
C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cccs1	36994702	KHGUHDHKLWBGSY-CJNGLKHVSA-N	273.445	5.186	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccsc1)c1cccc(Cl)c1	50340653	CPWDOZLDSATIDH-XHDPSFHLSA-N	279.836	5.203	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2c(s1)CCCC2)c1ccsc1	129471477	ZYDQDHABPJDJTE-VXGBXAGGSA-N	291.485	5.100	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1ccc(Cl)cc1	163215327	YAQFKTGFTGVBJC-QWRGUYRKSA-N	293.760	5.112	0	20	CKAD	
C[C@@H](SC1=Nc2ccccc2CS1)c1ccccc1	253491807	NVSDCTGWXZLMFR-GFCCVEGCSA-N	285.437	5.415	0	20	CKAD	
CC[C@H](N[C@H]1C[C@H](C)c2ccccc21)c1cccs1	311420499	KNYKACCRYDWRED-RCBQFDQVSA-N	271.429	5.037	0	20	CKAD	
CSc1ccc([C@H](C)N[C@@H]2C[C@@H](C)c3ccccc32)cc1	313997806	YWOHGYDZINUVHI-BIENJYKASA-N	297.467	5.308	0	20	CKAD	
COc1ccccc1/C=C/C=C/c1nc2ccccc2s1	507930331	XKBCWRODEUFMDU-ALGYBSRGSA-N	293.391	5.032	0	20	CKAD	
O=C(CC1=CCCCC1)Nc1ccccc1-c1cccs1	521619347	GFFXKLRAIFQGLL-UHFFFAOYSA-N	297.423	5.244	0	20	CKAD	
CCC[C@@H](NCc1cc2ccccc2o1)c1ccsc1	525954980	APEJOQMNXGADNN-MRXNPFEDSA-N	285.412	5.125	0	20	CKAD	
C[C@H](Sc1ccc(-c2ccccc2)cc1)c1ccncc1	605077220	MLWYQKSKZNRMMA-HNNXBMFYSA-N	291.419	5.602	0	20	CKAD	
CCC(CC)[C@H](NCc1sccc1C)c1cccs1	620760515	DFIOKPIVYUFGJD-INIZCTEOSA-N	293.501	5.385	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)N(Cc1cccs1)C(C)C	741900057	RSNILUVLYIFPQO-OAHLLOKOSA-N	295.492	5.092	0	20	CKAD	
CCC/C(C)=C/C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	920224932	QJJMGGXSIFHHOY-ZQHYZAEZSA-N	299.414	5.089	0	20	CKAD	
CCO[C@@H](C)c1nc(-c2cc(C)c(C)c(C)c2C)cs1	437646723	BCEHZHQXFVZEBV-AWEZNQCLSA-N	289.444	5.141	0	20	CKAD	
C[C@@H](Sc1ccncc1)c1ccc2ccccc2c1	448101750	FVNGBCSKSAPRRE-CYBMUJFWSA-N	265.381	5.088	0	20	CKAD	
CCO[C@H](C)c1nc(-c2cc(C)c(F)cc2Cl)cs1	471253164	VCPIBEDIQAWONH-SECBINFHSA-N	299.798	5.009	0	20	CKAD	
O=C(Nc1cccc2ccsc12)c1sccc1C1CC1	502922821	BRUGVSXJXLHJIS-UHFFFAOYSA-N	299.420	5.093	0	20	CKAD	
CSc1cccc(N[C@@H](C)c2nc3ccccc3o2)c1C	537570676	FTVXSAORYPWALT-LBPRGKRZSA-N	298.411	5.031	0	20	CKAD	
C[C@H](Nc1cccc(CC(F)(F)F)c1)c1ccc(F)cc1	538638724	MHLZBUZGGMYFOK-NSHDSACASA-N	297.295	5.104	0	20	CKAD	
CC[C@@H](Sc1ccccc1OC)c1ccc(F)cc1F	575368127	VDAKICZEYCPZFE-OAHLLOKOSA-N	294.366	5.217	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)cc1F	21509208	IZLIRAAZXJUPTE-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
CC[C@@H](NCc1ccccc1C(F)(F)F)c1cccs1	48416876	FJFDGZCWYXAKLW-CYBMUJFWSA-N	299.361	5.008	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)s1	49158816	OSWZCPZYENWNCC-GHMZBOCLSA-N	297.826	5.261	0	20	CKAD	
Cc1ccc(SCc2ncc(-c3ccccc3)o2)cc1C	72099329	HBSLTPWEFXGYIG-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
Cc1cscc1NC(=O)c1cscc1-c1ccccc1	464195807	CJAIFTLZASGKKC-UHFFFAOYSA-N	299.420	5.037	0	20	CKAD	
CCCC[C@H](CC)CC(=O)Nc1c(C)cccc1CC	522684687	QJQPGMZHHHDPMN-HNNXBMFYSA-N	275.436	5.102	0	20	CKAD	
C[C@@H](S[C@H](C)c1ccccc1Cl)c1cccnc1	570937665	PZZOAHRYHKSUCL-VXGBXAGGSA-N	277.820	5.290	0	20	CKAD	
CC[C@@H](N[C@@H]1CSCc2ccccc21)c1cccc(C)c1	671744165	MARQZPXTVMYGQX-RTBURBONSA-N	297.467	5.024	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)c(Cl)c1	773116319	JJNQEZCRYJQDCN-HZMBPMFUSA-N	297.229	5.123	0	20	CKAD	
CC(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)C)ccc1N2	1857791295	AEYPGWMPENDSSD-UHFFFAOYSA-N	293.454	6.316	0	20	CKAD	
Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccc(F)cc1	37210708	NBCKTABGZMDBRD-SNVBAGLBSA-N	292.423	5.061	0	20	CKAD	
C[C@H](Nc1cccc(CC(F)(F)F)c1)c1ccsc1	179976059	ZDGYGXKRTOKYEF-JTQLQIEISA-N	285.334	5.026	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(C2CCCCC2)cc1)c1ccon1	543627375	VPBTXIOJIZYURV-CABCVRRESA-N	298.430	5.134	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C1CC(C)(C)C1	552190001	SCWVKHKCWXENHD-UHFFFAOYSA-N	287.447	5.137	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(C)cc1)c1ccc(F)cc1F	606466978	DXNZLLMTHAIRCX-FZKQIMNGSA-N	289.369	5.075	0	20	CKAD	
C[C@@H](N[C@H](CC1CC1)c1ccccc1)c1ccccc1F	608376084	IGKIYLNYTHAJQL-AUUYWEPGSA-N	283.390	5.018	0	20	CKAD	
CC(C)c1ccc(NC(=O)CCC(C)(F)F)c(C(C)C)c1	643165015	XKNPHTJQIMHFOK-UHFFFAOYSA-N	297.389	5.307	0	20	CKAD	
Cc1ccc([C@@H]2CCCN2C(=O)C2CCCCCCC2)cc1	741667732	MEQHANZPPDKMQL-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CCCCCCC(=O)Nc1cccc(C(F)F)c1Cl	754483502	VLAWJQBUHGYCLD-UHFFFAOYSA-N	289.753	5.187	0	20	CKAD	
c1ccc(CCC[C@H](C2CCCCC2)N2CCCCC2)cc1	98178616	ZBVFVIKOIYRFKN-OAQYLSRUSA-N	299.502	5.444	0	20	CKAD	
Oc1ccc(C2[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1	98180325	INMSSBLNRNGVCD-WOJBJXKFSA-N	286.374	5.057	0	20	CKAD	
CCc1cc(C)cc(CC)c1NC(=O)Nc1ccccc1C	435195200	XKBWELKXEKUTEW-UHFFFAOYSA-N	296.414	5.072	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2cc(C)sc2C)c1	539734305	JENFMGXPCQSYEQ-OLZOCXBDSA-N	289.444	5.245	0	20	CKAD	
CC[C@H](N[C@H](CC)c1ccc(Cl)s1)c1cccs1	557248269	YWXRYWVWCBGCFF-WDEREUQCSA-N	299.892	5.655	0	20	CKAD	
CC[C@@H](N[C@H](c1ncccc1C)C(C)C)c1cccc(C)c1	576965020	LFJNPWYXYZUIMY-MOPGFXCFSA-N	296.458	5.136	0	20	CKAD	
C[C@H](Nc1ccc(SC(C)(C)C)cc1)c1ccoc1	777673579	MHVBGUFNVSTEJI-LBPRGKRZSA-N	275.417	5.343	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(O)c1)c1csc2ccccc12	799716968	CEHOYBIIENZZDZ-OLZOCXBDSA-N	297.423	5.019	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc3ccccc3c2)s1	49157690	XPAXZQQTHONYRE-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
CC(C)(NCc1ccccc1)c1ccc(Cl)c(Cl)c1	65275262	KBIXNEFLHPOEOZ-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@@H](C)c1ccc(C)cc1	442716064	NVDVBYZFJXQRQM-GJZGRUSLSA-N	285.456	5.129	0	20	CKAD	
c1csc(CN[C@@H]2CCCc3c2sc2ccccc32)c1	480085281	UUQBYODNRIKGHB-OAHLLOKOSA-N	299.464	5.130	0	20	CKAD	
CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(F)cc1Cl	510195390	DHSFVHQRLFVEKD-LBPRGKRZSA-N	297.801	5.024	0	20	CKAD	
Cc1cccc2c1CC[C@H]2N[C@@H](C)c1csc(Cl)c1	530329206	HOLGJOINIBEJSV-XHDPSFHLSA-N	291.847	5.048	0	20	CKAD	
CCCCc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)cc1	678426974	LPZPDNJBSYVGQY-SJORKVTESA-N	296.458	5.144	0	20	CKAD	
C[C@H](SCc1ccc(Cl)nc1)c1ccc(F)c(F)c1	729856257	TZAULIJFBBPLMV-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
Cc1cccc(CN[C@@H](C)c2csc3ccccc23)c1C	730019359	JAGQHYDJLGWYHY-HNNXBMFYSA-N	295.451	5.369	0	20	CKAD	
CCCCC[C@H](C)NC(=O)Nc1c(C)cccc1C(C)C	915307355	XYPLMVFFZRHCQG-HNNXBMFYSA-N	290.451	5.209	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)CCC1CCCC1	6318154	TYQLIAUKTWWUJN-UHFFFAOYSA-N	273.420	5.027	0	20	CKAD	
CCSc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)cc1	531960817	VVZGEKVZWWTBHA-KBPBESRZSA-N	289.444	5.112	0	20	CKAD	
CC[C@H](Sc1ccccc1OC)c1ccc(F)cc1F	575368126	VDAKICZEYCPZFE-HNNXBMFYSA-N	294.366	5.217	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	741948381	ILFLUZNMVDLQAO-JLSDUUJJSA-N	285.431	5.011	0	20	CKAD	
CC(C)c1cnc(CSCc2cccc(Cl)c2F)o1	786145894	XURDVLWHJGURCN-UHFFFAOYSA-N	299.798	5.024	0	20	CKAD	
FC(F)c1cccc(CSC[C@@H]2CC2(Cl)Cl)c1	794427423	NVRXIBVPIBMTJW-JTQLQIEISA-N	297.197	5.051	0	20	CKAD	
Cc1cc(C)cc(NCc2nc(-c3ccccc3)cs2)c1	61680746	ARMAXJCCXAPMFK-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1ccoc1CN[C@H](C)c1ccc(-c2ccccc2)cc1	390745891	UKKYGYGQAUYRHN-MRXNPFEDSA-N	291.394	5.106	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)c(C)c1	483128375	POQJBKVAUOIHKK-IEBWSBKVSA-N	296.458	5.055	0	20	CKAD	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)CC2CCC2)cc1	489454030	BVTSXBYSCBLTED-IBGZPJMESA-N	299.458	5.054	0	20	CKAD	
CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)C(C)C)c(C)c1	498051602	CLWNDNWWYIMBNC-ZIAGYGMSSA-N	293.476	5.116	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@@H]2CCSc3ccccc32)c1C	531711740	WEKMPNWIAWVBSN-CRAIPNDOSA-N	297.467	5.191	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccco1	543598798	FZLNPNKTOGLCRS-MRVPVSSYSA-N	271.694	5.044	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cc(C)c(C)cc1C)c1ccccn1	675816129	LMSRUBLTVZUUMY-YLJYHZDGSA-N	296.458	5.199	0	20	CKAD	
C/C=C/C=C\C(=O)Nc1ccc(C(C)C)cc1C(C)C	915163321	BKXUZLHLRGFKCD-MUIOLIGRSA-N	271.404	5.004	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccccc1	19878265	OUAQIABURQTBNA-STQMWFEESA-N	293.332	5.117	0	20	CKAD	
c1ccc2c(c1)CCC[C@@H]2NCc1ccc2ccccc2c1	25259606	ZDMMFTMSUBDEMJ-NRFANRHFSA-N	287.406	5.007	0	20	CKAD	
CC(C)c1ccccc1NC(=O)/C=C\c1ccccc1Cl	33314961	XCTRJTLFANSBIT-QXMHVHEDSA-N	299.801	5.115	0	20	CKAD	
CCC[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccccc1	42330504	XXROMUWFENPYNI-SJLPKXTDSA-N	285.456	5.330	0	20	CKAD	
CC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)C)cc1C(C)C	47503669	CNFKBYJJFZOFMM-CQSZACIVSA-N	290.451	5.196	0	20	CKAD	
CCC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1	48737790	VTGAQRLKIBXOBX-UHFFFAOYSA-N	294.181	5.009	0	20	CKAD	
Cc1cccc([C@H](C)N[C@@H](c2ccccc2)c2ccco2)c1	124797375	LTFGBXCARMZSET-JXFKEZNVSA-N	291.394	5.028	0	20	CKAD	
Cc1cccc([C@H]2CCCCCN2C(=O)C2CCCCC2)c1	303687076	OGCTUBMGGIAADA-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
CSc1ccccc1[C@H](C)NCc1coc2ccccc12	441370573	QVVQGECCLLAANB-ZDUSSCGKSA-N	297.423	5.006	0	20	CKAD	
CCCC[C@@H](NCc1cccc(C)c1)c1ccc(OC)cc1	488490445	HGBMYHAJAJLSMT-HXUWFJFHSA-N	297.442	5.025	0	20	CKAD	
CSc1ccccc1[C@@H](C)N[C@H](C)c1sccc1C	503894293	RXIJWJWRYKEEHX-CHWSQXEVSA-N	291.485	5.190	0	20	CKAD	
CC[C@@H](SCc1cccc(NC(C)=O)c1)c1ccccc1	507732283	PDQGHKMBPYCQHM-GOSISDBHSA-N	299.439	5.030	0	20	CKAD	
CCCCS[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC	514067793	VDJKMZQAUFJABK-ZIAGYGMSSA-N	293.476	5.060	0	20	CKAD	
CC[C@@H](C)c1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1	527863863	RDBVNDTWTQYZAA-OAGGEKHMSA-N	282.431	5.007	0	20	CKAD	
CC[C@H](S[C@H](C)c1cccnc1)c1ccccc1	531810948	ASDRBZFCMYUEIH-CJNGLKHVSA-N	257.402	5.027	0	20	CKAD	
CC(C)C[C@H](N[C@@H]1CCc2ccccc21)c1cccs1	540190862	JHLRLSRHIWMDHM-SJORKVTESA-N	285.456	5.112	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)c3ccccc23)o1	559736810	ULXQCEAFRULZOZ-KBPBESRZSA-N	297.373	5.292	0	20	CKAD	
CCCCC[C@H](NCc1ccc(Cl)o1)c1ccccc1	698130607	GVBKUUBUOFFLCK-INIZCTEOSA-N	291.822	5.344	0	20	CKAD	
C/C(=C\C(=O)N[C@H](C)c1cccc2ccccc12)C(C)(C)C	742483116	LJBIWPRNSCZJSN-SZGUKTLCSA-N	295.426	5.009	0	20	CKAD	
C[C@@H](N[C@H]1CCc2cccc3cccc1c23)c1ccccc1	887572946	HKNOWTPCMUFHOR-QRWLVFNGSA-N	287.406	5.178	0	20	CKAD	
CC(C)[C@H](NCc1cccc(C(F)F)c1)c1ccccc1	131783349	SUOYWQVLYRMORQ-KRWDZBQOSA-N	289.369	5.111	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1CCCC[C@@H]1C	518876620	OVQFOKJNDPVMLX-HOCLYGCPSA-N	287.447	5.273	0	20	CKAD	
CCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1ccsc1	741901362	FYACRHXHXZCOQN-GDBMZVCRSA-N	293.476	5.018	0	20	CKAD	
CCC(CC)[C@H](N[C@H](C)c1ccco1)c1ccccc1	37107804	SHRQXMGJBKTGFV-KDOFPFPSSA-N	271.404	5.108	0	20	CKAD	
CC(C)(NCc1cc(Cl)cc(Cl)c1)c1ccccc1	65275037	FPENNUMDEKRWEU-UHFFFAOYSA-N	294.225	5.018	0	20	CKAD	
Cc1ccc(C[C@@H](C)N[C@@H](C)c2cc3ccccc3o2)s1	80242321	YSFUVFPVVCZGOV-OCCSQVGLSA-N	299.439	5.085	0	20	CKAD	
CCC[C@@H]1CC=C(c2ccc(OCC)c(F)c2F)CC1	95933675	DEBVZLWMYMCVJC-GFCCVEGCSA-N	280.358	5.347	0	20	CKAD	
CCC[C@H](N[C@H]1CC[C@H](C)c2ccccc21)c1ccccn1	358231325	SICVDLBPMUPBBB-QSFXBCCZSA-N	294.442	5.151	0	20	CKAD	
CC[C@H](N[C@@H](CC)c1ccsc1)c1ccc(Cl)cc1	382173947	WRUIWFZVHJKUKZ-HOTGVXAUSA-N	293.863	5.594	0	20	CKAD	
CC(C)c1ccccc1NC(=O)C[C@H](C)c1ccccc1F	524014934	FTDDCCAGCXGMNZ-AWEZNQCLSA-N	299.389	5.081	0	20	CKAD	
Cc1ccnc([C@@H](C)Nc2cccc(-c3cccs3)c2)c1	552070932	JHMILWLGKMEQRB-CQSZACIVSA-N	294.423	5.292	0	20	CKAD	
CC[C@@H](C)c1ccc(C(=O)Nc2c(C)cccc2C)cc1	755092640	WWXQWYKFRBZTRK-CYBMUJFWSA-N	281.399	5.069	0	20	CKAD	
CCCCC[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccccc1	768221759	VRONFDYERBIZPV-FXAWDEMLSA-N	296.458	5.362	0	20	CKAD	
c1ccc(NCc2ccc(-c3ccccc3)s2)cc1	37186055	CEBGOGWSKACNMS-UHFFFAOYSA-N	265.381	5.027	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(F)cc1	37217379	LWSIXLBPKVWZLI-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccsc1)c1ccc(C(F)(F)F)cc1	50342435	FJGDIETWKDRWIG-GHMZBOCLSA-N	299.361	5.179	0	20	CKAD	
Cc1ncc([C@H](C)N[C@H](C)c2ccc3ccccc3c2)s1	90399367	AZLPZNBZXSGQHV-OLZOCXBDSA-N	296.439	5.017	0	20	CKAD	
CC[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(C)C	303261283	HTOWSLUNQJXOFJ-JTQLQIEISA-N	288.218	5.004	0	20	CKAD	
CC[C@@H](Nc1ccc(COC)cc1)c1ccc(Cl)cc1	383582100	IDJVXJXDCUDALG-QGZVFWFLSA-N	289.806	5.050	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[C@@H](C)CC	472673895	YVPULCVGDRHNJT-GJZGRUSLSA-N	289.463	5.383	0	20	CKAD	
Cc1ccc([C@H](N[C@@H](C)c2cc(C)c(C)o2)C2CC2)cc1	502391985	QQDFZHGAWSWPAE-LIRRHRJNSA-N	283.415	5.007	0	20	CKAD	
CC(C)OCc1ccc(N[C@@H](c2ccccc2)C2CC2)cc1	539629624	GDQYIOQXRMFYSY-FQEVSTJZSA-N	295.426	5.175	0	20	CKAD	
Cc1ccc(Cl)cc1NC(=O)CC/C=C\c1ccccc1	606159665	AQDZYJUNJKEWGU-UITAMQMPSA-N	299.801	5.081	0	20	CKAD	
C[C@H](N[C@@H](C)c1cccs1)c1cccc(C(F)(F)F)c1	20148325	IPSTXTKMFGDLNB-QWRGUYRKSA-N	299.361	5.179	0	20	CKAD	
Cc1ccsc1CNCc1ccc(-c2ccccc2)s1	85274861	BUGYLTQHZVPARD-UHFFFAOYSA-N	299.464	5.075	0	20	CKAD	
CC[C@@H](N[C@H]1CCc2sc(Cl)cc21)c1ccccc1	129639998	JSOBKVTWUBQGIW-KGLIPLIRSA-N	291.847	5.130	0	20	CKAD	
CC(C)c1ccccc1NC(=O)C[C@@H](C)c1cccc(F)c1	303726471	SVFSSQQMRFWIND-CQSZACIVSA-N	299.389	5.081	0	20	CKAD	
CCC(CC)S[C@H](C)c1nc(-c2ccccc2C)no1	466633916	GTNGSUDYAXCQNF-GFCCVEGCSA-N	290.432	5.028	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cc(C)cc(C)c1)c1ccc(F)cc1	523386137	LTEMYNAJVNQIOP-HNAYVOBHSA-N	285.406	5.244	0	20	CKAD	
CC(C)C[C@H](N[C@H](C)c1cccs1)c1cccs1	539093049	JWUFTGNCMLJRAE-OLZOCXBDSA-N	279.474	5.248	0	20	CKAD	
C[C@@H](CCC(F)(F)F)Nc1ccccc1OC(C)(C)C	544350827	LSJRHOVARCGIRC-NSHDSACASA-N	289.341	5.007	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1)c1cccc(C2CC2)c1	550996025	OOPRERLTRASYBE-KGLIPLIRSA-N	283.390	5.115	0	20	CKAD	
CCCCSCc1coc(-c2ccc(Cl)cc2)n1	611141411	RYKDLISPJUOTLS-UHFFFAOYSA-N	281.808	5.028	0	20	CKAD	
CCCCC[C@@H](C)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	742696098	NLQHJGLRKMAVAS-JLSDUUJJSA-N	285.431	5.011	0	20	CKAD	
CC[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1	21809503	WFQRABHKMHHLPW-MRXNPFEDSA-N	284.790	5.385	0	20	CKAD	
CC[C@H](N[C@@H]1CCc2sc(Cl)cc21)c1ccsc1	453255411	PZCJOGNVGQCGOP-NWDGAFQWSA-N	297.876	5.191	0	20	CKAD	
CC[C@@H](C)[C@@H](NCc1cccs1)c1ccc(Cl)cc1	462769788	ZJPAQRGULLEVKZ-MLGOLLRUSA-N	293.863	5.279	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1csc(Cl)c1	468897038	JFXYAVOXBFKPJN-LKFCYVNXSA-N	297.876	5.265	0	20	CKAD	
CC[C@H](N[C@@H](C)C1CCC(F)(F)CC1)c1cccs1	474028805	DRNWGKRITUTNAY-AAEUAGOBSA-N	287.419	5.003	0	20	CKAD	
CC[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1cccs1	479252660	KVVCUAUTBXEJNM-GJZGRUSLSA-N	291.847	5.130	0	20	CKAD	
Cc1cc(CN[C@H](C)c2cccs2)c2[nH]c(C)c(C)c2c1	482371185	SBXFSEJXRZZLCO-CQSZACIVSA-N	298.455	5.005	0	20	CKAD	
CC[C@H](N[C@H]1CCc2c(Cl)cccc21)c1cccs1	537938514	CFRPFRCTMIDIGR-GJZGRUSLSA-N	291.847	5.130	0	20	CKAD	
Cc1ccc(Cl)cc1NC(=O)CC/C=C/c1ccccc1	606159666	AQDZYJUNJKEWGU-WEVVVXLNSA-N	299.801	5.081	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1	37075146	CPOOSCBASWMFAB-KUHUBIRLSA-N	297.467	5.210	0	20	CKAD	
CCc1ccc([C@H](C)N[C@@H](C)CCCC(F)(F)F)s1	426033594	CIPQSOJOPWWVFJ-QWRGUYRKSA-N	293.398	5.082	0	20	CKAD	
CC[C@H](C)Sc1ccc(NC(=O)C2(CC)CC2)c(C)c1	427664307	RLWHDPDHEQMDCX-ZDUSSCGKSA-N	291.460	5.014	0	20	CKAD	
CC[C@@H](S[C@H](C)c1cnccn1)c1ccc(Cl)cc1	467304642	NUYAQGAEBAWCEC-IAQYHMDHSA-N	292.835	5.076	0	20	CKAD	
C[C@H](CC1CCCCC1)C(=O)Nc1cccc(C(F)F)c1	510850292	GOWDIIUXNWJPDS-GFCCVEGCSA-N	295.373	5.169	0	20	CKAD	
C[C@@H](NC1CCC(F)(F)CC1)c1ccc2ccccc2c1	516497512	RLQRKZMYLQUEOY-CYBMUJFWSA-N	289.369	5.068	0	20	CKAD	
C[C@H](NCc1ccsc1)c1ccc(-c2ccccc2)s1	543602790	QNFZEJVYNRDHBC-ZDUSSCGKSA-N	299.464	5.327	0	20	CKAD	
CCC[C@H](Nc1cccc(O[C@@H](C)CC)c1)c1cccnc1	551240348	KCGAZAFEFIHVCV-KXBFYZLASA-N	298.430	5.212	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@@H](CC(C)(C)C)c2ccccc2)c1	552224530	YHUYLXLEAZYFGX-LPHOPBHVSA-N	296.458	5.218	0	20	CKAD	
Cc1ccc2ccccc2c1CN[C@H](C)c1ccsc1	669937033	BUMOGYBPRJMXRM-CQSZACIVSA-N	281.424	5.061	0	20	CKAD	
Cc1cccc2c1CC[C@H]2Nc1ccc(COC(C)C)cc1	679010987	PLJZSVZSKAPPMO-HXUWFJFHSA-N	295.426	5.019	0	20	CKAD	
CCCCCC[C@H](C)C(=O)Nc1c(C)cc(C)cc1C	741882094	KTWUWBYQJFUHPT-AWEZNQCLSA-N	275.436	5.157	0	20	CKAD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)CC1CCC1	742613461	UBXLRQSMDGPNOR-UHFFFAOYSA-N	291.460	5.014	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C=C1CCCC1	917526536	RGTTWNMYAXZACS-UHFFFAOYSA-N	285.431	5.372	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)o1	19917748	KZLOWRKEHQEDGR-GHMZBOCLSA-N	298.213	5.307	0	20	CKAD	
Cc1ccc([C@H](N[C@H](C)c2cc(C)oc2C)C2CC2)cc1	44729867	XXIXUZHRCLSDHJ-KUHUBIRLSA-N	283.415	5.007	0	20	CKAD	
Cc1csc([C@@H](C)N[C@H](C)c2ccc3ccccc3c2)n1	80274385	UHDOXGRDKFVMEV-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)CCC	191560130	MBZRKBITTOJDLK-CQSZACIVSA-N	275.436	5.137	0	20	CKAD	
CCCCc1nc(CNc2ccccc2C(C)C)cs1	462212000	KPAFYSSOAINIEW-UHFFFAOYSA-N	288.460	5.221	0	20	CKAD	
C[C@H](Sc1ccc(F)cc1F)c1ncc(C(C)(C)C)o1	476477038	RRDBNUZWLULGEV-VIFPVBQESA-N	297.370	5.104	0	20	CKAD	
Cc1cc(N[C@H](C)c2ccc(C(F)F)nc2)ccc1Cl	658046607	FTRUACQGCLHUFE-SNVBAGLBSA-N	296.748	5.154	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2nccc3ccccc23)s1	810213141	NBZXJZKTGQLJGV-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
CCCC[C@H](CC)COC(=O)OC[C@H](CC)CCCC	31318057	PXTQQOLKZBLYDY-IYBDPMFKSA-N	286.456	5.572	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1ccccc1C(F)(F)F	61360668	CRQWMOJNOMGBRU-MNOVXSKESA-N	299.361	5.179	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2csc(Cl)c2)s1	230408492	IAWIVSQELZSHCB-ZJUUUORDSA-N	285.865	5.183	0	20	CKAD	
CCOc1ccc(N[C@H](CC)c2ccsc2)c(C)c1	382169112	VWYIHOQPHYCTPF-OAHLLOKOSA-N	275.417	5.018	0	20	CKAD	
Cc1cc(C)cc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c1	439547995	KZQAJBLHSZDOFB-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
CCCN(CC)C(=O)Nc1ccc(C(C)C)cc1C(C)C	477561649	OJQJVAQDFUAEOM-UHFFFAOYSA-N	290.451	5.197	0	20	CKAD	
CCC[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccsc1	527487553	BEBHHLSUTFYICS-IAGOWNOFSA-N	289.419	5.006	0	20	CKAD	
Cc1ccccc1[C@H]1CCCN1C(=O)CCC1CCCCC1	614961938	CPNJOTIYYCVEGQ-LJQANCHMSA-N	299.458	5.019	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc3c(cnn3C(C)C)c2)s1	679147009	BYFGCSHBEMPASJ-ZDUSSCGKSA-N	299.443	5.160	0	20	CKAD	
CCC(F)(F)c1ccccc1N[C@H](C)c1cnc(C)s1	866615790	SYQAPGCTYLLJKR-SNVBAGLBSA-N	296.386	5.126	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cncs1)c1cccc2ccccc12	886790379	BHCRFKGDZDKVTP-GUYCJALGSA-N	296.439	5.098	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1F	20565133	AFKHHZFKHSFKFP-SNVBAGLBSA-N	283.268	5.018	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1ccccc1F)c1ccc(F)cc1	36968165	QIFXDULROAMUAI-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
CC[C@H](NCc1ccc(C(C)C)cc1)c1ccc(OC)cc1	60844316	DLBBWZMQLUEGAD-FQEVSTJZSA-N	297.442	5.060	0	20	CKAD	
Cc1ccc([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)s1	180007024	XCGWRPCJPIZPGK-ZDUSSCGKSA-N	298.411	5.193	0	20	CKAD	
COCc1cccc(N[C@@H](C)c2cccc3ccccc23)c1	386222885	FSAFVEQYTBJVQC-HNNXBMFYSA-N	291.394	5.159	0	20	CKAD	
c1cncc([C@H](Nc2csc3ccccc23)C2CCC2)c1	482011134	XSRPEAJPCINKIW-GOSISDBHSA-N	294.423	5.250	0	20	CKAD	
C[C@H](Nc1ccc(C2CCC2)cc1)c1ccc2c(c1)COC2	494489111	VHIGAPXWZWNIGK-AWEZNQCLSA-N	293.410	5.157	0	20	CKAD	
CC(=O)c1cccc(N[C@@H](C)c2ccc3ccccc3c2)c1	515834831	DHEDJMPLDMWORA-AWEZNQCLSA-N	289.378	5.216	0	20	CKAD	
C[C@@H](N[C@H](c1cccs1)C1CC1)c1cccc(C2CC2)c1	556054301	FWIWRORQSPOKHW-YJYMSZOUSA-N	297.467	5.427	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@H](C)c2cccc(C3CC3)c2)c1	556159416	GXICOFBRYFGQBJ-CABCVRRESA-N	295.426	5.445	0	20	CKAD	
C[C@H](N[C@@H](CC1CC1)c1ccccc1)c1ccccc1F	608376087	IGKIYLNYTHAJQL-LIRRHRJNSA-N	283.390	5.018	0	20	CKAD	
C[C@H](c1cccs1)N(C)Cc1ccc2ccccc2c1	680941227	ZXDROVMGXHBNTN-CQSZACIVSA-N	281.424	5.094	0	20	CKAD	
C[C@@H](N[C@H](C)c1csc2ccccc12)c1ccccc1	736347412	BPLMMJLIQWDQIH-ZIAGYGMSSA-N	281.424	5.313	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)C1CCCC1	3552376	LLXBTTRFMHHCEN-UHFFFAOYSA-N	273.420	5.062	0	20	CKAD	
CSc1cccc(N[C@H]2CCSc3ccccc32)c1	19900624	LTKDOYAUUZMHNX-HNNXBMFYSA-N	287.453	5.058	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1F)c1ccc(F)c(Cl)c1	37764677	DPIAIQHPEQBVOE-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
Cc1csc([C@@H](C)N[C@H](C)c2cccc3ccccc23)n1	80275195	IDACDKPQCZUUTF-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Cc1cncc([C@H](C)N[C@@H](c2ccccc2C)C(C)(C)C)c1	467744573	UQQOHKSTWMXSIR-LPHOPBHVSA-N	296.458	5.136	0	20	CKAD	
CCCc1cccc(C(C)C)c1NCc1ncc(C2CC2)o1	471535426	DWTLUGLHYXXVGZ-UHFFFAOYSA-N	298.430	5.240	0	20	CKAD	
Cc1c([C@@H](C)N[C@H](C)CCC(F)(F)F)oc2ccccc12	477854511	BLQZVUKNILIJDE-ZYHUDNBSSA-N	299.336	5.123	0	20	CKAD	
CCN(C(=O)c1ccc(C(C)C)cc1)c1cccc(C)c1C	510092401	QTPAXYBOTYJPMH-UHFFFAOYSA-N	295.426	5.094	0	20	CKAD	
CSCc1cccc(N[C@H](C)c2ccc(F)cc2F)c1	538635964	HESQUHBSOZUQEW-LLVKDONJSA-N	293.382	5.001	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1ccc2sccc2c1	554990491	AJKMQDXSAYCQMH-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](CC1CC1)c1ccccc1	679046704	SRGANINVDXLLKS-PBHICJAKSA-N	285.456	5.249	0	20	CKAD	
C[C@@H](Nc1nccs1)c1ccc(Oc2ccccc2)cc1	725791808	YICMLLKWDUSZOX-CYBMUJFWSA-N	296.395	5.109	0	20	CKAD	
Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C=C1CCCCC1	732745206	ORKJVEQDBKHGSQ-FQEVSTJZSA-N	299.458	5.041	0	20	CKAD	
Cc1ccccc1NC(=S)Nc1ccc(C(C)(C)C)cc1	16213611	HAZLZQWOJPCFIM-UHFFFAOYSA-N	298.455	5.101	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc3ccccc3c2)c(C)s1	35252915	ZHJYWPQYQUWCMG-CQSZACIVSA-N	295.451	5.369	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1ccccc1C	191559835	NNQOARGSUHWSNZ-UHFFFAOYSA-N	295.426	5.323	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1ccccc1F	223360982	WBQCUTHDBHRKJP-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
CC(C)CCC(=O)Nc1c(C(C)C)cccc1C(C)C	255948567	PEQCNUCGUZMQQY-UHFFFAOYSA-N	275.436	5.308	0	20	CKAD	
Cc1nc(CSCc2ccc(C(F)F)cc2)sc1C	460765889	GOSBBNIGIGGRFX-UHFFFAOYSA-N	299.411	5.131	0	20	CKAD	
FC(F)c1ccc(CN2CCC[C@@H]2c2ccsc2)cc1	461403071	QQUNDNOBVQAJBE-OAHLLOKOSA-N	293.382	5.023	0	20	CKAD	
Cc1c([C@@H](C)Nc2cccc3ccsc23)cnn1C(C)C	468878236	IPVUSMGXIYJNRS-GFCCVEGCSA-N	299.443	5.160	0	20	CKAD	
Cc1cc(CNCc2cccs2)ccc1-c1ccccc1	494253717	KEFOLYUTEAUSPC-UHFFFAOYSA-N	293.435	5.013	0	20	CKAD	
CCCCC[C@H](N[C@H](C)c1ccccn1)c1ccccc1	37218921	LLOYMUWLYWOUJF-APWZRJJASA-N	282.431	5.054	0	20	CKAD	
CC(C)(C)c1ccccc1NCc1nc2ccccc2s1	70206256	CYVACVBCIYOHNB-UHFFFAOYSA-N	296.439	5.206	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](C)CCCC(F)(F)F)c(C)s1	163327827	WKCZNHVCSOHPQH-ONGXEEELSA-N	293.398	5.137	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc(F)c1F)c1cccc(Cl)c1	231635079	WNIPKNUHRVWTRV-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
C[C@H](N[C@H](C)c1cccs1)c1ccc(C2CC2)cc1	417355899	OOXJSXDXXANUFK-QWHCGFSZSA-N	271.429	5.037	0	20	CKAD	
Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)cc(C)c1F	484761101	VCXLFXTVHICNEL-UHFFFAOYSA-N	299.389	5.127	0	20	CKAD	
CC[C@@H](C)c1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1	527863867	RDBVNDTWTQYZAA-PMPSAXMXSA-N	282.431	5.007	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3[nH]2)c(C)s1	775634227	PSQKTSISOWHFPZ-QWHCGFSZSA-N	298.455	5.258	0	20	CKAD	
CC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2N)cc1	2113933546	ODZBOWNEYXGNHD-UHFFFAOYSA-N	281.443	5.531	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1)c1cccc2ccccc12	19878193	NRWPJJFNHXBWDM-CVEARBPZSA-N	275.395	5.252	0	20	CKAD	
CCSc1cccc(N[C@H](C)c2sc(C)nc2C)c1	179879320	XRLGAUXVQGNFCS-LLVKDONJSA-N	292.473	5.045	0	20	CKAD	
Cc1nnc([C@H](C)S[C@@H](C)c2ccc(C(C)C)cc2)o1	182068249	LOYKMJWEPFAUNX-RYUDHWBXSA-N	290.432	5.057	0	20	CKAD	
Cc1cncc([C@H](C)N[C@H](c2ccccc2C)C(C)(C)C)c1	467744574	UQQOHKSTWMXSIR-QFBILLFUSA-N	296.458	5.136	0	20	CKAD	
Cc1ccccc1[C@H](C)S[C@H](C)c1nc(C(C)C)no1	480387151	KVDXPIMPWHSYSM-QWHCGFSZSA-N	290.432	5.057	0	20	CKAD	
CC(C)[C@H](C)C(=O)N(c1ccccc1)[C@H](C)c1ccccc1	497829984	ASDWRBNVYLZRLB-DLBZAZTESA-N	295.426	5.073	0	20	CKAD	
C[C@H](NC(C)(C)c1cccs1)c1ccc(F)c(Cl)c1	541638360	BGICRTQBNXEYEG-JTQLQIEISA-N	297.826	5.127	0	20	CKAD	
C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccoc1	543594964	QSWAYEMWKRYYRP-QMMMGPOBSA-N	271.694	5.044	0	20	CKAD	
C[C@H](N[C@H](C)c1ccsc1)c1ccc(F)c2ccccc12	556178669	GVJZEQQGEAJUTF-OLZOCXBDSA-N	299.414	5.452	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H]2CCCC[C@H]2C)c(Cl)c1	620326500	DRLUIBDQTWNFHQ-OCCSQVGLSA-N	293.838	5.112	0	20	CKAD	
CC[C@H](N[C@H](C)c1csc2ccccc12)c1ccccc1	732918630	QLXPVFZOPUDKCF-KDOFPFPSSA-N	295.451	5.703	0	20	CKAD	
C[C@H](SCc1cccnc1Cl)c1ccc(F)c(F)c1	751603014	MWHGYWXAFGAHGX-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CCc1cc(C)cc(CC)c1NC(=O)/C(C)=C\C(C)(C)C	797360537	QZXBBDPBXBCLLS-OWBHPGMISA-N	287.447	5.051	0	20	CKAD	
Cc1cccc2c1[C@H](Nc1ccc(COC(C)C)cc1)CC2	863994723	AXOFWMDXYWBDCG-LJQANCHMSA-N	295.426	5.019	0	20	CKAD	
C[C@@H](Nc1cc2ccccc2c(Cl)n1)c1ccccc1	16310965	UAWUWUGFSHQPKI-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
C[C@@H]1CC[C@H](N[C@H](C)c2ccsc2)c2ccccc21	228130009	QFQQHZYXIYNWLO-XNJGSVPQSA-N	271.429	5.037	0	20	CKAD	
Cc1noc(C)c1CNc1c(C(C)C)cccc1C(C)C	352542583	QKAPJUOOBNJOER-UHFFFAOYSA-N	286.419	5.150	0	20	CKAD	
CCS[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1	477371286	HEZOOYZZHZVNNV-SNVBAGLBSA-N	281.808	5.118	0	20	CKAD	
CC[C@H](C)CCC(=O)Nc1ccccc1-c1cccs1	505997007	RKHNTIFEHOKYOW-ZDUSSCGKSA-N	287.428	5.180	0	20	CKAD	
CC[C@H](C)c1ccc([C@H](C)N[C@@H](C)c2cscn2)cc1	527910874	FJTZVFRPUHOKCJ-IHRRRGAJSA-N	288.460	5.068	0	20	CKAD	
Cc1cccc(NC(=O)c2ccc(C(C)C)s2)c1Cl	546892797	XBHKUZOGFWTWLQ-UHFFFAOYSA-N	293.819	5.086	0	20	CKAD	
C[C@H](N[C@H](CC1CC1)c1ccccc1)c1ccc(F)cc1	608376342	VSODWAYXJJFZIK-IFXJQAMLSA-N	283.390	5.018	0	20	CKAD	
c1cc(C2CC2)ccc1NCc1csc(C2CCCC2)n1	678481155	ITQAFSAHGRALGU-UHFFFAOYSA-N	298.455	5.290	0	20	CKAD	
C[C@H](Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1	21032043	UNXFWUGNJSKQHI-JTQLQIEISA-N	283.268	5.018	0	20	CKAD	
CCc1c([C@@H](C)N[C@H](C)c2ccsc2)oc2ccccc12	61360691	DYYOTFFYPRABFY-CHWSQXEVSA-N	299.439	5.469	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)c1csc(C)c1C	180326784	WEBBJJVPKOOIQQ-UHFFFAOYSA-N	287.428	5.049	0	20	CKAD	
CCCCc1nc(CNc2ccc(C(C)C)cc2)cs1	462213674	UYRXOVLBMFBVHH-UHFFFAOYSA-N	288.460	5.221	0	20	CKAD	
Cc1cccc([C@H](C)NCc2cc3cc(F)ccc3o2)c1C	462751257	VUABIINYZITRHY-AWEZNQCLSA-N	297.373	5.040	0	20	CKAD	
CCc1ccc([C@@H](C)N[C@H](c2cccs2)C2CC2)s1	480271310	ZADHJWIIADRDNT-BZNIZROVSA-N	291.485	5.174	0	20	CKAD	
CC[C@@H](C)c1ccc([C@@H](C)N[C@@H](C)c2nccs2)cc1	527908317	KYHRTRXYTJBEAD-MCIONIFRSA-N	288.460	5.068	0	20	CKAD	
C[C@H](N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccoc1	532218051	SUHDDQAYVLWRPT-UGSOOPFHSA-N	287.378	5.001	0	20	CKAD	
C[C@H](N[C@H]1CCCc2c(Cl)cccc21)c1ccsc1	669850999	QYRCYTFKZSQLDV-ZBEGNZNMSA-N	291.847	5.130	0	20	CKAD	
C[C@H](SCc1csc(C(C)(C)C)n1)c1cccs1	737402153	IXPXYDRJWRBBKV-JTQLQIEISA-N	297.514	5.497	0	20	CKAD	
C/C=C(/C=C\C(=O)Nc1ccccc1-c1ccccc1)CC	764625026	JVMUWAIVGAISNP-FFDLHMTNSA-N	291.394	5.205	0	20	CKAD	
CC[C@@H](C)[C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1	7610126	PBBPAYUUZQHDGX-BEFAXECRSA-N	295.426	5.072	0	20	CKAD	
Cc1cccc(NCc2nc(-c3ccccc3)cs2)c1C	61680760	XHKIEHSRNAPAPA-UHFFFAOYSA-N	294.423	5.039	0	20	CKAD	
Cc1cc([C@H](C)NCc2cccc(C(F)F)c2)c(C)s1	131805669	RUYWPSAYOAWYIW-NSHDSACASA-N	295.398	5.153	0	20	CKAD	
Cc1cnc([C@H](C)N[C@@H](C)c2cccc3ccccc23)s1	134901195	BJBQZSUTCPUPBD-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1cncs1)c1ccccc1	164051478	OUCVVABRJPTABW-GDBMZVCRSA-N	288.460	5.115	0	20	CKAD	
C[C@@H](S[C@H](C)c1cnccn1)c1ccc2ccccc2c1	185547556	HWWQXKFTNALGAD-ZIAGYGMSSA-N	294.423	5.185	0	20	CKAD	
COCCC1(CNc2cccc(C(F)F)c2)CCCCC1	436285445	PIQULNIOIROUSY-UHFFFAOYSA-N	297.389	5.023	0	20	CKAD	
CC(C)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1	437954880	OFTDIOXZNUQUBN-AWEZNQCLSA-N	299.439	5.134	0	20	CKAD	
CC[C@@H](N[C@H](C)C1CCC(F)(F)CC1)c1cccs1	474028828	DRNWGKRITUTNAY-DGCLKSJQSA-N	287.419	5.003	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)cc(C)c1)c1ccc(F)cc1	523386135	LTEMYNAJVNQIOP-BEFAXECRSA-N	285.406	5.244	0	20	CKAD	
Cc1ccccc1[C@H](CC(C)C)N[C@H](C)c1ccco1	532510884	GDRMLJYTQITLKF-WBVHZDCISA-N	271.404	5.026	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1csc2ccccc12	537918433	RMPJSCUEZYJMFK-LBPRGKRZSA-N	287.453	5.122	0	20	CKAD	
CSCCc1ccccc1NCc1cccc(C2CC2)c1	600862127	USNYMNSDCOATCQ-UHFFFAOYSA-N	297.467	5.082	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21	613874577	DFYVQVGIVCTOOM-CGTJXYLNSA-N	299.458	5.137	0	20	CKAD	
CCCCCC[C@H](CC)C(=O)N1[C@H]2CC[C@H]1c1ccccc12	739629835	CJWKLWXHBVMVBG-SNRMKQJTSA-N	299.458	5.401	0	20	CKAD	
Cc1c([C@@H](C)NCc2ccc(Cl)cc2)oc2ccccc12	37243112	OVBBROCUSNVBJR-CYBMUJFWSA-N	299.801	5.245	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@@H](C)c1ccsc1	50343971	VGQPMLSOSLGJIE-ZDUSSCGKSA-N	275.417	5.017	0	20	CKAD	
C[C@H](SCc1ccc(Cl)nc1)c1ccc(F)cc1F	303277402	LFNUNWGBQGBQSI-VIFPVBQESA-N	299.773	5.008	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)sc1C)c1ccsc1	382115825	LRJKATCQGRYUEN-ABAIWWIYSA-N	279.474	5.228	0	20	CKAD	
Cc1ccc([C@@H](C)NCc2ccc(-c3ccccc3)o2)cc1	513104330	GXFPQLKDUILDKH-MRXNPFEDSA-N	291.394	5.106	0	20	CKAD	
CCCCS[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC	514067791	VDJKMZQAUFJABK-KGLIPLIRSA-N	293.476	5.060	0	20	CKAD	
CCC(C)(C)OCc1ccccc1NCc1ccsc1	542689295	WTPFRSFYFHZONZ-UHFFFAOYSA-N	289.444	5.065	0	20	CKAD	
CC[C@@H](CC(F)(F)F)N[C@@H](CC)c1ccc(Cl)s1	544830223	UXCJQNWCUOYAEY-IUCAKERBSA-N	299.789	5.173	0	20	CKAD	
CCC/C(C)=C\C(=O)Nc1ccccc1-c1ccccc1	920217873	YAOIUXIRICYKGF-PFONDFGASA-N	279.383	5.039	0	20	CKAD	
Cc1cc(C)cc(NC(=O)Nc2c(C)cccc2C(C)C)c1	242553599	CCJREJBYHGLGBM-UHFFFAOYSA-N	296.414	5.379	0	20	CKAD	
CC[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccsc1	382078959	DUJQNHKWFBQBFS-CQSZACIVSA-N	298.411	5.330	0	20	CKAD	
CC[C@H](C)C[C@@H](C)NC(=O)Nc1c(C)cccc1C(C)C	466165920	IPBOWENRZMELPL-DZGCQCFKSA-N	290.451	5.065	0	20	CKAD	
CC[C@H](N[C@@H](C)c1cc(C)c(C)o1)c1ccc(C)cc1	502415696	NSOBJZOSRUZCAU-YOEHRIQHSA-N	271.404	5.007	0	20	CKAD	
CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1-c1cccs1	502553081	GIYDHIPOAPPNRV-QWHCGFSZSA-N	287.428	5.036	0	20	CKAD	
CCc1cccnc1[C@H](C)N[C@@H](c1ccccc1)C(C)(C)C	507521392	XRVNPORAJSDVNU-KXBFYZLASA-N	296.458	5.082	0	20	CKAD	
CC(C)[C@@H](NCc1ccco1)c1ccc(Cl)c(Cl)c1	538060135	KXKJJHKGAARTLI-OAHLLOKOSA-N	298.213	5.073	0	20	CKAD	
CC[C@@H](Nc1ccc(CSC)cc1)c1cccs1	539735519	GARQDCILRLFZPA-CQSZACIVSA-N	277.458	5.174	0	20	CKAD	
CC[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C(C)C	601936180	IIQZGQHRFORWKQ-KRWDZBQOSA-N	295.426	5.017	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1c1ccsc1	604939087	IOSQBQPQVIEEPK-GDBMZVCRSA-N	293.476	5.018	0	20	CKAD	
CCSc1ccccc1[C@H](C)N[C@H](C)c1ccsc1	669851039	SQGKUFUIHFKUBX-OLZOCXBDSA-N	291.485	5.272	0	20	CKAD	
C[C@@H](SCCCCC(F)(F)F)c1cccs1	751786535	VMFGDPCDKZGBLW-SECBINFHSA-N	268.369	5.275	0	20	CKAD	
CCCCCC[C@@H](C)N[C@H](C)c1ccc(C(F)F)nc1	850419715	HCFNOINXZFSHDL-CHWSQXEVSA-N	284.394	5.029	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1	19878303	UITFXGRFVBIWDR-HOTGVXAUSA-N	275.395	5.252	0	20	CKAD	
CC[C@H](Nc1ccc(OC)c(Cl)c1)c1ccc(F)cc1	20020626	LJUSTASLQFEKLY-HNNXBMFYSA-N	293.769	5.051	0	20	CKAD	
CCCCC[C@@H](N[C@H](C)c1ccccn1)c1ccccc1	37218922	LLOYMUWLYWOUJF-VQIMIIECSA-N	282.431	5.054	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccsc1)c1ccc(Cl)cc1	50341393	XUEYPKLWZUEFAG-IAQYHMDHSA-N	279.836	5.203	0	20	CKAD	
Cc1c([C@H](C)Nc2nc3ccccc3o2)oc2ccccc12	84068161	WLRHHEUKYDBHIQ-LBPRGKRZSA-N	292.338	5.056	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1cc(F)cc(F)c1)c1ccccc1	94826589	XDLIYZQPFCCQTA-ACJLOTCBSA-N	289.369	5.013	0	20	CKAD	
Cc1ccc(NCc2ccc(Cl)c(C(F)(F)F)c2)cc1	477311409	UHJBFHORUFFRCG-UHFFFAOYSA-N	299.723	5.279	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2cc3ccccc3s2)c(C)c1	501376924	NWPCCJVAULAJNB-HNNXBMFYSA-N	295.451	5.369	0	20	CKAD	
CC(C)c1cccc([C@H](C)N[C@H](c2cccnc2)C2CC2)c1	527877159	OWOYRIKAOMGXFC-YWZLYKJASA-N	294.442	5.007	0	20	CKAD	
Cc1ccc(N[C@H](C)c2ccc3ccccc3n2)c(C)c1	537519400	CEBHECKPSWXFDS-OAHLLOKOSA-N	276.383	5.025	0	20	CKAD	
Cc1cc([C@@H](C)N[C@H]2CCc3c(C)cccc32)c(C)s1	539080402	UWUMKQRYXXQBFY-ACJLOTCBSA-N	285.456	5.011	0	20	CKAD	
C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1	607453192	KWFCAUJLLWSAIU-UONOGXRCSA-N	299.439	5.180	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@H]2CCC[C@@H](C)C2)c(Cl)c1	624062485	QPPMMHGQCVDALV-RISCZKNCSA-N	293.838	5.112	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](CC(C)C)c2ccccc2)c(C)n1	678412453	UYGIGGWSIADWHY-PXNSSMCTSA-N	296.458	5.136	0	20	CKAD	
O=C(C=C1CCCCC1)N1CCCCC[C@@H]1c1ccccc1	919849509	HIUBKFPWNXHDLE-LJQANCHMSA-N	297.442	5.021	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1ccc2oc(C3CC3)nc2c1	70090633	QYODRZXCIRUULN-LLVKDONJSA-N	298.411	5.248	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccs1)c1ccc(Cl)s1	178178011	VOXGGAOTNDNZSE-VHSXEESVSA-N	285.865	5.265	0	20	CKAD	
CC[C@@H](NCc1cccc2ccccc12)c1ccsc1	382111083	KXBNUEFUGHIMIU-GOSISDBHSA-N	281.424	5.142	0	20	CKAD	
CC(C)c1ccc2c(c1)[C@H](N[C@H](C)c1ccsc1)CC2	427873633	OJOVNIBFNPZAPS-FZKQIMNGSA-N	285.456	5.210	0	20	CKAD	
CC(C)(c1ccc(NCc2ccsc2)cc1)C(F)(F)F	428573633	PFZQWAUQWZGCSC-UHFFFAOYSA-N	299.361	5.200	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)CC/C=C/c2ccccc2)c1	474988671	CFMBZVPQBKXEGP-WEVVVXLNSA-N	299.801	5.081	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1ccc2c(c1)CCC2	480276449	HPKZFVJGYVMCOK-ORAYPTAESA-N	297.467	5.039	0	20	CKAD	
CC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1cccc(C)c1	552297936	LGHQPTPPWYLKLM-LJQANCHMSA-N	292.426	5.026	0	20	CKAD	
Cc1noc(C)c1CS[C@H](C)c1ccc2ccccc2c1	604047103	PZNIXICURYDVHM-CQSZACIVSA-N	297.423	5.439	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2sccc21)c1cc2ccccc2o1	61327269	YXMRLXNEZYPCAP-SWLSCSKDSA-N	297.423	5.223	0	20	CKAD	
Cc1cccc(C)c1CNc1ccc(SC(F)F)cc1	96810902	WRRGMGVOHNHKAA-UHFFFAOYSA-N	293.382	5.230	0	20	CKAD	
C[C@H](N[C@H](C)c1cc2ccccc2s1)c1cccc(O)c1	126471376	PMNVZCRLLUDXLN-QWHCGFSZSA-N	297.423	5.019	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@H](C)c2cc3ccccc3s2)c1	184350399	GJIUDBALAWWOQH-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
COc1ccc(N[C@@H](C)c2ccc3ccccc3c2)cc1F	302960050	QBBZCRRIBLLIPA-ZDUSSCGKSA-N	295.357	5.161	0	20	CKAD	
Cc1cccc2nc(N3[C@H]4CC[C@H]3c3ccccc34)sc12	480021312	UXZHIIMWISYMEV-HOTGVXAUSA-N	292.407	5.001	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@H](c2cccs2)C2CC2)c1	480272515	CYZDXWMMFONYOQ-KSSFIOAISA-N	285.456	5.167	0	20	CKAD	
CC(C)c1ccc(N[C@H](C)c2nc3ccccc3o2)cc1	540854353	PFUMYMPYAJHYTD-CYBMUJFWSA-N	280.371	5.124	0	20	CKAD	
CC[C@H](NCc1ccc2[nH]c(C)cc2c1)c1cccc(C)c1	552297935	LGHQPTPPWYLKLM-IBGZPJMESA-N	292.426	5.026	0	20	CKAD	
Cc1ccccc1[C@@H]1CCCN1C(=O)CCC1CCCCC1	614961937	CPNJOTIYYCVEGQ-IBGZPJMESA-N	299.458	5.019	0	20	CKAD	
CC[C@H](Sc1nc(C)c(C)s1)c1ccccc1	741856438	ULGTUSRZDWOSOW-ZDUSSCGKSA-N	263.431	5.003	0	20	CKAD	
CC(C)=C(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C	751192612	JETAYNCQMZZTQC-UHFFFAOYSA-N	291.460	5.180	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccc2ccccc2n1	776786238	SOEIAIHXGFXFNT-HNNXBMFYSA-N	298.389	5.561	0	20	CKAD	
C[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)c(F)c1	21020870	APCZNGCRZIFUMQ-WDEREUQCSA-N	295.760	5.030	0	20	CKAD	
C[C@@H](CSCc1ccc(C(F)F)cc1)C(F)(F)F	460780527	WWEPWEQOONHLSG-QMMMGPOBSA-N	284.293	5.056	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccsc1)c1ccc(F)cc1F	484508370	OVYUGBGSSBYSHM-BZNIZROVSA-N	295.398	5.218	0	20	CKAD	
C[C@H](N[C@@H](CC1CCC1)c1ccccc1)c1ccsc1	495412236	AMMQZLOMCYJHRW-KSSFIOAISA-N	285.456	5.330	0	20	CKAD	
CCCc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1	516719626	CMXHUGCTOHAGEN-UHFFFAOYSA-N	295.426	5.323	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2	530360165	NSALNSCMNBKHIM-ZVZYQTTQSA-N	299.458	5.137	0	20	CKAD	
CSc1ccc([C@@H](C)N[C@H]2C[C@@H](C)c3ccccc32)cc1	571480121	YWOHGYDZINUVHI-LPMFXHHGSA-N	297.467	5.308	0	20	CKAD	
CC(C)[C@@H](NCc1cc(Cl)cs1)c1ccc(F)cc1	93093747	QXBJSTIWSXNVKV-OAHLLOKOSA-N	297.826	5.028	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CCC1CC1	114996777	USVCGIOUUCKKQC-UHFFFAOYSA-N	273.420	5.062	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2ccccc2s1)c1ccccc1	126636690	KDWIHOXOZIYHHU-ZIAGYGMSSA-N	281.424	5.313	0	20	CKAD	
Cc1cc([C@H](C)N[C@@H](c2ccccc2)c2ccco2)cs1	381783503	RJRYHMGUYGLVFN-KSSFIOAISA-N	297.423	5.090	0	20	CKAD	
COCc1cccc(N[C@H](C)c2cc3ccc(C)cc3o2)c1	426057693	BKHPLFXUHAAZCJ-CQSZACIVSA-N	295.382	5.061	0	20	CKAD	
CCC[C@H](N[C@H](C)c1cccs1)c1ccc(F)cc1F	484505326	WHFPBDHZUWTMMX-ABAIWWIYSA-N	295.398	5.218	0	20	CKAD	
CC(C)OCc1cccc(N[C@@H](C)CCc2ccccc2)c1	495500548	ACAOENSAIDPOTB-KRWDZBQOSA-N	297.442	5.045	0	20	CKAD	
CCCC[C@@H](CC)CC(=O)N1[C@H]2CC[C@H]1c1ccccc12	526028264	ZNKIKKVJJRSNPG-JLSDUUJJSA-N	285.431	5.011	0	20	CKAD	
CC[C@@H](N[C@@H](c1cccs1)C1CC1)c1ccc(F)cc1	531942573	LQOUVMOWPHNJLN-NVXWUHKLSA-N	289.419	5.079	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccccc1)c1ccc(Cl)s1	532222572	SSKUYDFZLUZRMR-WCQYABFASA-N	279.836	5.203	0	20	CKAD	
CC(C)C[C@H](NCc1ccc(Cl)cc1)c1cccs1	559861025	SZRKRQDIYHECAQ-HNNXBMFYSA-N	293.863	5.279	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](c2ccc(F)cn2)C(C)C)cc1	574228782	GCUMVVDSMLJKCJ-SHCNBLLESA-N	284.378	5.063	0	20	CKAD	
Cc1cnc([C@@H](C)S[C@@H](C)c2ccc(F)c(Cl)c2)o1	582597241	DWXJEOUYXPJLSS-VHSXEESVSA-N	299.798	5.331	0	20	CKAD	
Cc1cccc([C@@H](C)NCc2csc3ccccc23)c1C	604418436	YZEAEENLYAECIM-OAHLLOKOSA-N	295.451	5.369	0	20	CKAD	
CCCCCC[C@](C)(CCC)C(=O)Nc1c(C)noc1C	744360030	NKZVSRMDPWDEDK-KRWDZBQOSA-N	294.439	5.007	0	20	CKAD	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccsc1	50341585	YADRSWMXOKXKHR-XJKSGUPXSA-N	273.445	5.186	0	20	CKAD	
CCCCC[C@H](N[C@@H](C)c1nccs1)c1ccccc1	80267681	VDXNVXGWXCWXHL-HOCLYGCPSA-N	288.460	5.115	0	20	CKAD	
CCC[C@H](NCc1cc(Cl)cs1)c1ccccc1	93094063	AXVONRRFCACXAX-HNNXBMFYSA-N	279.836	5.033	0	20	CKAD	
C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccsc1	182265502	ZRJLOLSSQNONFU-JTQLQIEISA-N	285.334	5.026	0	20	CKAD	
CCC[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccccn1	500644517	BOWYRMFSQYPFMS-UZLBHIALSA-N	296.458	5.397	0	20	CKAD	
Cc1cc([C@H](C)Nc2ccc3nc(C4CC4)oc3c2)oc1C	502409374	RFCQWZITLAFINF-NSHDSACASA-N	296.370	5.088	0	20	CKAD	
CCC[C@@H](N[C@H](C)c1cc(C)c(C)o1)c1ccccc1	502700132	VONCFSYICRVXCW-RHSMWYFYSA-N	271.404	5.088	0	20	CKAD	
C[C@@H](Nc1cccc(C(F)F)c1Cl)c1cccs1	541738262	DQDUFVUALPFPDU-MRVPVSSYSA-N	287.762	5.512	0	20	CKAD	
COCc1ccc(SCc2ccc(C(F)F)cc2)cc1	680854620	PYFBSWFWGVORBZ-UHFFFAOYSA-N	294.366	5.063	0	20	CKAD	
C[C@H](N[C@H]1CCc2ccccc21)c1csc2ccccc12	765837454	XBLOHNMNLWEZQD-UGSOOPFHSA-N	293.435	5.239	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1cccc(Cl)c1	21012862	OGLMHJYDAORKLE-GHMZBOCLSA-N	295.760	5.030	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(C)s2)c1	130421276	PQBVQPKGDXXMPI-LSDHHAIUSA-N	273.445	5.085	0	20	CKAD	
C[C@H](Nc1cccc(-c2cccs2)c1)c1cncc(F)c1	182759707	JHCKYKPJKWUCAT-LBPRGKRZSA-N	298.386	5.122	0	20	CKAD	
CC/C(=C/c1nc(-c2ccsc2)no1)c1ccc(C)cc1	438754756	PFCWDLLEVWCRBD-RAXLEYEMSA-N	296.395	5.057	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1cccc(C)c1	440633762	GFIGJSOZRDPFRZ-CABCVRRESA-N	285.456	5.129	0	20	CKAD	
CCC(C)(C)c1ccc(N[C@H](C)c2cncc(F)c2)cc1	448022775	PTGBHHRAMSULBN-CYBMUJFWSA-N	286.394	5.081	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2cccs2)C2CC2)cc1C	480223514	DCUQRVQNIBLRMX-KSSFIOAISA-N	285.456	5.167	0	20	CKAD	
CC[C@@H](SCc1cc(-c2ccco2)on1)c1ccccc1	507762233	QQZQVRSYGFPTEF-QGZVFWFLSA-N	299.395	5.319	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CC1=CCCCC1	518547519	JHARUYBTETWLSY-UHFFFAOYSA-N	299.458	5.762	0	20	CKAD	
Cc1nc2c(s1)[C@@H](Nc1cccc3ccccc13)CCC2	539720806	KMQLLGSLRFFGEY-KRWDZBQOSA-N	294.423	5.094	0	20	CKAD	
COc1ccccc1-c1ccc([C@@H](C)N(C)CC(C)C)cc1	607748917	DBEAQNCFTGNSQR-MRXNPFEDSA-N	297.442	5.011	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H]2CC(C)(C)Cc3occc32)s1	765305804	RCSVYVCMGBYVIJ-GXTWGEPZSA-N	289.444	5.014	0	20	CKAD	
Cc1cc(C)c([C@H](C)N[C@@H](C)c2ccsc2)c(C)c1	61360792	NKQCCKLQXXWBRI-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
CC(C)(C)[C@@H](N[C@H]1CCCc2occc21)c1ccccc1	122131136	CBIWPSSDIRSVDR-WMZOPIPTSA-N	283.415	5.034	0	20	CKAD	
Cc1cnc([C@H](C)N[C@H](C)c2ccc3ccccc3c2)s1	134899081	ATQFWSYFHPRZNH-KGLIPLIRSA-N	296.439	5.017	0	20	CKAD	
C[C@H](SCc1ccco1)c1ccc(F)c(Cl)c1	303054079	YQQGOPCGQLEYAH-VIFPVBQESA-N	270.756	5.067	0	20	CKAD	
C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1cccc(F)c1	313586090	YNFKCHRYIFDSTG-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
C[C@@H](Nc1ccc2[nH]ccc2c1)c1cccc2ccccc12	386922232	LITGKMCCSLYVCH-CQSZACIVSA-N	286.378	5.494	0	20	CKAD	
C[C@@H](Nc1cccc2ccccc12)c1ccc2ccccc2n1	538619832	ZVRIQAPDENOLLL-OAHLLOKOSA-N	298.389	5.561	0	20	CKAD	
Clc1ccc2oc3c(Br)cccc3c2c1	1857523857	ANJKWKBXTYYTCY-UHFFFAOYSA-N	281.536	5.002	0	20	CKAD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1ccsc1	50339007	YVKYRIICLVYXSE-UONOGXRCSA-N	281.424	5.313	0	20	CKAD	
C[C@H](Sc1nccs1)c1ccc2ccccc2c1	64669878	QTUBJDKDKFYIJI-NSHDSACASA-N	271.410	5.150	0	20	CKAD	
C[C@H]1C[C@@H](N[C@@H](C)c2ccsc2)c2ccsc2S1	217000206	YVHJIYLQGJSGJU-OUJBWJOFSA-N	295.498	5.086	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)cc1)c1c(F)cccc1Cl	313560707	UBUIHCFFMGHDQY-MNOVXSKESA-N	295.760	5.030	0	20	CKAD	
Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)o1	512396241	KEJWELYHUOJNKU-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	530360164	NSALNSCMNBKHIM-QILLFSRXSA-N	299.458	5.137	0	20	CKAD	
CCCc1ccc([C@@H](N[C@H](C)c2cccnc2)C(C)C)cc1	533547448	FZBLEIHVLYHIHQ-UZLBHIALSA-N	296.458	5.082	0	20	CKAD	
C[C@H](NCc1cc2ccccc2o1)c1cccc(C2CC2)c1	556061591	ZELXLONIJHWMOA-AWEZNQCLSA-N	291.394	5.161	0	20	CKAD	
C[C@H](Nc1ccc(C2CC2)cc1)c1ccc(C(F)F)nc1	657953817	JQHUOWHPVVKKCU-NSHDSACASA-N	288.341	5.070	0	20	CKAD	
Cc1nc(-c2ccc(N[C@@H](C)c3cccs3)cc2)oc1C	678349652	YCJTULJSYNBVTE-LBPRGKRZSA-N	298.411	5.193	0	20	CKAD	
CC(C)c1ccc(CN[C@@H](C)c2ccccn2)c(C(C)C)c1	679936010	VXPMWTFGRZJHLY-INIZCTEOSA-N	296.458	5.179	0	20	CKAD	
C/C(=C\Cl)CSCc1ncc(-c2ccccc2C)o1	797809560	CERFYIRWQYFWOD-YRNVUSSQSA-N	293.819	5.026	0	20	CKAD	
CCCC[C@H](CC)C(=O)Nc1c(C)cccc1C(C)C	6043040	RQLYWDWAZWWODB-HNNXBMFYSA-N	275.436	5.273	0	20	CKAD	
COc1ccccc1-c1nc(-c2cc(C)ccc2C)cs1	7846110	VZLGHOHGTRAMQY-UHFFFAOYSA-N	295.407	5.103	0	20	CKAD	
CC[C@H](NCc1ccc(Cl)cc1)c1cccc(Cl)c1	19232427	CJAXJABTSGKJGO-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C(C)C)s1	35054216	XBPNYCBQWWTZNP-MRXNPFEDSA-N	293.863	5.197	0	20	CKAD	
CCCCOc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1	314446317	CMESPBZLIXPNIU-QGZVFWFLSA-N	297.442	5.025	0	20	CKAD	
CCC[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccsc1	443088083	LYJYUAZLJVNZIQ-QZTJIDSGSA-N	285.456	5.330	0	20	CKAD	
CCC[C@H](CC)S[C@@H](C)c1nnc(-c2cccs2)o1	477037916	RNGWEDQYGYKYPB-QWRGUYRKSA-N	296.461	5.171	0	20	CKAD	
Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CCC[C@@H](C)C1	504351097	WHUIULPBENAKKY-ZBFHGGJFSA-N	287.447	5.273	0	20	CKAD	
CC(C)c1ccc([C@H]2CCCN2C(=O)C2CCCCC2)cc1	534783822	XVRHKLGQXAJSBT-LJQANCHMSA-N	299.458	5.054	0	20	CKAD	
Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cc2ccccc2o1	539044414	LRCUMMJYWVNDMQ-KBXCAEBGSA-N	291.394	5.079	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H]2CCCc3cc(F)ccc32)c1	539735404	YYMDRIFVPNRBSK-YJYMSZOUSA-N	299.389	5.023	0	20	CKAD	
Cc1ccc(NC(=O)CC/C=C\c2ccccc2)c(Cl)c1	606156836	FJRZOOTTXLGSIZ-UITAMQMPSA-N	299.801	5.081	0	20	CKAD	
CC[C@@H](C)c1ccc([C@H](NCc2ccccn2)C(C)C)cc1	236897860	WUGNRRVLWHLZMV-OXQOHEQNSA-N	296.458	5.082	0	20	CKAD	
CC(C)c1nc2cc(N[C@H](C)c3cccc(F)c3)ccc2o1	315749983	HPVYPMXMXGLOTO-GFCCVEGCSA-N	298.361	5.263	0	20	CKAD	
Cc1oc(-c2ccccc2)nc1CSC1CCCCC1	591334155	FRWXLRVQZKIQCR-UHFFFAOYSA-N	287.428	5.216	0	20	CKAD	
Cc1cc(N[C@@H](C)c2ccc(F)cc2)ccc1OC(C)C	743480667	VDEFVAJRJNCTKX-AWEZNQCLSA-N	287.378	5.094	0	20	CKAD	
COc1ccc2cc(N[C@@H](C)c3ccccc3F)ccc2c1	864012280	BSLHZFNSHIABPO-ZDUSSCGKSA-N	295.357	5.161	0	20	CKAD	
Cc1cc(OC(C)C)ccc1N[C@H](C)c1ccc(F)cc1	37780622	KSUGOHINZGHEPU-CQSZACIVSA-N	287.378	5.094	0	20	CKAD	
Cc1cncc([C@@H](C)N[C@H](CC(C)(C)C)c2ccccc2)c1	467751168	FKYWPFUCAPPRLY-VQIMIIECSA-N	296.458	5.218	0	20	CKAD	
C[C@H](NC1(c2ccccc2)CC1)c1ccc2ccccc2c1	538523475	APCMZTWBIWCQSE-INIZCTEOSA-N	287.406	5.180	0	20	CKAD	
Cc1cc(C)c(NC(=O)C[C@@H](C)c2ccccc2C)c(C)c1	604694473	WTTVVDGAAKHZOU-OAHLLOKOSA-N	295.426	5.053	0	20	CKAD	
c1c[nH]c([C@H](Nc2ccc(C3CC3)cc2)C2CCCCC2)n1	671758450	SUSPJXWBNQRGPS-GOSISDBHSA-N	295.430	5.021	0	20	CKAD	
C[C@H](SCc1cccc(F)c1F)c1cccs1	737403597	GPHYKLKDNWRMHX-VIFPVBQESA-N	270.369	5.021	0	20	CKAD	
O=C1/C(=C\c2ccsc2)CCC/C1=C\c1ccsc1	67771	BVEGPXVJSTZUMV-DJJIWSAGSA-N	286.421	5.030	0	20	CKAD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccsc1	50339008	YVKYRIICLVYXSE-ZIAGYGMSSA-N	281.424	5.313	0	20	CKAD	
CCSc1cccc(CN[C@@H](C)c2sccc2C)c1	426310707	CBYSQNJKXMPHLT-ZDUSSCGKSA-N	291.485	5.019	0	20	CKAD	
Cc1cc2c(cc1C)[C@H](N[C@@H](C)c1ccccc1)CCS2	427576828	GSEIZPXAKMBVQZ-MAUKXSAKSA-N	297.467	5.191	0	20	CKAD	
Cc1cc2cc[nH]c2cc1NC(=O)[C@@H](C)CC1CCCCC1	444447109	HQFVJESNRJRVCZ-AWEZNQCLSA-N	298.430	5.021	0	20	CKAD	
CC(C)C[C@H](C)C(=O)Nc1ccccc1-c1cccs1	462427838	KPVQUNOGVCBLBL-ZDUSSCGKSA-N	287.428	5.036	0	20	CKAD	
Cc1cc2cc([C@H](C)NCCCC(F)(F)F)oc2cc1C	483862234	RMSQRTOAOSDFEZ-LBPRGKRZSA-N	299.336	5.043	0	20	CKAD	
CC[C@H](C)c1ccc([C@@H](C)N[C@H](C)c2cccnc2)cc1	527848477	RDBVNDTWTQYZAA-ARFHVFGLSA-N	282.431	5.007	0	20	CKAD	
Cc1ccc([C@H](N[C@@H](C)c2sccc2C)C2CC2)cc1	532453748	LVABYNUBJRFAEF-YOEHRIQHSA-N	285.456	5.167	0	20	CKAD	
C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(Cl)s1	539667623	IHMMPXIWHQHOSL-GFCCVEGCSA-N	291.847	5.132	0	20	CKAD	
C[C@H](Nc1ccccc1NC(C)(C)C)c1ccccc1F	798500283	RXQZXKLEMXJOKZ-ZDUSSCGKSA-N	286.394	5.209	0	20	CKAD	
Cc1coc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1	887597393	ZNIZJNOJZBRNSB-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1cccs1	37118547	AQYVHNLSZSEFES-TZMCWYRMSA-N	289.444	5.014	0	20	CKAD	
Cc1ccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)s1	37118968	BAGKMTGQMHKZDD-INIZCTEOSA-N	291.435	5.073	0	20	CKAD	
C[C@@H](N[C@H]1CCCc2ccccc21)c1csc(Cl)c1	230406844	YDSPCNCBBBXDNO-ABAIWWIYSA-N	291.847	5.130	0	20	CKAD	
CCCCCN(C(=O)Nc1c(C)cccc1Cl)C(C)C	467672853	ZQXWNZKUOXFKRH-UHFFFAOYSA-N	296.842	5.081	0	20	CKAD	
CCC[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccccc1	527962386	DCYLHESGCFVLJM-ICSRJNTNSA-N	294.442	5.054	0	20	CKAD	
CC[C@@H](S[C@H](C)c1cccnc1)c1ccccc1	531810949	ASDRBZFCMYUEIH-CZUORRHYSA-N	257.402	5.027	0	20	CKAD	
CC[C@H](NCc1cc2ccccc2s1)c1ccc(F)cc1	579764163	CXMORWPLQMRZLS-KRWDZBQOSA-N	299.414	5.281	0	20	CKAD	
C[C@H](N[C@@H]1CCCc2c(Cl)cccc21)c1ccsc1	669850998	QYRCYTFKZSQLDV-MEDUHNTESA-N	291.847	5.130	0	20	CKAD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc3ccccc3n2)s1	765300050	MBDKKGZLMQQFFK-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CCC[C@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1C	914732406	DLEANJNAEZIYDA-AWEZNQCLSA-N	281.399	5.037	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1cccs1	49529276	FBWRVPKCEAIRFL-GUYCJALGSA-N	285.456	5.039	0	20	CKAD	
O=C(Nc1ccccc1-c1ccccc1)C1=CCCCCC1	476358921	ZERWDMGGEBYZLN-UHFFFAOYSA-N	291.394	5.183	0	20	CKAD	
Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc(Cl)s1	498485794	VHINIGDNFTUXMK-RISCZKNCSA-N	291.847	5.048	0	20	CKAD	
CSCc1ccc(NCc2ccc(C(F)F)cc2)cc1	527221487	LSOVHFWJXVXWBM-UHFFFAOYSA-N	293.382	5.099	0	20	CKAD	
CC(C)C[C@H](N[C@H]1CCc2ccccc21)c1cccs1	540190861	JHLRLSRHIWMDHM-IRXDYDNUSA-N	285.456	5.112	0	20	CKAD	
CSc1ccc([C@H](C)NCc2ccccc2C2CC2)cc1	94357650	WBCAPJDVUXACGF-AWEZNQCLSA-N	297.467	5.137	0	20	CKAD	
C[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccsc1	136966072	QFQQHZYXIYNWLO-IGCXYCKISA-N	271.429	5.037	0	20	CKAD	
CC(C)C[C@@H](N[C@@H]1CCCc2occc21)c1cccs1	447532530	ULUHHXSRPITPTD-HUUCEWRRSA-N	289.444	5.096	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cccc(Cl)c1F)c1cccs1	481031871	BFTVLNKRWVEGAB-ZWNOBZJWSA-N	297.826	5.343	0	20	CKAD	
CC(C)c1ccc(NCc2cnc(-c3ccco3)s2)cc1	486928811	ONWAWGVJMSKDLT-UHFFFAOYSA-N	298.411	5.139	0	20	CKAD	
C[C@H](Nc1ccc(-c2ccccn2)cc1)c1ccc(F)cc1	562233732	FATHFZUZSDSVHB-AWEZNQCLSA-N	292.357	5.061	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)CCCC1CC1	643778409	RSEFRZAZCNOYIU-UHFFFAOYSA-N	287.447	5.281	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(Cl)c(Cl)c1	773116330	JJNQEZCRYJQDCN-YGRLFVJLSA-N	297.229	5.123	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1c(CCC)cccc1C(C)C	788489282	WXMBYDDJSHBLIX-FYWRMAATSA-N	287.447	5.447	0	20	CKAD	
Clc1ccc(Cc2ccc3ccccc3c2)cc1	98179030	CUDVCQAMBVDOAH-UHFFFAOYSA-N	252.744	5.084	0	20	CKAD	
Clc1ccc(CN[C@H](c2ccccc2)C2CCC2)s1	237696270	YVSJYBIHCRFTIK-MRXNPFEDSA-N	291.847	5.033	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2cccc(COCC3CC3)c2)c1	439567500	HEWIPVVLIKUXLH-MRXNPFEDSA-N	295.426	5.095	0	20	CKAD	
CC(C)n1ccc(CS[C@@H](C)c2ccccc2Cl)n1	522630086	YEIXSPKFQOBXJQ-LBPRGKRZSA-N	294.851	5.112	0	20	CKAD	
CCOc1ccccc1-c1nc(C)c(-c2ccccc2)s1	551188379	KGUJBQUURSCHKP-UHFFFAOYSA-N	295.407	5.184	0	20	CKAD	
CC[C@H](N[C@H](c1ncccc1C)C(C)C)c1cccc(C)c1	576965021	LFJNPWYXYZUIMY-OALUTQOASA-N	296.458	5.136	0	20	CKAD	
Cc1ccc(CSCc2csc(C(C)C)n2)cc1	604047083	NQKDSSRDPWNHGG-UHFFFAOYSA-N	277.458	5.008	0	20	CKAD	
Cc1nc([C@H](C)Nc2ccc(C3CCC3)cc2)c(C)s1	683821556	ISCDWYCCIODGKU-NSHDSACASA-N	286.444	5.201	0	20	CKAD	
Cl/C(=C/c1ccsc1Cl)c1nc2ccccc2o1	790214291	IHXRRRQUOJBMCW-VQHVLOKHSA-N	296.178	5.280	0	20	CKAD	
c1ccc(-c2ccc(NCc3cccs3)cc2)cc1	35022254	KBEWQYYUZRZRQA-UHFFFAOYSA-N	265.381	5.027	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)cc1	37770738	NMJNOQJMWOTPJD-QWHCGFSZSA-N	291.797	5.199	0	20	CKAD	
COc1cccc(NCc2cc(-c3ccccc3)cs2)c1	38030728	GZCZOYSKZIFJGA-UHFFFAOYSA-N	295.407	5.036	0	20	CKAD	
Cc1ccsc1[C@H](C)NCc1cccc2ccccc12	70092084	QJIYOYQXXKAWIM-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCCc1nnc(S[C@@H](C)c2ccc3ccccc3c2)o1	122049048	LDVNVTDZXHCSDC-LBPRGKRZSA-N	298.411	5.029	0	20	CKAD	
Cc1ccccc1CN[C@@H](C)c1cc2ccccc2s1	169184959	KLQCIFQEEWDXNT-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
CCCCN(CCCC)C(=O)Nc1ccccc1C(C)C	243698200	PLBGQIFDWIDSBV-UHFFFAOYSA-N	290.451	5.244	0	20	CKAD	
Cc1csc(CN[C@@H](C)c2cccc3ccccc23)c1	379138503	ROSKPQQEYWOEGP-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
Cc1cncc([C@H](C)N[C@@H](CC(C)(C)C)c2ccccc2)c1	467751166	FKYWPFUCAPPRLY-LPHOPBHVSA-N	296.458	5.218	0	20	CKAD	
Cc1cccc(C)c1[C@@H](C)NCc1cccc(C(F)F)c1	470776669	LDYQQJIEOCEYNQ-CQSZACIVSA-N	289.369	5.092	0	20	CKAD	
Cc1cc(N[C@@H](C)c2nc3ccccc3o2)ccc1C1CC1	478424148	ZUVRKEJZODRMSW-ZDUSSCGKSA-N	292.382	5.187	0	20	CKAD	
C[C@H](CCC(F)(F)F)N[C@H]1CCC[C@@H](c2ccccc2)C1	488365297	JRDNJTJIPWBJES-BMFZPTHFSA-N	299.380	5.033	0	20	CKAD	
Cc1[nH]c2ccccc2c1-c1csc(C2CCCC2)n1	515602250	ZPAHRVYRAVSCBK-UHFFFAOYSA-N	282.412	5.257	0	20	CKAD	
C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccccc1	531961090	USMSKEJHCDAPHK-IFXJQAMLSA-N	283.390	5.018	0	20	CKAD	
CSc1ccc([C@H](C)NC2(c3ccccc3)CCC2)cc1	538567397	YTGRFXYHJZOOGI-HNNXBMFYSA-N	297.467	5.139	0	20	CKAD	
CC(C)C[C@@H](NC1CCC(F)(F)CC1)c1cccs1	539055621	XJWLPHDRFPBCPS-CYBMUJFWSA-N	287.419	5.003	0	20	CKAD	
C/C=C/c1ccc(N[C@@H](C)c2sc(CC)nc2C)cc1	562058582	WEQFVLSHDLIQGV-PZBABLGHSA-N	286.444	5.220	0	20	CKAD	
CC[C@H](N[C@H](c1ccc(C)cc1)C1CC1)c1cccs1	49529470	BATSRBKYKRDEGO-FUHWJXTLSA-N	285.456	5.249	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C	70090607	PDYNINSHRNGLDJ-CZUORRHYSA-N	291.435	5.244	0	20	CKAD	
CCOc1ccc(N[C@@H](C)c2ccccc2Cl)cc1F	134645363	VVZVLHUKLCDJKL-NSHDSACASA-N	293.769	5.051	0	20	CKAD	
CC[C@H](N[C@H]1CCCc2sccc21)c1cccc(F)c1	166576394	CIVADKPRYZYLTR-HOTGVXAUSA-N	289.419	5.006	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1ccncc1Cl	421865114	YZMZEZZMJATNAS-JTQLQIEISA-N	296.748	5.020	0	20	CKAD	
C[C@H](CC(=O)N1[C@H]2CC[C@H]1c1ccccc12)C1CCCCC1	527270958	QNDHPOOLZOALGL-CCKFTAQKSA-N	297.442	5.011	0	20	CKAD	
C[C@@H](Nc1cccc(COC2CCCCC2)c1)c1ccoc1	538590345	IZEJJGXKIVVSSZ-OAHLLOKOSA-N	299.414	5.302	0	20	CKAD	
C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(C2CC2)c1	550700795	NXYDQYLSOSPLQZ-RNODOKPDSA-N	295.401	5.041	0	20	CKAD	
Cc1cc(C)c(NC(=O)[C@@H](C)CC2CCCC2)c(Cl)c1	603824799	XJTNDWIXQYRONW-ZDUSSCGKSA-N	293.838	5.112	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2C)C(C)C)c(C)n1	678426827	JLYMGJFMICBCJO-PXNSSMCTSA-N	296.458	5.055	0	20	CKAD	
C[C@@H](S[C@H](C)c1cccs1)c1ncc(C(C)(C)C)o1	747810814	YIDXDELVRAKLLY-GHMZBOCLSA-N	295.473	5.589	0	20	CKAD	
Cc1ccsc1[C@@H](C)N[C@@H](c1ccccc1)C(C)C	70090603	UDSGLQZYBINJDK-GDBMZVCRSA-N	273.445	5.104	0	20	CKAD	
Cc1ccc([C@H](C)N[C@H]2CCCc3sc(Cl)cc32)o1	127653867	JATPNAUFPAOFQW-JQWIXIFHSA-N	295.835	5.031	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)c1ccoc1CC	281165409	QABWGEJFWINNCW-UHFFFAOYSA-N	299.414	5.170	0	20	CKAD	
c1csc(CN[C@H]2CCCc3c2sc2ccccc32)c1	480085271	UUQBYODNRIKGHB-HNNXBMFYSA-N	299.464	5.130	0	20	CKAD	
Clc1ccc(-c2nc(CSC3CCCC3)co2)cc1	480262900	JMAHLNXYIWRWTN-UHFFFAOYSA-N	293.819	5.171	0	20	CKAD	
O=C(C[C@H]1C=CCCC1)Nc1ccccc1-c1ccccc1	487640794	YVNHJXOZNQWULZ-INIZCTEOSA-N	291.394	5.039	0	20	CKAD	
C[C@@H](N[C@@H](CC1CCC1)c1ccccc1)c1cccs1	495421081	NPQCMCXQTPXESE-PBHICJAKSA-N	285.456	5.330	0	20	CKAD	
CC[C@H](Sc1nc(C)c(C)o1)c1ccc(Cl)cc1	522061916	DISFEAXFZJGRJM-ZDUSSCGKSA-N	281.808	5.188	0	20	CKAD	
C[C@@H](Nc1ccc(CCC(F)(F)F)cc1)c1ccccc1	537514078	XZOXQZIHTMBONQ-CYBMUJFWSA-N	293.332	5.355	0	20	CKAD	
C[C@@H](N[C@@H]1CCCc2occc21)c1csc2ccccc12	774171744	MWWZFIHRUSINGV-MLGOLLRUSA-N	297.423	5.223	0	20	CKAD	
C[C@H](NCc1ccc(CF)cc1)c1cccc2ccccc12	777720148	FVTBHTTWWXKBAW-HNNXBMFYSA-N	293.385	5.160	0	20	CKAD	
C[C@@H](SCc1cccc2cccnc12)c1ccc(F)cc1	71856376	VZQHPMYIWAHIKX-CYBMUJFWSA-N	297.398	5.368	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1csc(C(C)C)n1)c1ccccc1	90048736	JCLFMDRJGJBEOU-DZGCQCFKSA-N	288.460	5.068	0	20	CKAD	
C[C@@H](N[C@H](C)c1cc2ccccc2s1)c1ccc(F)cc1	121984035	MBSPOSOYIVYQNS-CHWSQXEVSA-N	299.414	5.452	0	20	CKAD	
CC[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1	302930331	GIIHXFUDQGXVAU-MRXNPFEDSA-N	292.382	5.268	0	20	CKAD	
CC[C@@H](NCc1ccc(OC(C)C)cc1)c1ccc(C)cc1	315192922	LCQOSHQDCJLJLY-HXUWFJFHSA-N	297.442	5.023	0	20	CKAD	
CSc1ccccc1[C@H](C)N[C@H](C)c1csc(C)c1	453203244	AAAYXVYUVNHKJZ-OLZOCXBDSA-N	291.485	5.190	0	20	CKAD	
CC[C@@H](N[C@H](C)c1ccc(CC(C)C)cc1)c1ccncc1	483500411	HXSRRDBKSSWUDV-OXQOHEQNSA-N	296.458	5.082	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2nc(-c3ccccc3)cs2)c1	539611330	FNZAXOZHUUDPSY-AWEZNQCLSA-N	294.423	5.292	0	20	CKAD	
CCC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1ccsc1	552322056	BEXAQAKCKGLTQP-QGZVFWFLSA-N	298.455	5.169	0	20	CKAD	
C[C@H](N[C@H](C)c1ccc(F)c2ccccc12)c1ccsc1	556178671	GVJZEQQGEAJUTF-QWHCGFSZSA-N	299.414	5.452	0	20	CKAD	
Cc1nc(-c2ccc(N[C@@H](C)c3ccccc3)cc2)oc1C	678348711	FUQLHGUVCCQAFB-AWEZNQCLSA-N	292.382	5.132	0	20	CKAD	
CCc1cccc(NC(=O)Nc2c(C)cccc2C(C)C)c1	39967532	QRPYRCVAELTAGM-UHFFFAOYSA-N	296.414	5.325	0	20	CKAD	
Cc1cc([C@H](C)N[C@H](C)c2ccccc2Cl)cs1	381519291	WYPJTYOBCGUXOE-NWDGAFQWSA-N	279.836	5.122	0	20	CKAD	
CC[C@H](CC(F)(F)F)N[C@H](C)c1cc2ccc(C)cc2o1	426041428	FFXWMRLBOFZLHA-DGCLKSJQSA-N	299.336	5.123	0	20	CKAD	
CC[C@@H](N[C@@H](c1ccccc1)C1CCCC1)c1ccncc1	453094070	WVFHZURJQHHNAX-UXHICEINSA-N	294.442	5.054	0	20	CKAD	
CC[C@H](C)[C@@H](NCc1occc1C)c1ccc(Cl)cc1	462766370	QWXXMEUTHPYMDZ-YVEFUNNKSA-N	291.822	5.118	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2ccc(Cl)cn2)c1	480300173	HOAFUZNNUVHSSQ-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
CO[C@@H](C)c1cccc(N[C@@H](C)c2ccc(Cl)cc2)c1	523651765	GEURIUYSMLTTIQ-STQMWFEESA-N	289.806	5.221	0	20	CKAD	
CC(C)C[C@H](NC1CCC(F)(F)CC1)c1cccs1	539055622	XJWLPHDRFPBCPS-ZDUSSCGKSA-N	287.419	5.003	0	20	CKAD	
C[C@@H](SCc1csc(C(C)(C)C)n1)c1cccs1	737402154	IXPXYDRJWRBBKV-SNVBAGLBSA-N	297.514	5.497	0	20	CKAD	
CCC(CC)N(C(=O)Nc1ccc2ccccc2c1)C1CC1	750581925	ZMYLXYJBRQFPQB-UHFFFAOYSA-N	296.414	5.025	0	20	CKAD	
CC(C)c1ccccc1CNCc1ccc(C(F)F)cc1	793157204	IGNGEVLRVXRZFU-UHFFFAOYSA-N	289.369	5.037	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2Cl)s1	21515854	BZELGDVACOUOQU-VXGBXAGGSA-N	279.836	5.122	0	20	CKAD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1ccsc1	50342750	VYBFGMZWKQRZOE-SWLSCSKDSA-N	289.444	5.014	0	20	CKAD	
Cc1cc([C@H](C)Nc2cccc3ccccc23)cs1	394503274	SIQOVXZFOWMLOL-ZDUSSCGKSA-N	267.397	5.383	0	20	CKAD	
O=C(CC1CCCCCC1)Nc1ccccc1C(F)(F)F	427493499	VUEZYKBBTPUDFR-UHFFFAOYSA-N	299.336	5.004	0	20	CKAD	
Cc1ccc(-c2cnc(CSc3ccc(F)cc3)o2)cc1	463040379	VDXXQZUTHFEADC-UHFFFAOYSA-N	299.370	5.081	0	20	CKAD	
C[C@H](c1cccc(Cl)c1)[S@@](=O)C1CCC(C)(C)CC1	469462458	ITRGBMKZKXYDHL-CWTRNNRKSA-N	298.879	5.119	0	20	CKAD	
C/C=C\c1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1	487970264	RWOHDFBQBFSPAI-RJNRQISESA-N	278.355	5.034	0	20	CKAD	
Cc1cc(Sc2ccccc2)ccc1NC(=O)C(C)(C)C	512859793	FBPQOGVPLIHEGY-UHFFFAOYSA-N	299.439	5.131	0	20	CKAD	
C[C@H](S[C@H](C)c1ccc(Cl)cc1)c1cccnc1	524402077	WGUHOLDATXLRGT-NEPJUHHUSA-N	277.820	5.290	0	20	CKAD	
CC(C)c1ccc(NCc2ncc(C3CC3)o2)c(C(C)C)c1	536302652	QURZVJROKUGRIU-UHFFFAOYSA-N	298.430	5.411	0	20	CKAD	
Cc1ccc([C@@H](C)Nc2ccc(C)c(-c3ncco3)c2)cc1	539738922	MREHUOLRFIWZKZ-OAHLLOKOSA-N	292.382	5.132	0	20	CKAD	
Cc1ccoc1CN[C@H](C)c1ccc(-c2cccs2)cc1	561409205	XXNMRDKCEZHZRZ-CQSZACIVSA-N	297.423	5.167	0	20	CKAD	
CCc1cccc(C)c1NC(=O)Nc1ccc(C2CC2)cc1	678524691	WLIXQQJFMCQMSX-UHFFFAOYSA-N	294.398	5.079	0	20	CKAD	
CC/C(C)=C/C(=O)Nc1c(C(C)C)cccc1C(C)C	822672618	DHSUOPYFVFRQHO-SDNWHVSQSA-N	273.420	5.228	0	20	CKAD	
Cc1cccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1	37119023	HFLHBNGVOGVMBB-SFHVURJKSA-N	285.406	5.011	0	20	CKAD	
CC[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1	50198378	SIYVCRJRVIFGHQ-INIZCTEOSA-N	294.225	5.234	0	20	CKAD	
Cc1c([C@@H](C)N[C@@H](C)c2cccc(F)c2)oc2ccccc12	195615938	BZJGUTBACSKZOC-UONOGXRCSA-N	297.373	5.292	0	20	CKAD	
CCCc1ccc([C@H](N[C@H](C)c2ccncc2)C(C)C)cc1	507633887	GFWQFKDUBXFEBK-OXQOHEQNSA-N	296.458	5.082	0	20	CKAD	
CC[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C(C)C	601936189	IIQZGQHRFORWKQ-QGZVFWFLSA-N	295.426	5.017	0	20	CKAD	
Cc1cccc(NC(=O)[C@@H](CC(C)C)c2ccccc2)c1C	607058840	ZFWXPIDBFYMUIR-SFHVURJKSA-N	295.426	5.072	0	20	CKAD	
C[C@H](SCc1ccc(C(F)(F)F)cc1)c1cccnc1	619460498	VJXYRNSQOKUARG-NSHDSACASA-N	297.345	5.095	0	20	CKAD	
CCC[C@H](N[C@H](C)c1coc2ccccc12)c1ccccn1	924946615	ONDGIOYGIKFCQF-KDOFPFPSSA-N	294.398	5.020	0	20	CKAD	
C[C@H](CCc1ccccc1)Nc1cccc(C(F)F)c1	386188233	BFQCYRDZYCRDGC-CYBMUJFWSA-N	275.342	5.057	0	20	CKAD	
C[C@@H](CCCC(F)(F)F)Nc1cccc(C(F)F)c1	386207591	SPMDKGJYJQSUCV-VIFPVBQESA-N	281.268	5.157	0	20	CKAD	
Cc1cccc([C@H](C)Nc2ccc(C)c(OC(F)F)c2)c1	439601990	CXNHABKCINZJAB-ZDUSSCGKSA-N	291.341	5.078	0	20	CKAD	
Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cc2ccccc2o1	467372991	IEALLQNEZUMNCW-KBXCAEBGSA-N	291.394	5.079	0	20	CKAD	
CC[C@H](C)n1ncc(N[C@@H](C)c2cc(C)sc2C)c1C	477946220	QFCWVLOGGBTWIU-JQWIXIFHSA-N	291.464	5.014	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccncc1	483500409	HXSRRDBKSSWUDV-OXJNMPFZSA-N	296.458	5.082	0	20	CKAD	
C[C@H](N[C@@H](CC1CCC1)c1ccccc1)c1cccs1	495421084	NPQCMCXQTPXESE-YOEHRIQHSA-N	285.456	5.330	0	20	CKAD	
CC(C)c1cccc([C@H](C)N[C@@H](c2cccnc2)C2CC2)c1	527877157	OWOYRIKAOMGXFC-MGPUTAFESA-N	294.442	5.007	0	20	CKAD	
CCOCc1ccc(N[C@@H](C)c2cc3ccccc3o2)cc1	539653161	MYCSHLWJHLDGDA-AWEZNQCLSA-N	295.382	5.142	0	20	CKAD	
Cc1cccc(C)c1-c1cccc(OCc2nccs2)c1	569630339	NODVERTVADNBGW-UHFFFAOYSA-N	295.407	5.006	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C(C)(C)C)c(C)n1	678411481	MAZHYIJFKPBIGH-VQIMIIECSA-N	296.458	5.136	0	20	CKAD	
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1cccs1	679062317	FIYBICYWSFFSBM-CYBMUJFWSA-N	289.444	5.236	0	20	CKAD	
Cc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1F	731490145	SASCSUJYDUJIMN-WQLSENKSSA-N	287.721	5.012	0	20	CKAD	
c1ccc(N(c2ccccc2)c2ccc3c(c2)CCCC3)cc1	215772762	IRRKFRPMZBLWCF-UHFFFAOYSA-N	299.417	6.035	0	20	CKAD	
CCC[C@@H](N[C@@H](C)c1csc(C)c1)c1ccccc1	381858284	ZWKOGKOXZUTWEV-WMLDXEAASA-N	273.445	5.249	0	20	CKAD	
C[C@@H](SCc1nccs1)c1ccc2ccccc2c1	446954240	MCJNVMLBNYMRBU-GFCCVEGCSA-N	285.437	5.291	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)C1CCC1	457759702	VZORVNLTJCFWNS-CQSZACIVSA-N	287.447	5.137	0	20	CKAD	
c1cncc([C@H](Nc2cccc3ccsc23)C2CCC2)c1	481996800	CIVSEUGAYCPXEC-QGZVFWFLSA-N	294.423	5.250	0	20	CKAD	
CC[C@@H](N[C@H](C)c1cc(C)c(C)o1)c1ccc(C)cc1	502415694	NSOBJZOSRUZCAU-RHSMWYFYSA-N	271.404	5.007	0	20	CKAD	
C[C@@H](Nc1cccc(Cl)c1)c1ccc2ccccc2n1	540724098	WOWBVQMRJHHURK-GFCCVEGCSA-N	282.774	5.061	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@H](CC(C)(C)C)c2ccccc2)c1	552224531	YHUYLXLEAZYFGX-QFBILLFUSA-N	296.458	5.218	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccsc1)c1cccc(Cl)c1	50340650	CPWDOZLDSATIDH-NHYWBVRUSA-N	279.836	5.203	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccncc1	163614372	CKAWOLAXIFBWLJ-KXBFYZLASA-N	282.431	5.007	0	20	CKAD	
Cc1cccc(NCc2cc3ccccc3nc2Cl)c1C	302798796	NITBIYWVRQSUHR-UHFFFAOYSA-N	296.801	5.117	0	20	CKAD	
FC1(F)CCC(c2csc(-c3ccsc3)n2)CC1	430836179	DLJBBFHODFVTME-UHFFFAOYSA-N	285.384	5.165	0	20	CKAD	
CC(C)N(Cc1ccc(C(F)F)cc1)Cc1cccs1	461401969	NQHJSHKIXWZIAA-UHFFFAOYSA-N	295.398	5.096	0	20	CKAD	
CCC[C@@H](CC)SCC(=O)Nc1ccccc1C(C)C	477077468	OATVNYOTFMHASY-CQSZACIVSA-N	293.476	5.060	0	20	CKAD	
C[C@H](S[C@H](C)c1cccnc1)c1cccc(Cl)c1	520279893	CCVNYFKIMUJBRX-NWDGAFQWSA-N	277.820	5.290	0	20	CKAD	
Cc1ccc([C@H](C)NCc2ccc(-c3ccccc3)o2)s1	531684875	BNRPTMCLPDRPHB-AWEZNQCLSA-N	297.423	5.167	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1ccc(Cl)s1	532500041	YMKKZTZEJPSTFK-WDEREUQCSA-N	299.892	5.573	0	20	CKAD	
CCSc1ccccc1[C@H](C)N[C@@H]1CCCC(F)(F)C1	540158882	QUNXARPTLKMITH-QWHCGFSZSA-N	299.430	5.027	0	20	CKAD	
CC(C)c1cccc(N[C@@H](C)c2cccc(CN(C)C)c2)c1	863988849	GUFCKAULOKDEEQ-INIZCTEOSA-N	296.458	5.045	0	20	CKAD	
CC(C)OCCS[C@H](C)c1ccc2ccccc2c1	303007503	WBBUEVFREIKQQZ-CQSZACIVSA-N	274.429	5.059	0	20	CKAD	
Cc1c(CSC(C)C)cccc1NC(=O)CC(C)(C)C	304117818	ZQRICQDTHXCUKK-UHFFFAOYSA-N	293.476	5.011	0	20	CKAD	
COc1ccc2cc([C@@H](C)Nc3ccc(F)cc3)ccc2c1	386236350	RRCFFXKREORNAM-CYBMUJFWSA-N	295.357	5.161	0	20	CKAD	
Cc1cc(CN[C@@H](C)c2ccsc2)c2[nH]c(C)c(C)c2c1	482335006	SMCMWPOWJPCFGZ-AWEZNQCLSA-N	298.455	5.005	0	20	CKAD	
Cc1cnc([C@@H](C)SCc2ccc(C(C)C)cc2)o1	537796582	XSNAFJNUWOLIDX-CYBMUJFWSA-N	275.417	5.101	0	20	CKAD	
CCCC[C@H](CC)CC(=O)N1CCC[C@H]1c1ccsc1	604939089	IOSQBQPQVIEEPK-HOCLYGCPSA-N	293.476	5.018	0	20	CKAD	
CCC(CC)[C@H](NCc1ccccc1F)c1cccs1	620760563	JAIPBOXGYIXBSP-KRWDZBQOSA-N	291.435	5.154	0	20	CKAD	
CCC(CC)(CC)[S@@](=O)[C@@H]1CCc2cc(Cl)ccc21	794818223	RQRDYKLRZGLWJG-BEFAXECRSA-N	298.879	5.045	0	20	CKAD	
CC(C)c1ccc(N[C@@H](C)c2ccc(C(C)(C)O)cc2)cc1	863989544	SBRVAHQQAVLPOS-HNNXBMFYSA-N	297.442	5.211	0	20	CKAD	
Cc1ccc(C)c(N[C@@H](C)c2ccc(OC(F)F)cc2)c1	21501074	QABWXSKMBNTCDU-ZDUSSCGKSA-N	291.341	5.078	0	20	CKAD	
Cc1cc([C@@H](C)NCc2ccc(F)cc2Cl)c(C)s1	47944128	XORQWMXCURISLK-SNVBAGLBSA-N	297.826	5.008	0	20	CKAD	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(Cl)s1)CC2	149488033	IKEMWJSDIPOPML-FZMZJTMJSA-N	291.847	5.048	0	20	CKAD	
CCCOc1ccccc1N[C@@H](C)c1csc(C)c1	381626650	UKUMKRSHIIXJTP-ZDUSSCGKSA-N	275.417	5.018	0	20	CKAD	
Cc1noc(C)c1CSc1ccc(-c2ccccc2)cc1	515571534	YGGBKRUKJXQZAT-UHFFFAOYSA-N	295.407	5.251	0	20	CKAD	
Cc1cc(N2CCCC[C@H]2C)ccc1N[C@@H](C)c1ccco1	538641058	XCHPDVRHPSJKCK-CVEARBPZSA-N	298.430	5.140	0	20	CKAD	
CC(C)Sc1ccccc1NCc1ccc(Cl)o1	676325999	RURMDAXVOCVUHF-UHFFFAOYSA-N	281.808	5.046	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)/C=C\C2CCCCC2)c1C	765183666	ULYYSKYQRCVREL-LUAWRHEFSA-N	291.822	5.032	0	20	CKAD	
CC(C)[C@@H](N[C@@H](C)c1ccccc1F)c1ccc(F)cc1	36968162	QIFXDULROAMUAI-SCLBCKFNSA-N	289.369	5.013	0	20	CKAD	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2ccc(C)s2)c1	37103442	KXYKVNGGJKYAJI-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
CC[C@H](N[C@H]1CCSc2ccccc21)c1cccs1	37127996	PUWHECYDLGRNSV-KBPBESRZSA-N	289.469	5.026	0	20	CKAD	
Cc1oc2ccccc2c1C(=O)Nc1ccccc1C(C)C	184876758	NINVRWODQCONHL-UHFFFAOYSA-N	293.366	5.117	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)c1ccco1)c1ccccc1	315926699	UVVJIWVBZLCJFX-AZUAARDMSA-N	291.394	5.110	0	20	CKAD	
Cc1cc(C)cc([C@H](C)N[C@H](c2ncccc2C)C(C)C)c1	483141028	IZHWTYHMOKNTMI-HKUYNNGSSA-N	296.458	5.055	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccsc1)c1ccc(Cl)s1	511019545	UDKJCHZYXPCKLK-KOLCDFICSA-N	285.865	5.265	0	20	CKAD	
C[C@H](SCc1ncc(C2CC2)o1)c1ccc(Cl)cc1	536297502	VTMTVKRLOLXHRX-JTQLQIEISA-N	293.819	5.200	0	20	CKAD	
Fc1ccc(N[C@H]2CCCNc3ccccc32)cc1C1CC1	545980820	YNXHIXALVXHRHO-IBGZPJMESA-N	296.389	5.062	0	20	CKAD	
CC[C@@H](N[C@H](C)c1csc2ccccc12)c1ccccc1	732918632	QLXPVFZOPUDKCF-RDTXWAMCSA-N	295.451	5.703	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cc3ccccc3[nH]2)c1C	775632080	GOSMMZBFGAPBGJ-HZPDHXFCSA-N	292.426	5.197	0	20	CKAD	
C[C@H](Nc1ccccc1C(C)(F)F)c1cccnc1Cl	834881259	MDILZSWBYLWSSC-JTQLQIEISA-N	296.748	5.020	0	20	CKAD	
CC(C)c1ccc(CN[C@H]2CCSc3ccccc32)cc1	34992432	DSHKROALSQRCQU-SFHVURJKSA-N	297.467	5.137	0	20	CKAD	
CC(C)[C@H](N[C@H](C)c1ccccc1)c1ccc(Cl)cc1	35054098	DNRKXJPCHHBTFO-KDOFPFPSSA-N	287.834	5.388	0	20	CKAD	
Cc1cscc1CN[C@@H](C)c1cccc2ccccc12	94878078	XOKXFBPZBLUTCN-AWEZNQCLSA-N	281.424	5.061	0	20	CKAD	
C/C=C\c1ccc(NCc2cc(F)cc3cccnc23)cc1	342274335	HNMAWEDHXJAXTD-RQOWECAXSA-N	292.357	5.019	0	20	CKAD	
C[C@@H](Nc1ccccn1)c1ccccc1Oc1ccccc1	506771259	XFEVSRHYDCWKLS-OAHLLOKOSA-N	290.366	5.047	0	20	CKAD	
CCc1cccc(C)c1NC(=O)[C@@H](C)CC1CCCCC1	510190096	MPBUQQHLAMLOPQ-HNNXBMFYSA-N	287.447	5.102	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccc(Cl)s1	532222390	XKTJWOUZKVSTGW-GXFFZTMASA-N	297.826	5.343	0	20	CKAD	
CCSCc1cccc(N[C@@H](C)c2ccsc2)c1	538640927	UQBPTCBAJQVLII-LBPRGKRZSA-N	277.458	5.174	0	20	CKAD	
C[C@H](CCC(F)(F)F)Nc1cccc2ccsc12	543414007	LCRFHEOFKYOMLF-SECBINFHSA-N	273.323	5.044	0	20	CKAD	
FC(F)c1cccc(CSC[C@H]2CC2(Cl)Cl)c1	794427425	NVRXIBVPIBMTJW-SNVBAGLBSA-N	297.197	5.051	0	20	CKAD	
C/C(Cl)=C\C(=O)Nc1c(C(C)C)cccc1C(C)C	900310969	VXICLSJNBCZQHH-FMIVXFBMSA-N	279.811	5.015	0	20	CKAD	
FC(F)(F)c1ccc(/C=C/c2nc3ccccc3o2)cc1	6431092	AXWRMBRWURZZDD-JXMROGBWSA-N	289.256	5.017	0	20	CKAD	
CC[C@H](N[C@H](C)c1oc2ccccc2c1C)c1cccs1	49529430	YLIGSERLVUCPQO-HIFRSBDPSA-N	299.439	5.605	0	20	CKAD	
CCC(CC)(CC)[S@](=O)[C@@H](C)c1cccc(Cl)c1	431173215	PAYFMXOJHNXYBA-KPZWWZAWSA-N	286.868	5.119	0	20	CKAD	
COc1ccc2cc([C@@H](C)Sc3ccccn3)ccc2c1	439275523	LHPBCMFGCLTOLV-CYBMUJFWSA-N	295.407	5.097	0	20	CKAD	
CC(C)c1nc([C@@H](C)Nc2cc(F)cc(Cl)c2)cs1	469777673	ABKVWXWTBDPFOW-SECBINFHSA-N	298.814	5.232	0	20	CKAD	
CC[C@H](N[C@H](C)c1cc(C)c(C)o1)c1ccc(C)cc1	502415693	NSOBJZOSRUZCAU-PBHICJAKSA-N	271.404	5.007	0	20	CKAD	
Cc1ccc(F)c(CN[C@@H](C)c2oc3ccccc3c2C)c1	523937970	PBKKHYKLJAEBRT-AWEZNQCLSA-N	297.373	5.040	0	20	CKAD	
Cc1ccsc1CNC(C)(C)c1ccc(C(C)C)cc1	591725027	JXWXDPAXCKDIFU-UHFFFAOYSA-N	287.472	5.205	0	20	CKAD	
Cc1ccsc1[C@@H](C)Nc1cccc(SC(F)F)c1	690206656	XOCHKDSDNIQWMU-SNVBAGLBSA-N	299.411	5.544	0	20	CKAD	
CCCCCCSc1nnc(-c2ccccc2Cl)o1	730936963	OVNBLGPXHUJVIC-UHFFFAOYSA-N	296.823	5.062	0	20	CKAD	
Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C=C1CCCCC1	732745207	ORKJVEQDBKHGSQ-HXUWFJFHSA-N	299.458	5.041	0	20	CKAD	
Cc1cccc([C@H](C)SCc2ncc(C(C)C)o2)c1	754250437	WPCBZQOELIYMSC-ZDUSSCGKSA-N	275.417	5.101	0	20	CKAD	
Clc1cccc2c1oc1ccc(Br)cc12	1857523864	PJTBSZLALHUVGA-UHFFFAOYSA-N	281.536	5.002	0	20	CKAD	
Cc1cscc1CN[C@@H](c1cccs1)C1CCCC1	94878348	SKJHIDWTDONLEP-MRXNPFEDSA-N	291.485	5.139	0	20	CKAD	
CCSc1cccc(N[C@@H](C)c2ccc(Cl)nc2)c1	179880229	LPAVZGMIUYTXJZ-NSHDSACASA-N	292.835	5.020	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1cccc2ccccc12)c1ccccc1	302928113	CVSJZJAOQQJWGH-HRAATJIYSA-N	289.422	5.642	0	20	CKAD	
Cc1cccc(C(=O)Nc2ccc(SC(C)(C)C)cc2)c1	303122821	IWLREAOVUHCUMS-UHFFFAOYSA-N	299.439	5.138	0	20	CKAD	
Cc1ccc(CN[C@@H](C)c2ccc3ccccc3c2)cc1F	409604599	QEILWXCNNNFNER-HNNXBMFYSA-N	293.385	5.138	0	20	CKAD	
Cc1cc(N[C@@H](C)c2ccccc2)ccc1-c1ccncc1	427827352	QVDLACAZRPMQAA-INIZCTEOSA-N	288.394	5.230	0	20	CKAD	
C[C@@H](Nc1cccc(C(C)(F)F)c1)c1ccccc1F	435923086	NADBBCDGPPDDSK-LLVKDONJSA-N	279.305	5.111	0	20	CKAD	
CCC[C@@H](C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C	499742237	KAJLUDPUZQMXGR-TZMCWYRMSA-N	293.476	5.260	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2c(C)cccc2C)s1	545519472	MEFTVOCPEGKLQI-CABCVRRESA-N	273.445	5.085	0	20	CKAD	
CCCCCCN[C@@H](CC)c1ccc(Br)cc1	21516678	NZAMRKKLKFVHNF-HNNXBMFYSA-N	298.268	5.070	0	20	CKAD	in-vitro
Cc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)s1	37070888	GRBVWXAFKAWJBU-STQMWFEESA-N	285.412	5.215	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1csc(C)c1)c1cccc(Cl)c1	381327303	AIGZEMQYDXCPQU-BLLLJJGKSA-N	293.863	5.512	0	20	CKAD	
Cc1ccnc([C@@H](C)Nc2ccccc2SC(C)C)c1	552290672	QHDZSGJVPDIQER-CQSZACIVSA-N	286.444	5.064	0	20	CKAD	
CC(C)(C)c1ccc(CN[C@H](c2cccs2)C2CC2)cc1	556189680	IASQLLCSDZCABS-SFHVURJKSA-N	299.483	5.287	0	20	CKAD	
C/C=C/c1ccc(N[C@H](C)c2nccc3ccccc23)cc1	580921604	SHYYDMXTBOOWAV-YFCVBGDOSA-N	288.394	5.441	0	20	CKAD	
CC[C@@H](NCc1ccc(SC)s1)c1ccc(C)cc1	581577233	UCRICSADFLGSDW-OAHLLOKOSA-N	291.485	5.019	0	20	CKAD	
Cc1cccc([C@@H](C)N[C@H](C)c2cc3ccncc3s2)c1	658030530	DSMYYNCVDZLDFY-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
C[C@@H](SCc1cccc(Cl)n1)c1ccc(F)cc1F	743248375	AYRIGPDBRIIYQX-SECBINFHSA-N	299.773	5.008	0	20	CKAD	
CCCCC[C@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl	915311575	MXYIHHUFLYFUIO-ZDUSSCGKSA-N	296.842	5.047	0	20	CKAD	
CC/C=C(/C)C(=O)Nc1ccccc1Oc1cccc(C)c1	918549317	HPTVUVQSFOBPKX-NVNXTCNLSA-N	295.382	5.082	0	20	CKAD	
C[C@H](Nc1ccc2ccccc2c1)c1ccccc1F	36952023	NVJXAQUFAUXZGI-ZDUSSCGKSA-N	265.331	5.152	0	20	CKAD	
CC[C@@H](N[C@H](c1cccs1)C1CC1)c1cccs1	42331751	QTEGMQXVZBTLPR-DOMZBBRYSA-N	277.458	5.002	0	20	CKAD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1	315526606	IRARPYDYQHHBAJ-IAGOWNOFSA-N	297.442	5.194	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1C(C)C	475614117	UVJAVZJWABVQFG-IRXDYDNUSA-N	287.447	5.164	0	20	CKAD	
Cc1cc2cc(N[C@H](C)c3cccc(Cl)c3)ccc2[nH]1	500286854	JDOCSWGDDUWVMQ-GFCCVEGCSA-N	284.790	5.303	0	20	CKAD	
Cc1coc(-c2ccc(C)c(N[C@@H](C)c3ccccc3)c2)n1	532095194	BTACZEVSVNDVFR-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
Cc1cc([C@@H](C)N[C@@H]2CCc3c(C)cccc32)c(C)s1	539080406	UWUMKQRYXXQBFY-FZKQIMNGSA-N	285.456	5.011	0	20	CKAD	
C[C@H]1CSC(S[C@H](C)c2cccc3ccccc23)=N1	766298879	NPFDYURZQFRHGC-NWDGAFQWSA-N	287.453	5.125	0	20	CKAD	
CCCCN(C(=O)/C(C)=C(/C)CC)[C@H](C)c1ccc(C)o1	779830500	WACIOMARNJSVDO-UGEDRFTOSA-N	291.435	5.024	0	20	CKAD	
CC[C@H](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1	7608111	LBGWBDKMRZUBAR-HNAYVOBHSA-N	295.426	5.072	0	20	CKAD	
Cc1cccc([C@H](C)N[C@H](C)c2ccccc2Cl)c1	37219124	VNANSCPSNRCGCP-UONOGXRCSA-N	273.807	5.060	0	20	CKAD	
CC[C@@H](N[C@@H](C)c1nc2ccccc2s1)c1ccccc1	51626345	KLFRPJLZHFQPFD-DZGCQCFKSA-N	296.439	5.098	0	20	CKAD	
Cc1nc(C)c(CS[C@@H](C)c2ccc(F)cc2F)s1	437279715	DTVABQQGVSHXCF-VIFPVBQESA-N	299.411	5.033	0	20	CKAD	
CCCc1cccc(C(C)C)c1NC(=O)C[C@H]1C=CCCC1	472681328	CNCWCQAGVMLARZ-INIZCTEOSA-N	299.458	5.447	0	20	CKAD	
CC(C)c1ccc(NC(=O)[C@H]2CC=CCC2)c(C(C)C)c1	512396218	JWHYRVDZYXLLEX-HNNXBMFYSA-N	285.431	5.228	0	20	CKAD	
CC[C@H](CC(=O)Nc1ccccc1-c1ccccc1)C(C)C	591110290	PLUHBEVHIBEIDW-MRXNPFEDSA-N	295.426	5.364	0	20	CKAD	
Cc1noc([C@@H](C)S[C@H](C)c2ccc3ccccc3c2)n1	604058146	JAYRBPOLPHQGBT-VXGBXAGGSA-N	298.411	5.087	0	20	CKAD	
Clc1cccc(SCc2ccc3ccccc3n2)c1	605446615	JEDJNGSGEMCJCL-UHFFFAOYSA-N	285.799	5.181	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2cccc(N3CCCCC3)c2)c1	743471923	FPSBIGBIRONVTE-QGZVFWFLSA-N	294.442	5.158	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc3ccccc3n2)s1	765300053	MBDKKGZLMQQFFK-ZIAGYGMSSA-N	296.439	5.017	0	20	CKAD	
Cc1cc(Cl)ccc1CNc1ccccc1C(F)F	864015624	AQTFTFVCSLHQTA-UHFFFAOYSA-N	281.733	5.198	0	20	CKAD	
CCCCCCSc1nnc(-c2ccc(Cl)cc2)o1	915791660	ASZXORBSJLVAON-UHFFFAOYSA-N	296.823	5.062	0	20	CKAD	
CCC/C(C)=C/C(=O)Nc1ccc(Nc2ccccc2)cc1	920284411	KXDUWHIAPDHKKW-CCEZHUSRSA-N	294.398	5.115	0	20	CKAD	
CCCCN(CCCC)C(=O)Nc1c(C)cc(C)cc1C	26393545	HOSMQDIXYCWRRT-UHFFFAOYSA-N	290.451	5.046	0	20	CKAD	
Cc1ccoc1C(=O)Nc1ccc(C(C)C)cc1C(C)C	27137792	LNTNASRZKLZQLR-UHFFFAOYSA-N	285.387	5.087	0	20	CKAD	
CC[C@H](NCc1cccc2ccccc12)c1ccccc1	50198402	RLLWEDPKBMQXSE-FQEVSTJZSA-N	275.395	5.081	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccsc1)c1ccc(C(F)(F)F)cc1	50342427	FJGDIETWKDRWIG-QWRGUYRKSA-N	299.361	5.179	0	20	CKAD	
C[C@@H](Sc1ccnc2ccccc12)c1ccc(F)cc1	111217378	ANHBKIXIWOIDGU-GFCCVEGCSA-N	283.371	5.227	0	20	CKAD	
Cc1ccc([C@@H](C)N[C@@H](C)c2csc(Cl)c2)s1	230408482	IAWIVSQELZSHCB-VHSXEESVSA-N	285.865	5.183	0	20	CKAD	
CSc1cccc(N[C@@H](C)c2csc(Cl)c2)c1	230411384	JJBIBFYRIIHMRS-VIFPVBQESA-N	283.849	5.297	0	20	CKAD	
CC[C@H](N[C@H](c1ccccc1)C(C)C)c1ccsc1	382138029	QAWCSOOMQSIRCU-IRXDYDNUSA-N	273.445	5.186	0	20	CKAD	
CC(C)c1ccccc1NCc1ncc(-c2cccs2)o1	467260727	ONJSFUZWZHSNSG-UHFFFAOYSA-N	298.411	5.139	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H](C)C1	540648781	DNMGZTLLWFMWMJ-LSDHHAIUSA-N	287.447	5.308	0	20	CKAD	
Cc1cnc([C@H](C)S[C@H]2CCc3c(Cl)cccc32)o1	552302771	IEAOJUMLBRKIFP-HZMBPMFUSA-N	293.819	5.118	0	20	CKAD	
C[C@@H](Nc1ccc2ccccc2c1)c1ccc2c(c1)COC2	776782182	GBMDWUBCBCHSDR-CQSZACIVSA-N	289.378	5.043	0	20	CKAD	
CCC(CC)C(=O)Nc1ccc(-c2ccccc2)cc1C	915857021	JFXJJLONNNIPJC-UHFFFAOYSA-N	281.399	5.037	0	20	CKAD	
CCCCCCC(=CC(=O)OCC)CCCCCC	5308483	NEYBYVXMAULVBN-UHFFFAOYSA-N	268.441	5.417	0	20	CKAD	
CC[C@@H](N[C@H](c1ccc(C)cc1)C1CC1)c1cccs1	49529471	BATSRBKYKRDEGO-SJLPKXTDSA-N	285.456	5.249	0	20	CKAD	
Cc1ccnc([C@H](C)N[C@@H](C)c2cc3ccccc3s2)c1	285994977	IHLWMBJWVRVUBQ-KBPBESRZSA-N	296.439	5.017	0	20	CKAD	
CCC[C@H](N[C@@H](c1cccs1)C1CC1)c1ccsc1	443093278	YLAJLKRDWWUWKD-GOEBONIOSA-N	291.485	5.392	0	20	CKAD	
CCC[C@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1	443098176	ZDPDYWUJORIJMK-GUYCJALGSA-N	289.444	5.409	0	20	CKAD	
Cc1ccc(-c2ccc(C)c(N[C@@H](C)c3ccccn3)c2)o1	475506195	XFYWMNJIVMWOQV-HNNXBMFYSA-N	292.382	5.132	0	20	CKAD	
CCc1ccc([C@H](C)N[C@H](CC)c2ccc(Cl)s2)o1	483137678	VCJBQBWDWKCPEQ-CMPLNLGQSA-N	297.851	5.359	0	20	CKAD	
CC(C)c1cccc(N[C@@H](c2ccc(F)cn2)C(C)C)c1	498748735	OFKIEQACZJHQLF-GOSISDBHSA-N	286.394	5.153	0	20	CKAD	
CO[C@H](C)c1cccc(N[C@H](c2ccc(F)cc2)C2CC2)c1	540835359	KBHLBGAHXKNNEP-YJYMSZOUSA-N	299.389	5.096	0	20	CKAD	
Cc1ccc(NCc2ccccc2CC(F)(F)F)c(C)c1	630062435	ZALWMGAZXTVYIL-UHFFFAOYSA-N	293.332	5.020	0	20	CKAD	
C[C@@H](c1cccc(-c2cncc(C(F)F)c2)c1)C(F)F	665215823	FWYVYWQTTYTSEE-VIFPVBQESA-N	283.268	5.055	0	20	CKAD	
C/C(=C/C(=O)Nc1ccccc1-c1ccccc1)C(C)(C)C	742496487	QKBAGLWPHSNSKZ-PFONDFGASA-N	293.410	5.285	0	20	CKAD	
C[C@H]1CC/C(=C\C(=O)Nc2ccccc2-c2cccs2)C1	753576754	GYMZVLJOUIQFSK-REQDGWNSSA-N	297.423	5.100	0	20	CKAD	
CC[C@@H](Nc1cccc(C2SCCS2)c1)C(C)C	777234563	KSJBHNZXCHBVEX-CQSZACIVSA-N	281.490	5.012	0	20	CKAD	
C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1cccs1	20148281	BFNUDWXPQWCMOB-GHMZBOCLSA-N	299.361	5.179	0	20	CKAD	
Cc1ccccc1[C@H](C)NCc1cc(Cl)cc(Cl)c1	37423600	WFRKFDFGDPSVHU-LBPRGKRZSA-N	294.225	5.153	0	20	CKAD	
CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ccoc1	177039959	DDOCKLLLWIKBJM-UHFFFAOYSA-N	299.414	5.098	0	20	CKAD	
CC(C)[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1	224973165	OGYRZVLFGFBXNS-FZKQIMNGSA-N	289.369	5.013	0	20	CKAD	
C[C@@H](Nc1ccc2c(c1)COC2)c1cccc2ccccc12	389016369	KVCCOIXIZRVEBN-CQSZACIVSA-N	289.378	5.043	0	20	CKAD	
C[C@@H](Nc1cccc(C2CCC2)c1)c1ncc(C(C)(C)C)o1	461099927	GYQVMDMTAXBEIT-CYBMUJFWSA-N	298.430	5.413	0	20	CKAD	
Cc1cccc(N[C@@H](C)c2nccc3ccccc23)c1C	520666935	VIBVUTVJKOLYRA-HNNXBMFYSA-N	276.383	5.025	0	20	CKAD	
CC[C@H](Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1F	606468007	SFBBBVFPCUBIOY-INIZCTEOSA-N	286.325	5.009	0	20	CKAD	
Cc1ccc(Cl)c(NC(=O)C=C2CCC(C)CC2)c1C	765182201	LUNIQBXVMMDCQR-UHFFFAOYSA-N	291.822	5.032	0	20	CKAD	
C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1cccc(Cl)c1	20559751	FCWZCRJWDJNFAI-QWRGUYRKSA-N	295.760	5.030	0	20	CKAD	
C[C@H](N[C@@H](c1cccs1)C1CC1)c1cccc(Cl)c1	42328847	WOQWIPWBWYRCJN-MEDUHNTESA-N	291.847	5.203	0	20	CKAD	
CCCc1nnc(S[C@H](C)c2ccc3ccccc3c2)o1	122049273	LDVNVTDZXHCSDC-GFCCVEGCSA-N	298.411	5.029	0	20	CKAD	
Cc1ncc(CSc2cc(Cl)ccc2Cl)s1	195595258	UDGPCDJJOGECKD-UHFFFAOYSA-N	290.240	5.051	0	20	CKAD	
CC[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccsc1	382140146	QLAKWWRMOKXAHR-ABAIWWIYSA-N	279.836	5.203	0	20	CKAD	
Cc1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1Cl	476550695	QVERURNGMAQGBJ-NSHDSACASA-N	292.810	5.107	0	20	CKAD	
CC(C)c1cccc(N[C@H](C)c2cnn(C3CCCC3)c2)c1	502388451	DSQOIPYSRAJZCY-OAHLLOKOSA-N	297.446	5.295	0	20	CKAD	
CCC(CC)CN(CC)C(=O)Nc1ccccc1C(C)C	503308854	GMMFAGTUEFVHKJ-UHFFFAOYSA-N	290.451	5.100	0	20	CKAD	
Cc1cccc([C@@H](C)Nc2ccc(COC(C)C)cc2)c1	525761970	YLDQLVGLGHIDDD-MRXNPFEDSA-N	283.415	5.093	0	20	CKAD	
CC[C@H](N[C@H](C)c1ccc(C)s1)c1cc(F)ccc1F	539080573	VJLJSNOFGJTKKS-ABAIWWIYSA-N	295.398	5.137	0	20	CKAD	
Cc1ccsc1[C@H](C)N[C@@H](C)c1c(C)cccc1C	574681033	HXIHKINRUUHXIB-GJZGRUSLSA-N	273.445	5.085	0	20	CKAD	
CC[C@H](N[C@@H](C)c1ccc(C)cc1)c1ccc(F)cc1F	606466980	DXNZLLMTHAIRCX-UGSOOPFHSA-N	289.369	5.075	0	20	CKAD	
Cc1nc(C(C)C)sc1[C@H](C)N[C@H](C)c1ccsc1	669851160	WDESVNYATLVMRI-MNOVXSKESA-N	294.489	5.048	0	20	CKAD