smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	217028536	PEAJTTDCTRHHSL-GOSISDBHSA-N	460.534	4.988	70	20	JJID	
COC(=O)c1cc(CN(C)Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)oc1C	217942607	CRAOILWCZRDBKD-UHFFFAOYSA-N	462.575	4.772	70	20	JJID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N1N=C(c2cccs2)C[C@H]1c1ccco1	217755121	DBCXMLQUSOTTOB-KRWDZBQOSA-N	478.599	4.759	70	20	JJID	
O=C(c1cccc(S(=O)(=O)F)c1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	1336949761	RTIOANYSZYBGIN-UHFFFAOYSA-N	453.322	4.889	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1	217157300	XHZKARQLXWCYGE-FQEVSTJZSA-N	476.627	4.779	70	20	JJID	
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1	217973842	PDHISJFLKUSASK-UHFFFAOYSA-N	458.584	4.554	70	20	JJID	
Cc1nc2ccccc2n1CCCNC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1	218233490	WROXGXYBKQKTDO-UHFFFAOYSA-N	487.560	4.666	70	20	JJID	
COc1ccc([C@H](CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)N2CCOCC2)cc1	216918976	GWXTUDOLDYZILD-SZNDQCEHSA-N	470.372	4.575	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1	217157470	KXIDPKNIWDUNDU-FQEVSTJZSA-N	476.627	4.779	70	20	JJID	
O=c1c2ccccc2nc(SCc2ccc(S(=O)(=O)C(F)F)cc2)n1C1CCCC1	216866174	PVIGEIBBOJUHKD-UHFFFAOYSA-N	450.532	4.800	70	20	JJID	
COC(=O)c1cc(CN(C)Cn2nc(COc3ccccc3Cl)n(C3CC3)c2=S)oc1C	217131846	ISJCUMAURAITIG-UHFFFAOYSA-N	476.986	4.759	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)cc1)C(F)F	217510012	POEGAWZFSUDDCJ-UHFFFAOYSA-N	492.617	4.601	70	20	JJID	
CCCCCn1c(=O)c2ccccc2n2c(SCc3ccc(S(=O)(=O)C(F)F)cc3)nnc12	216863858	KVHXEYFUIYKHGL-UHFFFAOYSA-N	492.573	4.523	70	20	JJID	
Cc1cc(-c2csc(NC(=O)c3ccccc3OCC(N)=O)n2)c(C)n1CCc1ccccc1	216636451	NOGNAVBNBIYCPC-UHFFFAOYSA-N	474.586	4.588	70	20	JJID	
Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC=C(c4ccc(O)cc4)CC3)c2)cc1	216882429	UNHUTAOVFFTEAM-UHFFFAOYSA-N	462.571	4.739	70	20	JJID	
CCOc1ccc([C@@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)cc1OCC	216771009	RWOQKZTXGODYQA-FOIQADDNSA-N	477.399	4.691	70	20	JJID	
Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)n(-c2ccc(F)cc2)n1	218443862	OLJIFUJYNCUYGC-UHFFFAOYSA-N	482.512	4.820	70	20	JJID	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2)cc1C	216884200	MMBHGPLLTVVDDJ-UHFFFAOYSA-N	462.571	4.739	70	20	JJID	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(S(=O)(=O)F)cc1	865204960	BZGBUROQKYLQER-UHFFFAOYSA-N	463.552	4.656	70	20	JJID	
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC=C(c4ccc(O)cc4)CC3)c2)c1	216882733	ZKFZCLQDSHDTGE-UHFFFAOYSA-N	462.571	4.739	70	20	JJID	
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1	217355485	MPVSMNPUROLQBT-UHFFFAOYSA-N	450.543	4.557	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1	218015292	YBRYDTWTLODPGE-FQEVSTJZSA-N	485.679	4.845	70	20	JJID	
O=c1c2ccccc2nc(SCc2ccc(S(=O)(=O)C(F)F)cc2)n1Cc1ccccc1	216864621	WXMARVALZZUIAH-UHFFFAOYSA-N	472.538	4.733	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1C)c1ccc(Br)cc1	216770141	AFKUKTJTKSXGSN-KRWDZBQOSA-N	454.162	4.726	70	20	JJID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)Nc1ccc(OC(F)F)c(Cl)c1	216784318	BKBYNOIERHKQFP-UHFFFAOYSA-N	453.898	4.620	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1	217154393	PIQZUZLRXZSSPT-RDJZCZTQSA-N	474.677	4.875	70	20	JJID	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4cc(C)nn4-c4ccc(F)cc4)cc3C2=O)c1	217348678	GIVKFXUYEBXBDN-UHFFFAOYSA-N	468.488	4.990	70	20	JJID	
CC(=O)c1ccc(N2CCN(C(=O)CSc3nc(-c4ccc(F)cc4)cs3)CC2)c(F)c1	217147133	RWCFHUATSHLXTP-UHFFFAOYSA-N	473.570	4.732	70	20	JJID	
O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2C(=O)c1cccc(S(=O)(=O)F)c1	1337520439	YQFMOUXUKFQHRM-UHFFFAOYSA-N	471.485	4.721	70	20	JJID	
O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1cccc(S(=O)(=O)F)c1	1348708728	ZNEPSOMBDPNTJX-QFIPXVFZSA-N	452.507	4.574	70	20	JJID	
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)C(C)C)cc1	216717676	LIHOZLGKRLAVGJ-JOCHJYFZSA-N	460.559	4.760	70	20	JJID	
CN(C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl)C1CCCCC1	865206666	PWACAHCSDVQKNE-UHFFFAOYSA-N	452.935	4.655	70	20	JJID	
CCOc1ccc([C@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)cc1OCC	216771056	RWOQKZTXGODYQA-MGPUTAFESA-N	477.399	4.691	70	20	JJID	
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	217604984	PASSHAQWMKZWJX-OAQYLSRUSA-N	484.419	4.971	70	20	JJID	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)F)cc2)nnc1-c1ccc(Cl)cc1Cl	865204118	FYERABFMJDOGIQ-UHFFFAOYSA-N	489.381	4.661	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Br)cc1	216765573	LPMXCLGAOBBZGI-NRFANRHFSA-N	496.409	4.640	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1	217154404	PIQZUZLRXZSSPT-NVXWUHKLSA-N	474.677	4.875	70	20	JJID	
CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865205184	UEJKWYUYSPURFW-UHFFFAOYSA-N	453.289	4.577	70	20	JJID	
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	216877359	IIDLFHYHJSIGCD-UHFFFAOYSA-N	457.452	4.977	70	20	JJID	
O=C(c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)N1CCN(CCN2CCCC2)CC1	218376133	CBGSNCVJMUTEIO-GYHWCHFESA-N	466.629	4.575	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12	217152474	AZMIQWAEKRJRAH-IBGZPJMESA-N	495.674	4.780	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2ccccc2Cl)n1C	217155484	CXQCABBLJPUJNT-MRXNPFEDSA-N	463.028	4.737	70	20	JJID	
Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc(Sc4nncn4C)cc3)cc12	217833769	ROCHFLGAXZSOHV-UHFFFAOYSA-N	460.588	4.987	70	20	JJID	
COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1ccc(S(=O)(=O)C(F)F)cc1)CC2	216899428	BVPJQSRUNVXZSD-JOCHJYFZSA-N	479.570	4.909	70	20	JJID	
Cc1ccc(N(CCC(=O)N[C@@H](C)c2cccnc2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	216694693	XLHHESYPIDGVJV-SFHVURJKSA-N	491.535	4.872	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1	217159566	STBPIUKTDPGJPP-FQEVSTJZSA-N	467.664	4.947	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cc1)C(F)F	216872411	SJQHVFFADOUBGZ-UHFFFAOYSA-N	484.981	4.810	70	20	JJID	
O=C(CSc1nc(-c2ccc(F)cc2)cs1)NCc1ccc(C(=O)N2CCCC2)cc1	218622540	RXDAXJRHRQACSH-UHFFFAOYSA-N	455.580	4.594	70	20	JJID	
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(CN2CCOCC2)cc1	216877048	IAAOFIDFJKSSMM-UHFFFAOYSA-N	457.983	4.768	70	20	JJID	
CCOc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c(OCC)cc1NC(=O)c1ccccc1	865205656	IYDHZQFCDXZXFF-UHFFFAOYSA-N	486.521	4.647	70	20	JJID	
COc1ccc(-c2nc(CN3CCN(c4cc(C(=O)NC5CC5)c5ccccc5n4)CC3)cs2)cc1	218060420	MXLURBWMQBYJPA-UHFFFAOYSA-N	499.640	4.581	70	20	JJID	
Cc1cc(C(=O)CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1-c1nccs1	217122360	NTTACXRTKPSGHX-HNNXBMFYSA-N	465.608	4.739	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1	217155795	WKVJTDIOGRDOST-LJQANCHMSA-N	465.604	4.671	70	20	JJID	
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CC=C(c2ccc(O)cc2)CC1	216882608	YLYDGAUAWGRHMB-UHFFFAOYSA-N	466.534	4.570	70	20	JJID	
Cc1cc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)n(-c2ccc(F)cc2)n1	217349669	JRBXKJDLGDEJAG-HSZRJFAPSA-N	473.508	4.850	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N	217139167	BYDILPFOAWMKJO-HNNXBMFYSA-N	468.435	4.655	70	20	JJID	
Cc1ccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1	217816816	JWBMNOOGUNQZCP-FQEVSTJZSA-N	474.586	4.532	70	20	JJID	
COc1ccc(-c2cc(C(=O)N3CCn4c3nc3ccccc34)c3ccccc3n2)cc1OC	217742532	XCMWROKMLVINOE-UHFFFAOYSA-N	450.498	4.929	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1)C(F)F	216860699	VXFAQOOIMFWTLY-QGZVFWFLSA-N	483.537	4.552	70	20	JJID	
CCCCN1C(=O)CC[C@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1OC	216888549	RGBBTOVMNUIQIN-IGKIAQTJSA-N	462.590	4.797	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1	218013612	XREBVCOOEKPKOS-LJQANCHMSA-N	471.652	4.599	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N1CCC(CCc2ccccc2)CC1)c1ccc(Br)cc1	217585686	CBRZOBJQXSKHNZ-QHCPKHFHSA-N	457.412	4.888	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)cc1	218181502	HNDNZMLTXOTVBY-IBGZPJMESA-N	486.391	4.969	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2cc(C)ccc2C(C)C)n1N	217159463	IMEWTFRJBBKFJN-LJQANCHMSA-N	485.679	4.692	70	20	JJID	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	218382997	IGOBZRYAEGJXRL-QHCPKHFHSA-N	453.494	4.509	70	20	JJID	
CN(C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C1CCCCCC1	217148192	WEWGRSRGYUKZNV-UHFFFAOYSA-N	490.616	4.869	70	20	JJID	
COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)N2CCOCC2)cc1	216918954	GWXTUDOLDYZILD-SPLOXXLWSA-N	470.372	4.575	70	20	JJID	
CCOc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)CC2)cc1	217486257	YLUOOELPCJIQNT-LEWJYISDSA-N	460.496	4.629	70	20	JJID	
Cc1cc(-c2cc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c3cnn(C(C)C)c3n2)c(C)o1	217993928	LNUKWQRSTMPEPW-UHFFFAOYSA-N	473.577	4.974	70	20	JJID	
CSCC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1)c1nnc2ccccn12	217065876	ARVIXPRWTVSDIC-IBGZPJMESA-N	476.631	4.721	70	20	JJID	
COc1ccc(-c2noc(CCC(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)n2)cc1	217789076	MBOLADBCUBRFGS-UHFFFAOYSA-N	457.515	4.988	70	20	JJID	
O=S(=O)(c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)C(F)F	217087423	XXPYIBXDWKGZMZ-UHFFFAOYSA-N	456.558	4.590	70	20	JJID	
O=C(c1cc(Br)ccc1I)N1CC=C(c2ccc(O)cc2)CC1	216849607	IPJXVDLZHJBRSJ-UHFFFAOYSA-N	484.131	4.689	70	20	JJID	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	218646121	KWKSJVHFPQNSSK-IAGOWNOFSA-N	477.561	4.891	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1	217160402	UCYGUHQGKLSBKC-HXUWFJFHSA-N	451.617	4.817	70	20	JJID	
Cc1nc(-c2cccc(NC(=O)Cn3cnc4sc5c(c4c3=O)CCCCC5)c2)cs1	216789384	MHWYIDKCWDDJBO-UHFFFAOYSA-N	450.589	4.798	70	20	JJID	
CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1	216771255	MUPOVIKYFRDRCQ-GOSISDBHSA-N	457.290	4.694	70	20	JJID	
CC(C)Cn1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nc2ccc(Cl)cc2c1=O	216863006	BLJFFTIGSXOKQU-UHFFFAOYSA-N	472.966	4.995	70	20	JJID	
Cc1nc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)sc1C	218645412	OWIILMMSOHOJPF-CQSZACIVSA-N	454.552	4.717	70	20	JJID	
Cc1noc(C)c1COc1ccc(CC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1	217479149	YEAVCXKJQDGQNH-UHFFFAOYSA-N	467.997	4.801	70	20	JJID	
Cc1ccc(S(=O)(=O)Nc2ccc(N[C@H](C)C(=O)N(C)Cc3ccccc3C)cc2)cc1	218727510	KVZCUMNMCHEMJO-HXUWFJFHSA-N	451.592	4.563	70	20	JJID	
CC(=O)N[C@H](CC(=O)N[C@H]1CCSc2c(F)cccc21)c1ccc(Br)cc1	216881736	ULMOHAGSRFQVFR-ZWKOTPCHSA-N	451.361	4.509	70	20	JJID	
Cc1cc(NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)n(-c2ccc(F)cc2)n1	217344872	DGCJLWAWEDLKAQ-RTBURBONSA-N	464.541	4.740	70	20	JJID	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1	217598539	GRVLUCXRAHZKRZ-UHFFFAOYSA-N	450.445	4.511	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	216773950	GQRGCGSFLMIABJ-XIKOKIGWSA-N	457.290	4.913	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1	217152286	FMCATEOFVHKCQP-FQEVSTJZSA-N	467.664	4.553	70	20	JJID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	865207729	OUWAEPSCYRMYKV-HSZRJFAPSA-N	487.597	4.674	70	20	JJID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1	848945198	KXLPXMAAEUHFNR-UHFFFAOYSA-N	493.925	4.535	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1	217159914	RMZQVFIZYAZEHW-HXUWFJFHSA-N	467.664	4.866	70	20	JJID	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1	216818877	QMZHCBZQNULDON-UHFFFAOYSA-N	466.588	4.751	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Br)cc1	216770048	ZOTLZDLBUBTQLK-GOSISDBHSA-N	459.340	4.697	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N	217155865	WBLPCWVLLRHXGF-LJQANCHMSA-N	485.679	4.558	70	20	JJID	
Cc1cc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)n(-c2ccc(F)cc2)n1	217354385	RMHAMDFCNRFOSB-UHFFFAOYSA-N	455.493	4.887	70	20	JJID	
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC=C(c3ccc(O)cc3)CC2)c2ccccc2)cc1	216884033	VDDWZZRCUCIPCP-UHFFFAOYSA-N	476.598	4.602	70	20	JJID	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	218148251	KOPSBUXNSRWAPC-CQSZACIVSA-N	456.942	4.626	70	20	JJID	
O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)OCc1nc2ccccc2n1C(F)F	218456106	WCKXJCQXLXSMBX-UHFFFAOYSA-N	490.557	4.585	70	20	JJID	
COCCCn1c(=O)c2ccccc2n2c(SCCOc3cc(Cl)ccc3Cl)nnc12	216795645	AKWNMTDWQQKEGA-UHFFFAOYSA-N	479.389	4.559	70	20	JJID	
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CC=C(c2ccc(O)cc2)CC1	216848005	IPWSUISUXIBHOO-UHFFFAOYSA-N	475.010	4.540	70	20	JJID	
Cc1ccc(Cn2nccc2NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1	217145046	QINIYMWOSVCBBR-UHFFFAOYSA-N	451.592	4.582	70	20	JJID	
CCn1c(SCC(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)nc2ccccc21	216818596	NBXWHZRJIAQPIA-UHFFFAOYSA-N	493.658	4.979	70	20	JJID	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)n2Cc2ccco2)C1	217749468	RJRVCWGVVZHHBS-OWCLPIDISA-N	475.018	4.569	70	20	JJID	
CC(=O)N[C@H](CC(=O)NCC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	216772922	ZOQBVOLYFNUBBW-XMMPIXPASA-N	465.391	4.965	70	20	JJID	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccnn3Cc3ccccc3Br)c12	217979072	RPLZFNJTZDXPGO-UHFFFAOYSA-N	454.328	4.914	70	20	JJID	
Cc1ccc(C2=NN(C(=O)CNc3ccccc3C(=O)N3CCCC3)[C@@H](c3ccco3)C2)cc1	216632953	ZOVYYSFXUFORKW-XMMPIXPASA-N	456.546	4.614	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1	217157465	KXIDPKNIWDUNDU-HXUWFJFHSA-N	476.627	4.779	70	20	JJID	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	216753969	KESRHMPIWQLOIM-GCJKJVERSA-N	470.616	4.988	70	20	JJID	
O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1S(=O)(=O)C(F)F	217146910	KCYWDEHELWWZGQ-UHFFFAOYSA-N	458.508	4.676	70	20	JJID	
O=C(c1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)N1CCCC1	216661819	SVJJNGBLSSYFIC-HSZRJFAPSA-N	476.964	4.959	70	20	JJID	
CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCSc2c(F)cccc21	216794074	AASXVXARHOUIBA-HXUWFJFHSA-N	456.564	4.618	70	20	JJID	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)C2)s1	218556369	CWLYZCKNMODROA-QGZVFWFLSA-N	498.655	4.768	70	20	JJID	
O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CC=C(c2ccc(O)cc2)CC1	216883969	XKYPUPOFRFPSBA-UHFFFAOYSA-N	486.952	4.915	70	20	JJID	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCOc3cc(C)ccc3C)n2)cc1	216818032	PRQJPKDCUQEXCN-UHFFFAOYSA-N	451.592	4.903	70	20	JJID	
COc1cccc([C@@H](CNc2ccccc2S(C)(=O)=O)c2c[nH]c3ccccc23)c1OC	216800692	RCZIFMWDYZCPCK-HXUWFJFHSA-N	450.560	4.833	70	20	JJID	
COCCCn1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nnc1-c1ccccc1Cl	216860076	DWXYUXMOLJHENW-UHFFFAOYSA-N	487.981	4.924	70	20	JJID	
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1sccc1S(=O)(=O)N1CCCC1	218260841	KTNXKEJASMMLQJ-UHFFFAOYSA-N	459.574	4.655	70	20	JJID	
CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1	216773282	PJWXIAOUILPXGI-KPZWWZAWSA-N	468.189	4.656	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C	217149311	FVIMOUOXEXNGFZ-OAQYLSRUSA-N	485.675	4.901	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1	217152297	WOWSJESOOSUHPB-OAQYLSRUSA-N	481.691	4.943	70	20	JJID	
O=S(=O)(c1ccc(CSc2nccn2-c2ccc(Br)cc2)cc1)C(F)F	217509089	KIUREOYIVUUKBY-UHFFFAOYSA-N	459.337	4.923	70	20	JJID	
CCOc1ccc(C(=O)N2CCC(NC(=O)[C@H]3C[C@H]3c3ccccc3C(F)(F)F)CC2)cc1	217486335	YLUOOELPCJIQNT-SFTDATJTSA-N	460.496	4.629	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1	217154413	PIQZUZLRXZSSPT-WBVHZDCISA-N	474.677	4.875	70	20	JJID	
O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1	217995010	RTUGOHKQRJALSN-UHFFFAOYSA-N	493.567	4.824	70	20	JJID	
CCOc1ccc(C(=O)N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)CC2)cc1	217486176	YLUOOELPCJIQNT-RTWAWAEBSA-N	460.496	4.629	70	20	JJID	
CC(C)C[C@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	216716949	MDHQAWNEUUGNHJ-WSTZPKSXSA-N	474.586	4.663	70	20	JJID	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12	218383073	IGOBZRYAEGJXRL-HSZRJFAPSA-N	453.494	4.509	70	20	JJID	
CC(C)C[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	216716905	MDHQAWNEUUGNHJ-NSHGMRRFSA-N	474.586	4.663	70	20	JJID	
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	217604895	PASSHAQWMKZWJX-NRFANRHFSA-N	484.419	4.971	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N	217137523	HAKWCEALPBHHRF-SFHVURJKSA-N	455.653	4.646	70	20	JJID	
COc1cc(C)c(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1OC	216763316	JAMPJTIGZDGISZ-QHCPKHFHSA-N	480.992	4.665	70	20	JJID	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)cc2)cc1	217355906	HNYVRFCRDJVJKR-UHFFFAOYSA-N	478.549	4.706	70	20	JJID	
O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(S(=O)(=O)F)cc1	865204674	DZMCIVZIPFPAAF-UHFFFAOYSA-N	458.298	4.663	70	20	JJID	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)F)c1)CCO2	1336949014	GJCDIUMSDJNEMW-JOCHJYFZSA-N	455.507	4.520	70	20	JJID	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	218646193	KWKSJVHFPQNSSK-DLBZAZTESA-N	477.561	4.891	70	20	JJID	
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc1	217028995	RGLLJNNHMWBCLK-HNNXBMFYSA-N	466.588	4.687	70	20	JJID	
Cc1cc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)c(C)n1Cc1ccco1	217748127	OOTUDOIKBQONGY-JOCHJYFZSA-N	497.665	4.728	70	20	JJID	
O=C(CSc1ccccc1C(=O)Nc1ccc2[nH]ncc2c1)NC12CC3CC(CC(C3)C1)C2	218104059	RIDVDHOBUMUPCC-UHFFFAOYSA-N	460.603	4.992	70	20	JJID	
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3s2)cn1	216718143	UXNSDCIWYWPSSW-UHFFFAOYSA-N	492.626	4.714	70	20	JJID	
O=c1c2ccccc2nc(SCc2ccc(S(=O)(=O)C(F)F)cc2)n1-c1ccc(F)cc1	216865318	RSLAQWCMZPYXAI-UHFFFAOYSA-N	476.501	4.813	70	20	JJID	
O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc(S(=O)(=O)F)cc1	865209737	FELSGDJNKSVAJM-UHFFFAOYSA-N	450.850	4.642	70	20	JJID	
CC(C)CCn1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nc2ccccc2c1=O	216863262	GEOUJAHJWUYXCK-UHFFFAOYSA-N	452.548	4.731	70	20	JJID	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1NC(=O)c1ccc(Cl)cc1F	865206703	RNHMWTYCHTVKCS-UHFFFAOYSA-N	480.876	4.651	70	20	JJID	
CCOc1ccc([C@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)cc1OCC	216771141	RWOQKZTXGODYQA-YWZLYKJASA-N	477.399	4.691	70	20	JJID	
O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	216829887	HIXDYPAMAMNWQY-KRWDZBQOSA-N	496.589	4.537	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1)C(F)F	216870426	BPDDDUPIIGEZKZ-UHFFFAOYSA-N	457.833	4.690	70	20	JJID	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4sccc4[C@@H]3CC)nnc12	217152787	TZWGMFGNHHQXAL-IBGZPJMESA-N	495.674	4.924	70	20	JJID	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)F)c2)c1	1336410465	IWFIRSPYYRRFLJ-KRWDZBQOSA-N	454.523	4.707	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)c(C)c1)c1ccc(Br)cc1	216760429	MXBXUFBLJGACBM-KRWDZBQOSA-N	454.162	4.726	70	20	JJID	
CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4sccc4[C@H]3CC)nnc12	217152434	DSZQLHHWLGNANS-GOSISDBHSA-N	481.647	4.534	70	20	JJID	
CC(=O)N[C@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1ccc(Br)cc1	216774887	VEDVBLUCEADXKK-NHCUHLMSSA-N	492.483	4.667	70	20	JJID	
Cc1cc(=O)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)nn1-c1ccccc1F	216829985	BXKXMLORKYNWLK-UHFFFAOYSA-N	457.490	4.604	70	20	JJID	
Cc1ccc(Cn2nccc2NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1	217056340	KCVOTQHGKYCSHA-UHFFFAOYSA-N	457.983	4.618	70	20	JJID	
Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)n(-c2ccc(F)cc2)n1	217347540	ZXDGUTANXAWOJI-HNNXBMFYSA-N	490.988	4.646	70	20	JJID	
O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(=O)n(Cc2ccccc2Cl)c1	217055734	YKBUZSMXGXSYHH-UHFFFAOYSA-N	497.780	4.810	70	20	JJID	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCC(=O)c3ccc(F)cc3)n2)cc1	216817774	WTMWOPSYJUIWHS-UHFFFAOYSA-N	453.539	4.620	70	20	JJID	
O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	216829855	HIXDYPAMAMNWQY-QGZVFWFLSA-N	496.589	4.537	70	20	JJID	
C[C@H]1C[C@H](C)CN(c2nnc(SCc3ccc(S(=O)(=O)C(F)F)cc3)n2Cc2ccco2)C1	218166733	XXTFGUIQNTYTLY-HOTGVXAUSA-N	496.605	4.690	70	20	JJID	
CC(C)n1ncc2c(C(=O)Nc3ccc(CN4CCOCC4)cc3)cc(-c3cccs3)nc21	217622740	SBJVHHBVDUDXDW-UHFFFAOYSA-N	461.591	4.825	70	20	JJID	
Cc1ccsc1CN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)c(Cl)c1	216647436	JDDGRFKTUMPAHG-UHFFFAOYSA-N	463.962	4.637	70	20	JJID	
COc1ccc(CCNS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)c(Cl)cc2Cl)cc1	217145149	ITTFXYNQPKANCM-UHFFFAOYSA-N	485.433	4.538	70	20	JJID	
COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N(CC(N)=O)C(C)C)cc1	217988255	NLYUVTKEDXAQGT-BAOGPQIGSA-N	457.574	4.702	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1	218013686	XREBVCOOEKPKOS-IBGZPJMESA-N	471.652	4.599	70	20	JJID	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)c2)cc1F	216882919	CBKZXIVYQKONPA-UHFFFAOYSA-N	466.534	4.570	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12	217152464	AZMIQWAEKRJRAH-LJQANCHMSA-N	495.674	4.780	70	20	JJID	
CC(=O)N[C@@H](CC(=O)NCCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	216761048	UZDQTHDOHAZZSC-SFHVURJKSA-N	458.183	4.682	70	20	JJID	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)F)cc1)CCO2	865208064	BMXJDNSHMCXTTK-QFIPXVFZSA-N	455.507	4.520	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1	216773241	PJWXIAOUILPXGI-SGTLLEGYSA-N	468.189	4.656	70	20	JJID	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)c2)c1	216887133	IAGOLHYTCDOJQR-UHFFFAOYSA-N	462.571	4.739	70	20	JJID	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c12	217969595	XJJNEWAQURUCEE-UHFFFAOYSA-N	459.344	4.506	70	20	JJID	
COC(=O)[C@@H]1CCCN1C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	218235718	XJQYSRBPFQDGCJ-INIZCTEOSA-N	452.363	4.539	70	20	JJID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N1N=C(c2ccco2)C[C@H]1c1cccs1	216788989	TVRJWZBONSJZJO-KRWDZBQOSA-N	478.599	4.759	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)cc1	216763656	NOCZIWYDJLNRLL-OAHLLOKOSA-N	461.690	4.910	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C	217155502	MQQYHHPNIRRTCS-QGZVFWFLSA-N	463.028	4.737	70	20	JJID	
Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1	217374546	OFCSPIZAMDOZGW-UHFFFAOYSA-N	479.540	4.819	70	20	JJID	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)ccc2C)c1	216882668	ZQWQRPYZXZQVTF-UHFFFAOYSA-N	462.571	4.739	70	20	JJID	
Cc1cc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)c(C)n1Cc1ccco1	217748046	OOTUDOIKBQONGY-QFIPXVFZSA-N	497.665	4.728	70	20	JJID	
CC(C)(C)c1nnc(Sc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)[nH]1	217971340	FQUGNUFZGSODHI-UHFFFAOYSA-N	466.636	4.757	70	20	JJID	
CCCCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	217911996	ARIUXEPIJSBROY-NRFANRHFSA-N	450.604	4.569	70	20	JJID	
Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)n(-c2ccc(F)cc2)n1	217363925	HDBXMMRFQMVQFC-UHFFFAOYSA-N	485.357	4.573	70	20	JJID	
COc1cccc(-c2nnc(SCc3ccc(S(=O)(=O)C(F)F)cc3)n2Cc2ccco2)c1	216867562	JFLOYQHGHLLXGI-UHFFFAOYSA-N	491.541	4.884	70	20	JJID	
COCCCNC(=O)c1c(NC(=O)c2cc(C(C)C)nc3onc(C)c23)sc2c1CCCC2	217970418	FAWOWYYJOKRVRV-UHFFFAOYSA-N	470.595	4.614	70	20	JJID	
COc1ccc(F)cc1CN1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)CC1	218373245	HNOAFXFRQZKZCV-UHFFFAOYSA-N	474.536	4.612	70	20	JJID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1	217028138	UERNZIVNDNNNOA-UHFFFAOYSA-N	453.527	4.982	70	20	JJID	
O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CC=C(c2ccc(O)cc2)CC1	216881932	SJCSZXNDCNKVHV-UHFFFAOYSA-N	468.962	4.776	70	20	JJID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)n(-c2ccc(F)cc2)n1	217341741	YNNGOGACIYBAHF-UHFFFAOYSA-N	490.560	4.714	70	20	JJID	
O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3s2)cn1	216720593	VGXOMYFLVHVHQT-UHFFFAOYSA-N	481.375	4.879	70	20	JJID	
O=c1c2ccc(Cl)cc2nc(SCc2ccc(S(=O)(=O)C(F)F)cc2)n1Cc1ccco1	216869955	UFPPDHCXLDIXDK-UHFFFAOYSA-N	496.944	4.980	70	20	JJID	
Cc1cc(Br)c(S(=O)(=O)NCc2ccc(Cl)s2)cc1Br	159662734	OPIJVXNHMWDQNU-UHFFFAOYSA-N	459.612	4.713	70	20	JJID	
COc1cc(/C=C/C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccc1OCc1c(C)noc1C	216885325	JPJACEGHQDBRIS-VZUCSPMQSA-N	460.530	4.914	70	20	JJID	
Cc1cc(Br)c(S(=O)(=O)NCc2ccc(Cl)cc2)cc1Br	159543757	JSZDJMXGWAXHHJ-UHFFFAOYSA-N	453.583	4.652	70	20	JJID	
COc1cccc([C@H](CNc2ccccc2S(C)(=O)=O)c2c[nH]c3ccccc23)c1OC	216800733	RCZIFMWDYZCPCK-FQEVSTJZSA-N	450.560	4.833	70	20	JJID	
CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)cc12	101729994	YLLYHDZQPHLAEX-UHFFFAOYSA-N	477.344	4.552	70	20	JJID	
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1	216850762	ZXOVZMCWBHSEHG-VWLOTQADSA-N	460.961	4.703	70	20	JJID	
COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)C(C)C)cc1	216717721	LIHOZLGKRLAVGJ-QFIPXVFZSA-N	460.559	4.760	70	20	JJID	
COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)c1cc(Cl)cn1C	217072698	ZBPYIACAHWFEJB-UHFFFAOYSA-N	498.786	4.503	70	20	JJID	
Cc1ccc(-c2cc(C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)c3c(C)noc3n2)cc1	217979387	UROIYZOHTARREW-HSZRJFAPSA-N	455.493	4.899	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1F)c1ccc(Br)cc1	216760350	YBZZTBJXUKPKDW-MRXNPFEDSA-N	458.125	4.557	70	20	JJID	
COc1ccc(OC)c2c1CN(C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H]2O	218405723	IHDVJTKAELQSJP-WUTVXBCWSA-N	475.385	4.830	70	20	JJID	
COc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1NC(=O)c1ccc(Cl)cc1F	1120786262	GCRJEZXKIICYJX-UHFFFAOYSA-N	480.876	4.651	70	20	JJID	
CN(Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)c1cc2ccccc2o1	1121031867	GGTGXGWVMJWNEW-UHFFFAOYSA-N	466.490	4.616	70	20	JJID	
COC(=O)c1cc(CN(C)Cn2nc(-c3ccncc3)n(-c3ccc(Cl)cc3)c2=S)oc1C	217131795	IUAXAVSZUIMGPU-UHFFFAOYSA-N	483.981	4.896	70	20	JJID	
C[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(F)c(Cl)cc1Cl	217449664	TWWWMQPZZOKUDU-GFCCVEGCSA-N	451.329	4.883	70	20	JJID	
CCOCCCn1c(=O)c2ccccc2n2c(SCCOc3cc(Cl)ccc3Cl)nnc12	216793470	JJCYJRGPVDJBOP-UHFFFAOYSA-N	493.416	4.949	70	20	JJID	
Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	216754020	KESRHMPIWQLOIM-XMSQKQJNSA-N	470.616	4.988	70	20	JJID	
CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	216768850	ACWKVUTUQCGZSC-GOSISDBHSA-N	458.183	4.982	70	20	JJID	
Cc1ccc(N(CCC(=O)NCc2nc(C)cs2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	217820189	HTHXQLVWMJOIGH-UHFFFAOYSA-N	497.564	4.681	70	20	JJID	
CC(=O)N(c1ccccc1)c1nc(Cn2cnc3sc4c(c3c2=O)CCCCC4)cs1	218060927	CWIVJIQOYYOQAG-UHFFFAOYSA-N	450.589	4.916	70	20	JJID	
Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)n(-c2ccc(F)cc2)n1	217347455	ZXDGUTANXAWOJI-OAHLLOKOSA-N	490.988	4.646	70	20	JJID	
O=C(COc1ccccc1C(=O)Nc1ccc2[nH]ncc2c1)Nc1ccc(Br)cc1	218636018	NTQGCNGNTKTDKQ-UHFFFAOYSA-N	465.307	4.595	70	20	JJID	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12	216834594	CHNPWGUZGYUISD-AREMUKBSSA-N	468.553	4.903	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C	217149319	FVIMOUOXEXNGFZ-NRFANRHFSA-N	485.675	4.901	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1	217149436	DWYMROGRCKWWAZ-HXUWFJFHSA-N	465.600	4.727	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1)C(F)F	217499769	QZRXGTHEELRTTO-UHFFFAOYSA-N	496.580	4.681	70	20	JJID	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	218646272	KWKSJVHFPQNSSK-SJORKVTESA-N	477.561	4.891	70	20	JJID	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(-c2nc3ccccc3s2)cn1	216830718	DGUJTICSCZXKJB-UHFFFAOYSA-N	492.626	4.714	70	20	JJID	
Cc1cc(C(=O)CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(C)n1-c1nccs1	217122372	NTTACXRTKPSGHX-OAHLLOKOSA-N	465.608	4.739	70	20	JJID	
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N1CCC(c2nc3ccccc3s2)CC1	217455475	VUHWJVFNCHBUHA-UHFFFAOYSA-N	457.983	4.853	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12	217148727	QHUZDNTZPGYXLW-SFHVURJKSA-N	452.605	4.889	70	20	JJID	
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(=O)N1CCCC1	217612148	NOMLUBBKFLPSDC-UHFFFAOYSA-N	460.374	4.978	70	20	JJID	
CCn1c(NC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)nc2ccccc21	217846530	QOXHBLPGVPVURS-UHFFFAOYSA-N	469.394	4.550	70	20	JJID	
CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)c1	865211156	KJPOUGUQWRQZBD-UHFFFAOYSA-N	462.543	4.712	70	20	JJID	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12	216834559	CHNPWGUZGYUISD-SANMLTNESA-N	468.553	4.903	70	20	JJID	
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(S(=O)(=O)F)cc1	865205736	KDINYZCIKZJQNL-UHFFFAOYSA-N	455.536	4.531	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)cc1	216763605	NOCZIWYDJLNRLL-HNNXBMFYSA-N	461.690	4.910	70	20	JJID	
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCOc2ccccc21	218646526	SOBNGCVFMPBPLP-KSFYIVLOSA-N	475.545	4.645	70	20	JJID	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)c12	217940681	KGLZJRTWAHYHAX-UHFFFAOYSA-N	464.547	4.732	70	20	JJID	
COC(=O)[C@H]1CCCN1C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1	218235779	XJQYSRBPFQDGCJ-MRXNPFEDSA-N	452.363	4.539	70	20	JJID	
CSc1nnc(CCCNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n1C1CCCC1	217164473	FTDUKOUXPJLWNA-UHFFFAOYSA-N	478.544	4.682	70	20	JJID	
O=C(CSCc1nc(O)c2c(-c3ccccc3)csc2n1)Nc1ccc(S(=O)(=O)F)cc1	865204395	QZHGZVRHFSSDLQ-UHFFFAOYSA-N	489.575	4.594	70	20	JJID	
Cc1cc(NC(=O)C2CCN(C(=O)Cc3c(C)nc4ccccc4c3-c3ccccc3)CC2)no1	217626597	ZJIDBKHVPNWIBB-UHFFFAOYSA-N	468.557	4.926	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1)C(F)F	216866208	DMYHIJOVDSJYGT-UHFFFAOYSA-N	472.542	4.677	70	20	JJID	
NC(=O)c1ccc(N2CCCC2)c(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1	216795143	VZORBVRRJPVUKK-JOCHJYFZSA-N	490.991	4.539	70	20	JJID	
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)c1	216827473	ZMEPLOZQHZJOOG-UHFFFAOYSA-N	466.588	4.640	70	20	JJID	
NC(=O)c1ccc(N2CCCC2)c(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1	216795186	VZORBVRRJPVUKK-QFIPXVFZSA-N	490.991	4.539	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12	217148717	QHUZDNTZPGYXLW-GOSISDBHSA-N	452.605	4.889	70	20	JJID	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)c1	216755290	ZMCXBVSXQOYRRQ-UHFFFAOYSA-N	480.615	4.950	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1	217152275	FMCATEOFVHKCQP-HXUWFJFHSA-N	467.664	4.553	70	20	JJID	
O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(S(=O)(=O)C(F)F)cc1	217146881	ZIOLWVSEZOFUTC-UHFFFAOYSA-N	458.508	4.676	70	20	JJID	
O=C(Oc1ccc(NC(=O)c2ccccc2Br)cc1)c1cccc(S(=O)(=O)F)c1	1337725079	FVTKLWBYQWVCBB-UHFFFAOYSA-N	478.295	4.579	70	20	JJID	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C	217809562	WQCNHHKSASNBCZ-VWLOTQADSA-N	468.557	4.728	70	20	JJID	
CN(C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1Cl)C1CCCCC1	1120865926	BSIPRVMQRCMKSN-UHFFFAOYSA-N	452.935	4.655	70	20	JJID	
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN1CCC(OCc2ccccc2)CC1	217105735	NMQHETKVEVNYPP-UHFFFAOYSA-N	468.575	4.805	70	20	JJID	
O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccc(S(=O)(=O)F)cc1	865207225	KMKRXWMLOMFYOK-UHFFFAOYSA-N	467.400	4.607	70	20	JJID	
O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1ccc(S(=O)(=O)F)cc1	865208107	UXNWZAWBNNBUJM-UHFFFAOYSA-N	458.364	4.942	70	20	JJID	
COc1cc(C)c(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1OC	216763264	JAMPJTIGZDGISZ-HSZRJFAPSA-N	480.992	4.665	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1	218074987	PPYGRJZHHQVRSO-LJQANCHMSA-N	470.323	4.500	70	20	JJID	
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(S(=O)(=O)F)c1	1337726156	VVDFJWNYPGKYEP-UHFFFAOYSA-N	463.552	4.656	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1	218015211	YBRYDTWTLODPGE-HXUWFJFHSA-N	485.679	4.845	70	20	JJID	
CN1CCC2(CC1)C[C@@H](NC(=O)c1cccc(OCc3cn4ccccc4n3)c1)c1ccccc1O2	217015999	SILFMAQRMFZPHB-RUZDIDTESA-N	482.584	4.631	70	20	JJID	
CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)o1	218686066	NUBLHZQPQOIBQY-MRVPVSSYSA-N	459.396	4.950	70	20	JJID	
Cc1cc(Br)c(S(=O)(=O)NCc2cccc(Cl)c2)cc1Br	159575283	SLODXPRCEKGVIY-UHFFFAOYSA-N	453.583	4.652	70	20	JJID	
Cc1ccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1	217816876	JWBMNOOGUNQZCP-HXUWFJFHSA-N	474.586	4.532	70	20	JJID	
CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(C(C)C)nc4onc(C)c34)n2)s1	217661960	VKOCIBGBWDHXEE-UHFFFAOYSA-N	455.565	4.728	70	20	JJID	
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)c2)cc1	217344270	PDXLNZBXANSXIT-UHFFFAOYSA-N	478.549	4.706	70	20	JJID	
Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)n(-c2ccc(F)cc2)n1	218444079	JCYVJVVWYMCXBS-UHFFFAOYSA-N	464.522	4.681	70	20	JJID	
CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	865205461	XXQFPPIYWUONDA-UHFFFAOYSA-N	479.576	4.542	70	20	JJID	
CN(Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)c1cc2ccccc2o1	865207681	OENXDWCNRMFCAW-UHFFFAOYSA-N	466.490	4.616	70	20	JJID	
CN1CCC2(CC1)C[C@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1O2	217053017	CYCBBFORHKLHPW-QFIPXVFZSA-N	461.587	4.718	70	20	JJID	
COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	218646347	KWKSJVHFPQNSSK-IRXDYDNUSA-N	477.561	4.891	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C	217155512	MQQYHHPNIRRTCS-KRWDZBQOSA-N	463.028	4.737	70	20	JJID	
Cc1cc(-c2cc(C(=O)Nc3c(C(N)=O)oc4ccccc34)c3cnn(C(C)C)c3n2)c(C)o1	217814954	BVCYMPKRHSCFTG-UHFFFAOYSA-N	457.490	4.986	70	20	JJID	
O=C(c1ccccc1SCc1nnnn1-c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1	218425835	GJGKFHUMDXIQIV-UHFFFAOYSA-N	469.570	4.590	70	20	JJID	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC=C(c2ccc(O)cc2)CC1	216850182	OKEGSGVCOQMHLW-NRFANRHFSA-N	479.429	4.866	70	20	JJID	
CCOC(=O)c1sc(-c2ccc(Br)cc2)cc1NC(=O)c1cnc2ccccn2c1=O	218234435	YIJJUVDKAKWGHG-UHFFFAOYSA-N	498.358	4.615	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1C)c1ccc(Br)cc1	216770194	AFKUKTJTKSXGSN-QGZVFWFLSA-N	454.162	4.726	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1F)c1ccc(Br)cc1	216760304	YBZZTBJXUKPKDW-INIZCTEOSA-N	458.125	4.557	70	20	JJID	
CC(=O)N[C@@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1ccc(Br)cc1	216774749	VEDVBLUCEADXKK-SFTDATJTSA-N	492.483	4.667	70	20	JJID	
C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCOc2ccccc21	218646439	SOBNGCVFMPBPLP-OPAMFIHVSA-N	475.545	4.645	70	20	JJID	
O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc(S(=O)(=O)F)cc1	865207147	CAXKAJPZFHCROY-JOCHJYFZSA-N	452.507	4.574	70	20	JJID	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC=C(c2ccc(O)cc2)CC1	216850156	OKEGSGVCOQMHLW-OAQYLSRUSA-N	479.429	4.866	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1	217149445	DWYMROGRCKWWAZ-FQEVSTJZSA-N	465.600	4.727	70	20	JJID	
O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)CC1	217147047	BJSKYFSIQZCJSU-UHFFFAOYSA-N	455.580	4.919	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	217152257	QVWPZBWUGALGTE-OAQYLSRUSA-N	481.691	4.612	70	20	JJID	
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(SCc2cn3ccccc3n2)cc1	218288385	ZYQPYSIOXDABGW-UHFFFAOYSA-N	458.587	4.711	70	20	JJID	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	865204272	MJHCPEAQIDXKLR-UHFFFAOYSA-N	458.536	4.636	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC	217152487	PIRSOLNYWQKUAF-LJQANCHMSA-N	492.066	4.776	70	20	JJID	
Cc1cccc2c(=O)n(CCC(=O)N(C/C=C\c3ccccc3)c3ccc4c(c3)OCCO4)cnc12	216854949	DJTWQXQKIFHZAV-POHAHGRESA-N	481.552	4.613	70	20	JJID	
COc1ccc(-c2nnc(SCc3ccc(S(=O)(=O)C(F)F)cc3)n2Cc2ccco2)cc1	216867085	ZFJWDCBRHJCYMQ-UHFFFAOYSA-N	491.541	4.884	70	20	JJID	
O=C(c1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)N1CCCC1	216638234	ZLSHUZBOMBWXKN-FQEVSTJZSA-N	464.616	4.835	70	20	JJID	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c12	217953239	XKEVBUPVZSBPFE-UHFFFAOYSA-N	478.574	4.728	70	20	JJID	
O=S(=O)(c1ccc(COc2ccc(Br)cc2Br)cc1)C(F)F	217395776	WRIPOXUDZOBCQQ-UHFFFAOYSA-N	456.102	4.787	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)cc1	218181575	HNDNZMLTXOTVBY-LJQANCHMSA-N	486.391	4.969	70	20	JJID	
CC(=O)N[C@H](CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	216773998	GQRGCGSFLMIABJ-KZULUSFZSA-N	457.290	4.913	70	20	JJID	
Cc1sc2nc(SCc3ccc(S(=O)(=O)C(F)F)cc3)n(C(C)C)c(=O)c2c1C	216868684	XBICBURHIAZZSD-UHFFFAOYSA-N	458.577	4.944	70	20	JJID	
CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4sccc4[C@@H]3CC)nnc12	217152424	DSZQLHHWLGNANS-SFHVURJKSA-N	481.647	4.534	70	20	JJID	
COc1ccc(-c2nc(CC(=O)Nc3cc(C)nn3-c3ccc(F)cc3)cs2)cc1OC	217357329	FEYPKIGMMDFIBV-UHFFFAOYSA-N	452.511	4.642	70	20	JJID	
O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1nc(-c2ccc3c(c2)CCO3)cs1	217606961	VNSVHEMENUVIGR-UHFFFAOYSA-N	468.585	4.697	70	20	JJID	
COCc1nc(OC)c2c(C)c(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)sc2n1	216839087	AKYRFFNNEKGRCY-INIZCTEOSA-N	453.568	4.548	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1)C(F)F	216860676	VXFAQOOIMFWTLY-KRWDZBQOSA-N	483.537	4.552	70	20	JJID	
CCCCN(C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	217911889	ARIUXEPIJSBROY-OAQYLSRUSA-N	450.604	4.569	70	20	JJID	
O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2C(=O)c1ccc(S(=O)(=O)F)cc1	865207473	JYHKULALDYOVJD-UHFFFAOYSA-N	471.485	4.721	70	20	JJID	
O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1	216690345	PLQNHSHJTMQTAE-RUZDIDTESA-N	477.992	4.672	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cc1)C(F)F	216872271	RDLRYLAMLRJUKE-UHFFFAOYSA-N	464.563	4.546	70	20	JJID	
Cc1sc2nc(CSc3ccc(Br)cc3)nc(N[C@H](C)C(N)=O)c2c1C	217114575	ZLQOKRGGIRNHJC-SNVBAGLBSA-N	451.415	4.649	70	20	JJID	
COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N(CC(N)=O)C(C)C)cc1	217988165	NLYUVTKEDXAQGT-CTBJKRMSSA-N	457.574	4.702	70	20	JJID	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12	217949963	RPRYMMMXGZABGB-UHFFFAOYSA-N	464.472	4.886	70	20	JJID	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1OCc1ccc2ccccc2n1	865208007	ZVAQBLZNFRMZIX-UHFFFAOYSA-N	466.490	4.733	70	20	JJID	
O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2cccc(O)c2)CC1	218130783	QUMNDGDADVTYAV-UHFFFAOYSA-N	499.518	4.683	70	20	JJID	
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1	217608805	YAJVUTYXWKFEHP-UHFFFAOYSA-N	489.626	4.993	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2c(Cl)cccc2Cl)n1N	217160056	HWMNBWGWCZDCBQ-OAHLLOKOSA-N	498.461	4.567	70	20	JJID	
CCOc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)CC2)cc1	217486106	YLUOOELPCJIQNT-NHCUHLMSSA-N	460.496	4.629	70	20	JJID	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)c12	217950386	OIHZLJJSOCXFIF-UHFFFAOYSA-N	476.986	4.735	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(NCCc2cccs2)s1	217160557	POKVQWAXSZIJRA-HNNXBMFYSA-N	450.680	4.944	70	20	JJID	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)n2)n1	217582235	QFJLHHUDLYPZRL-UHFFFAOYSA-N	473.964	4.762	70	20	JJID	
Cc1ccc2nc(COc3cccc(C(=O)Nc4ccccc4C(=O)N4CCCC4)c3)cn2c1	218142760	FJOWPSFMRBZAGV-UHFFFAOYSA-N	454.530	4.710	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N	217137515	HAKWCEALPBHHRF-GOSISDBHSA-N	455.653	4.646	70	20	JJID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F	865204572	ZDMFOIZUVPQZBM-UHFFFAOYSA-N	481.349	4.820	70	20	JJID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	865207735	OUWAEPSCYRMYKV-QHCPKHFHSA-N	487.597	4.674	70	20	JJID	
O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC=C(c2ccc(O)cc2)CC1	216852136	SUZQMHXHCZNCPD-UHFFFAOYSA-N	465.903	4.992	70	20	JJID	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	218148185	KOPSBUXNSRWAPC-AWEZNQCLSA-N	456.942	4.626	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cc1)C(F)F	216872600	MZDTVQFZSNHLKT-UHFFFAOYSA-N	484.981	4.810	70	20	JJID	
Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1C	217710893	MOXZHAZZPZEVPF-UHFFFAOYSA-N	463.588	4.673	70	20	JJID	
CC(=O)N[C@@H](CC(=O)NCC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	216772869	ZOQBVOLYFNUBBW-DEOSSOPVSA-N	465.391	4.965	70	20	JJID	
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N1CCc2sccc2C1	218644013	BOJJGGQJGPGGIJ-HNNXBMFYSA-N	465.575	4.652	70	20	JJID	
C[C@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(F)c(Cl)cc1Cl	217449742	TWWWMQPZZOKUDU-LBPRGKRZSA-N	451.329	4.883	70	20	JJID	
Cc1noc(C)c1COc1ccc(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1	217409907	TUACVLSKHGGPKU-UHFFFAOYSA-N	462.546	4.770	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1	218074906	PPYGRJZHHQVRSO-IBGZPJMESA-N	470.323	4.500	70	20	JJID	
Cc1ccsc1CN(C(=O)CCn1nnc2ccccc2c1=O)c1ccc(F)c(Cl)c1	216791431	AAIFBYGCUCYTJC-UHFFFAOYSA-N	456.930	4.577	70	20	JJID	
O=C(CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	216707841	NMJYMLVUTXPHMH-NFBKMPQASA-N	477.388	4.502	70	20	JJID	
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1	216848265	NNMZWWPOKMBIAB-UHFFFAOYSA-N	482.989	4.800	70	20	JJID	
Cc1ccc(C2=NN(C(=O)CNc3ccccc3C(=O)N3CCCC3)[C@H](c3ccco3)C2)cc1	216633003	ZOVYYSFXUFORKW-DEOSSOPVSA-N	456.546	4.614	70	20	JJID	
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1	216689909	VPEXTMOOHBBOGW-UHFFFAOYSA-N	455.967	4.738	70	20	JJID	
Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)n(-c2ccc(F)cc2)n1	218444189	NJBPRQJFBRZNMO-UHFFFAOYSA-N	478.549	4.990	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)cc1	216766560	HNZOQAGJNORJTD-JOCHJYFZSA-N	452.352	4.641	70	20	JJID	
CCn1c(SCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)nnc1-c1cccs1	217608594	PNXWMDKVPLKZHF-UHFFFAOYSA-N	469.617	4.816	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1OC	217159745	LVJZXVSNRJVRMU-IBGZPJMESA-N	497.690	4.956	70	20	JJID	
CN1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1O2	217052983	CYCBBFORHKLHPW-JOCHJYFZSA-N	461.587	4.718	70	20	JJID	
CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nnc(-c2ccc(Br)o2)o1	216907320	CXQFZFNGICSWBI-UHFFFAOYSA-N	474.142	4.860	70	20	JJID	
O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCN(Cc2ccc(Br)s2)CC1	217163493	BFVHRZGTEMAAKC-UHFFFAOYSA-N	499.356	4.673	70	20	JJID	
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2)c1C	216853304	KRITYDKMPCDSBJ-UHFFFAOYSA-N	462.571	4.739	70	20	JJID	
O=C(c1cccc(S(=O)(=O)F)c1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	1516702001	RLOAPHFNABBUCQ-UHFFFAOYSA-N	452.429	4.601	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2cc(C)ccc2C(C)C)n1N	217159476	IMEWTFRJBBKFJN-IBGZPJMESA-N	485.679	4.692	70	20	JJID	
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)c1	216713341	LYYRWCPOQPAFFH-UHFFFAOYSA-N	466.588	4.641	70	20	JJID	
Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Sc2nncn2C)cc1	218146759	OHXGXQZDKJSMOK-UHFFFAOYSA-N	455.540	4.702	70	20	JJID	
Cc1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c3cnn(C(C)C)c3n2)c(C)o1	865204066	DGSQMQKRFSKEQZ-UHFFFAOYSA-N	456.499	4.800	70	20	JJID	
CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1	217749972	IPRYFXPQNSEYSK-ZIFCJYIRSA-N	481.622	4.724	70	20	JJID	
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CCCN(C(=O)CCCl)C1	116669454	VJQOEGZWPHTCTQ-SFHVURJKSA-N	476.968	4.660	70	20	JJID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F	865203818	AAISGKQNGAQMEG-UHFFFAOYSA-N	483.230	4.503	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc(Br)c(C)c1)c1ccc(Br)cc1	216760467	MXBXUFBLJGACBM-QGZVFWFLSA-N	454.162	4.726	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)cc1)C(F)F	216860342	QGJSRKASBBXRKL-UHFFFAOYSA-N	461.309	4.788	70	20	JJID	
C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N1CCc2sccc2C1	218643943	BOJJGGQJGPGGIJ-OAHLLOKOSA-N	465.575	4.652	70	20	JJID	
COc1ccc(OC)c2c1CN(C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H]2O	218405657	IHDVJTKAELQSJP-GIZXNFQBSA-N	475.385	4.830	70	20	JJID	
O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cccc(S(=O)(=O)F)c1	1336949342	NDYCDCCXAZAHSL-UHFFFAOYSA-N	458.364	4.942	70	20	JJID	
O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1cccc(S(=O)(=O)N2CCCCC2)c1	216713470	HCGPJDATDLUGTI-UHFFFAOYSA-N	478.599	4.785	70	20	JJID	
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1	217602612	NPISLIDTCCLBBL-UHFFFAOYSA-N	492.420	4.574	70	20	JJID	
Cc1ccc(-n2c(SCc3ccc(S(=O)(=O)C(F)F)cc3)nnc2-c2ccncc2)cc1	217069967	FXVGJZNXOBAODN-UHFFFAOYSA-N	472.542	4.926	70	20	JJID	
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1	217603305	ZVQRUEBCHPUWQR-UHFFFAOYSA-N	453.545	4.558	70	20	JJID	
O=C(c1csc2ccccc12)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1	217999127	OEIUYICROLWBMM-UHFFFAOYSA-N	472.492	4.928	70	20	JJID	
CCCCN1C(=O)CC[C@@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@H]1c1ccccc1OC	216888592	RGBBTOVMNUIQIN-SHQCIBLASA-N	462.590	4.797	70	20	JJID	
O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CC=C(c2ccc(O)cc2)CC1	216888377	KHIBOVRHYGJQOR-UHFFFAOYSA-N	481.643	4.508	70	20	JJID	
CCOc1ccc([C@@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)cc1OCC	216771099	RWOQKZTXGODYQA-QRWLVFNGSA-N	477.399	4.691	70	20	JJID	
Cc1cc(NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n(-c2ccc(F)cc2)n1	218441670	AYZXDNRWNKMCOY-UHFFFAOYSA-N	497.621	4.759	70	20	JJID	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)F)c2)c1	1336410466	IWFIRSPYYRRFLJ-QGZVFWFLSA-N	454.523	4.707	70	20	JJID	
CCOc1ccc(C(=O)N2CCC(NC(=O)CCc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1	218139220	CRYBEBUAXUGELC-UHFFFAOYSA-N	490.604	4.612	70	20	JJID	
CN1CCC2(CC1)C[C@H](NC(=O)c1cccc(OCc3cn4ccccc4n3)c1)c1ccccc1O2	217016043	SILFMAQRMFZPHB-VWLOTQADSA-N	482.584	4.631	70	20	JJID	
Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CC=C(c4ccc(O)cc4)CC3)nc2n1	217118216	HXYBTZUGUQTEOW-UHFFFAOYSA-N	471.586	4.669	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccn1	217157287	XHZKARQLXWCYGE-HXUWFJFHSA-N	476.627	4.779	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(Br)cc1	218026222	NRIMVHKLHCZQCT-MRXNPFEDSA-N	459.262	4.596	70	20	JJID	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)C2)s1	218556457	CWLYZCKNMODROA-KRWDZBQOSA-N	498.655	4.768	70	20	JJID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N1N=C(c2ccco2)C[C@@H]1c1cccs1	216788937	TVRJWZBONSJZJO-QGZVFWFLSA-N	478.599	4.759	70	20	JJID	
CC[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)NCc1ccccc1	217859465	CCCJPJGLEBENOU-KNKQGSTJSA-N	467.639	4.589	70	20	JJID	
Cc1cc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)n(-c2ccc(F)cc2)n1	217344783	DGCJLWAWEDLKAQ-KDURUIRLSA-N	464.541	4.740	70	20	JJID	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2Cc2ccccc2)c1	218249320	GOUWWRUETGXPIL-QFIPXVFZSA-N	478.614	4.676	70	20	JJID	
Cn1ccnc1Sc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1	217839849	OLDBDIAYAVARQQ-UHFFFAOYSA-N	450.951	4.687	70	20	JJID	
CC(=O)N[C@H](CC(=O)NCCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1	216761091	UZDQTHDOHAZZSC-GOSISDBHSA-N	458.183	4.682	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N	217155874	WBLPCWVLLRHXGF-IBGZPJMESA-N	485.679	4.558	70	20	JJID	
Cc1ccc(S(=O)(=O)Nc2ccc(N[C@@H](C)C(=O)N(C)Cc3ccccc3C)cc2)cc1	218727426	KVZCUMNMCHEMJO-FQEVSTJZSA-N	451.592	4.563	70	20	JJID	
CC(=O)N[C@H](CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	216773911	GQRGCGSFLMIABJ-KPZWWZAWSA-N	457.290	4.913	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(Br)cc1	218026134	NRIMVHKLHCZQCT-INIZCTEOSA-N	459.262	4.596	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2c(Cl)cccc2Cl)n1N	217160066	HWMNBWGWCZDCBQ-HNNXBMFYSA-N	498.461	4.567	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1	217159924	RMZQVFIZYAZEHW-FQEVSTJZSA-N	467.664	4.866	70	20	JJID	
Cc1cc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)n(-c2ccc(F)cc2)n1	217143218	LKMUAMXMHJYWAT-UHFFFAOYSA-N	488.342	4.863	70	20	JJID	
CC(=O)N[C@H](CC(=O)N[C@@H]1CCSc2c(F)cccc21)c1ccc(Br)cc1	216881652	ULMOHAGSRFQVFR-QZTJIDSGSA-N	451.361	4.509	70	20	JJID	
Cc1cc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)n(-c2ccc(F)cc2)n1	217349753	JRBXKJDLGDEJAG-QHCPKHFHSA-N	473.508	4.850	70	20	JJID	
CCOC(=O)c1sc2nc(CN(C)C)nc(N(Cc3ccco3)Cc3ccco3)c2c1C	218158765	SOPQEBLESHLFHW-UHFFFAOYSA-N	454.552	4.631	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1	216773861	GQRGCGSFLMIABJ-SGTLLEGYSA-N	457.290	4.913	70	20	JJID	
O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N1N=C(c2cccs2)C[C@@H]1c1ccco1	217755054	DBCXMLQUSOTTOB-QGZVFWFLSA-N	478.599	4.759	70	20	JJID	
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCOc2ccccc21	218646666	SOBNGCVFMPBPLP-AOMKIAJQSA-N	475.545	4.645	70	20	JJID	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1	218249228	GOUWWRUETGXPIL-JOCHJYFZSA-N	478.614	4.676	70	20	JJID	
CC(=O)N[C@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1ccc(Br)cc1	216774793	VEDVBLUCEADXKK-RTWAWAEBSA-N	492.483	4.667	70	20	JJID	
Cc1ccc(N(CCC(=O)N[C@H](C)c2cccnc2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	216694739	XLHHESYPIDGVJV-GOSISDBHSA-N	491.535	4.872	70	20	JJID	
O=C(c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CC=C(c2ccc(O)cc2)CC1	216885787	PDKMFMNHEGRPKH-UHFFFAOYSA-N	486.952	4.915	70	20	JJID	
CSCC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1)c1nnc2ccccn12	217065840	ARVIXPRWTVSDIC-LJQANCHMSA-N	476.631	4.721	70	20	JJID	
O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1	218295679	WNCPXQGIGXIZGW-UHFFFAOYSA-N	457.458	4.589	70	20	JJID	
Cc1ccc(-n2c(SCc3ccc(S(=O)(=O)C(F)F)cc3)nnc2N2CCCCC2)cc1	216872665	SGZYDFKTUBUGCG-UHFFFAOYSA-N	478.590	4.855	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(NCCc2cccs2)s1	217160547	POKVQWAXSZIJRA-OAHLLOKOSA-N	450.680	4.944	70	20	JJID	
CC(=O)N[C@@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1ccc(Br)cc1	216774841	VEDVBLUCEADXKK-LEWJYISDSA-N	492.483	4.667	70	20	JJID	
C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)n2Cc2ccco2)C1	218166291	FDPMKTWJBPBSJD-VAMGGRTRSA-N	467.639	4.541	70	20	JJID	
O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(=O)n(Cc2ccccc2Cl)c1	217608484	MZCKNWGYVIWXRV-UHFFFAOYSA-N	463.946	4.861	70	20	JJID	
O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1	217410557	QILIXFRIDNEORF-UHFFFAOYSA-N	464.949	4.521	70	20	JJID	
O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1	216690398	PLQNHSHJTMQTAE-VWLOTQADSA-N	477.992	4.672	70	20	JJID	
Cc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)c2cnn(C(C)C)c2n1	217796096	SUHOBQPWURAZGA-UHFFFAOYSA-N	455.562	4.656	70	20	JJID	
CC(C)Cn1nc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)c2ccccc2c1=O	216720856	MMMODZAKNVJDRK-UHFFFAOYSA-N	455.543	4.977	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)cc1)C(F)F	217509909	KHWSOYXJCAOPJQ-UHFFFAOYSA-N	478.590	4.542	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1	217159558	STBPIUKTDPGJPP-HXUWFJFHSA-N	467.664	4.947	70	20	JJID	
Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccnn3Cc3ccc(Br)cc3)c12	217973741	MSKXSXBRMOQWLE-UHFFFAOYSA-N	454.328	4.914	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1	217852647	HONMIPIQQREJTD-SFHVURJKSA-N	453.568	4.644	70	20	JJID	
Cc1ccc(-c2cc(C(=O)Nn3cnc4sc5c(c4c3=O)CCCC5)c3c(C)noc3n2)cc1	218313769	LBFSSBUNXICWHJ-UHFFFAOYSA-N	471.542	4.541	70	20	JJID	
Cc1cccn2cc(COc3ccccc3C(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)nc12	218073259	MFJSUOLGIDMQRZ-VWLOTQADSA-N	496.611	4.940	70	20	JJID	
CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(F)(F)F)c1	848946472	IUFXGUSZYBIARD-UHFFFAOYSA-N	498.476	4.511	70	20	JJID	
O=C(c1ccccc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)N1CCCC1	216638188	ZLSHUZBOMBWXKN-HXUWFJFHSA-N	464.616	4.835	70	20	JJID	
CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N[C@H]1CCSc2c(F)cccc21	216794118	AASXVXARHOUIBA-FQEVSTJZSA-N	456.564	4.618	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1	217160413	UCYGUHQGKLSBKC-FQEVSTJZSA-N	451.617	4.817	70	20	JJID	
CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)F)cc2)c1	865205713	JTKXQNGCSQKZFU-QGZVFWFLSA-N	454.523	4.707	70	20	JJID	
CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4sccc4[C@H]3CC)nnc12	217152797	TZWGMFGNHHQXAL-LJQANCHMSA-N	495.674	4.924	70	20	JJID	
CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)c1	1340630633	SCZXWDMENKIGMO-UHFFFAOYSA-N	462.543	4.712	70	20	JJID	
Cc1cc(-c2cc(C(=O)N3CCN(c4cccc(O)c4)CC3)c3cnn(C(C)C)c3n2)c(C)o1	217795911	YHDLUPJIZCBEKE-UHFFFAOYSA-N	459.550	4.557	70	20	JJID	
Cc1ccc([C@H](C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)s1	159626375	ROGXKJKHPHMTKQ-JTQLQIEISA-N	453.221	4.929	70	20	JJID	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(-c2nc3ccccc3s2)cn1	216829659	RDPYJZXGIMDQSK-UHFFFAOYSA-N	450.907	4.948	70	20	JJID	
C[C@@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)n2Cc2ccco2)C1	217749569	RJRVCWGVVZHHBS-BZUAXINKSA-N	475.018	4.569	70	20	JJID	
O=C(N[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1	216850791	ZXOVZMCWBHSEHG-RUZDIDTESA-N	460.961	4.703	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Br)cc1	216765616	LPMXCLGAOBBZGI-OAQYLSRUSA-N	496.409	4.640	70	20	JJID	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2Cc2ccco2)C1	218166143	DZFKWRYMXWKBFI-HCXYKTFWSA-N	485.629	4.899	70	20	JJID	
O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1C(=O)NCCc1ccccc1	217582137	RPJOUICCLWWJOM-UHFFFAOYSA-N	492.000	4.896	70	20	JJID	
O=C(c1ccc(S(=O)(=O)F)cc1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1	865206415	FDFVSPVCEOVHIP-UHFFFAOYSA-N	453.322	4.889	70	20	JJID	
COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)F)cc1)CCO2	865208062	BMXJDNSHMCXTTK-JOCHJYFZSA-N	455.507	4.520	70	20	JJID	
Cc1ccccc1-n1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nnc1-c1cccnc1	216865530	KAUJTFPATRLCTB-UHFFFAOYSA-N	472.542	4.926	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC	217152497	PIRSOLNYWQKUAF-IBGZPJMESA-N	492.066	4.776	70	20	JJID	
O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1cccc(S(=O)(=O)F)c1	1348708727	ZNEPSOMBDPNTJX-JOCHJYFZSA-N	452.507	4.574	70	20	JJID	
C[C@H]1C[C@@H](C)CN(c2nnc(SCc3ccc(S(=O)(=O)C(F)F)cc3)n2Cc2ccco2)C1	218166669	XXTFGUIQNTYTLY-IYBDPMFKSA-N	496.605	4.690	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1	217159839	OBFRXLAUJBSGSC-OAQYLSRUSA-N	476.627	4.529	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(COc2ccccc2Cl)n1C	217155492	CXQCABBLJPUJNT-INIZCTEOSA-N	463.028	4.737	70	20	JJID	
O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cccc(S(=O)(=O)F)c1	1337489500	BBRPDSAALRGIQI-UHFFFAOYSA-N	450.850	4.642	70	20	JJID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	1340088061	LKXSVSFXHOKEQJ-HSZRJFAPSA-N	487.597	4.674	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N[C@@H]1CCSc2c(F)cccc21)c1ccc(Br)cc1	216881608	ULMOHAGSRFQVFR-MSOLQXFVSA-N	451.361	4.509	70	20	JJID	
COc1ccc([C@H](C)NC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1Br	218115803	QSDVRSHIPMMJIG-LBPRGKRZSA-N	461.278	4.959	70	20	JJID	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CC=C(c5ccc(O)cc5)CC4)cc3C2=O)c1	216849811	FHPMPEJYBJIMNS-UHFFFAOYSA-N	452.510	4.739	70	20	JJID	
CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)F)cc2)c1	865205706	JTKXQNGCSQKZFU-KRWDZBQOSA-N	454.523	4.707	70	20	JJID	
COc1ccc(-c2nc(Cn3cnc4sc5c(c4c3=O)CCCCC5)cs2)cc1OC	217497338	MZAYXVUMLSUYRI-UHFFFAOYSA-N	453.589	4.916	70	20	JJID	
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc1	217028960	RGLLJNNHMWBCLK-OAHLLOKOSA-N	466.588	4.687	70	20	JJID	
CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1	216773375	PJWXIAOUILPXGI-KZULUSFZSA-N	468.189	4.656	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1	216773332	PJWXIAOUILPXGI-XIKOKIGWSA-N	468.189	4.656	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3	217137771	FGBAXGNDKAMXOA-OAHLLOKOSA-N	459.662	4.563	70	20	JJID	
CCOc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(OCC)cc1NC(=O)c1ccccc1	1347808835	CXXAQYAYVGKMNW-UHFFFAOYSA-N	486.521	4.647	70	20	JJID	
CCOc1cc2c(cc1OCC)CN(C(=O)c1cnn(-c3ccccc3)c1C(F)(F)F)CC2	218317368	CDOJGGIUBOMBOC-UHFFFAOYSA-N	459.468	4.887	70	20	JJID	
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	218614908	OCTAVGDGLFPXJB-VIFPVBQESA-N	485.482	4.771	70	20	JJID	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccc(S(=O)(=O)C(F)F)cc1)CC2	216899260	DEWDSJCTGZTUOU-XMMPIXPASA-N	473.541	4.848	70	20	JJID	
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(-c2nc3ccccc3s2)cn1	217028798	DONCQNOLDCJVIY-UHFFFAOYSA-N	455.543	4.714	70	20	JJID	
CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1	216830627	FCVKWULJAWIEGI-UHFFFAOYSA-N	460.559	4.906	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1	217159853	OBFRXLAUJBSGSC-NRFANRHFSA-N	476.627	4.529	70	20	JJID	
CCCCN1C(=O)CC[C@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@H]1c1ccccc1OC	216888634	RGBBTOVMNUIQIN-RPLLCQBOSA-N	462.590	4.797	70	20	JJID	
CSc1nnc(CCCNc2cc(C(=O)NC3CC3)c3ccccc3n2)n1C1CCCC1	216801936	BZDGZBLORQXRAB-UHFFFAOYSA-N	450.612	4.600	70	20	JJID	
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	218614829	OCTAVGDGLFPXJB-SECBINFHSA-N	485.482	4.771	70	20	JJID	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccc(S(=O)(=O)C(F)F)cc1)CC2	216899297	DEWDSJCTGZTUOU-DEOSSOPVSA-N	473.541	4.848	70	20	JJID	
Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3[nH]ncc3c2)n1-c1ccccc1	218636454	CIIRNQNXGONHRR-UHFFFAOYSA-N	470.558	4.762	70	20	JJID	
Cc1nc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cs1	218589997	LTPGECVYULUDLF-AWEZNQCLSA-N	456.365	4.873	70	20	JJID	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204402	RKWLKLRZVDKLHE-UHFFFAOYSA-N	452.916	4.873	70	20	JJID	
O=C(c1ccccc1NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)N1CCCC1	216661859	SVJJNGBLSSYFIC-QHCPKHFHSA-N	476.964	4.959	70	20	JJID	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1	217930783	JZTKOHFSJWWPAH-UHFFFAOYSA-N	464.975	4.591	70	20	JJID	
C[C@@H]1C[C@@H](C)CN(c2nnc(SCc3ccc(S(=O)(=O)C(F)F)cc3)n2Cc2ccco2)C1	218166627	XXTFGUIQNTYTLY-HZPDHXFCSA-N	496.605	4.690	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1	217155804	WKVJTDIOGRDOST-IBGZPJMESA-N	465.604	4.671	70	20	JJID	
Cc1sc2nc(CSc3ccc(Br)cc3)nc(N[C@@H](C)C(N)=O)c2c1C	217114560	ZLQOKRGGIRNHJC-JTQLQIEISA-N	451.415	4.649	70	20	JJID	
Cc1cccn2cc(COc3ccccc3C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)nc12	218073182	MFJSUOLGIDMQRZ-RUZDIDTESA-N	496.611	4.940	70	20	JJID	
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1cccc(S(=O)(=O)F)c1	1120866816	XPHTWZUMPBOPGZ-UHFFFAOYSA-N	455.536	4.531	70	20	JJID	
CC(C)CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c(Cl)cc1Cl	217154544	UDLBZCIIUFCAGW-UHFFFAOYSA-N	473.407	4.632	70	20	JJID	
O=C(c1ccccc1OCc1ccccc1Br)N1CCN(c2cccc(O)c2)CC1	218164210	WBWYSBJBMKHZMV-UHFFFAOYSA-N	467.363	4.696	70	20	JJID	
CCCCn1c(SCc2nc(N)c3c4c(sc3n2)CCCC4)nnc1[C@@H](CC)N(C)C	216861013	SMFZEYIMULMFTF-OAHLLOKOSA-N	459.689	4.849	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	216768802	ACWKVUTUQCGZSC-SFHVURJKSA-N	458.183	4.982	70	20	JJID	
COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)F)c1)CCO2	1336949015	GJCDIUMSDJNEMW-QFIPXVFZSA-N	455.507	4.520	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N[C@H]1CCSc2c(F)cccc21)c1ccc(Br)cc1	216881690	ULMOHAGSRFQVFR-ROUUACIJSA-N	451.361	4.509	70	20	JJID	
CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c1	216848780	OEBXJXUWNABBLQ-UHFFFAOYSA-N	482.989	4.800	70	20	JJID	
CCn1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nc2sc3c(c2c1=O)CCCC3	216868729	SFZDYRHITCBOGQ-UHFFFAOYSA-N	470.588	4.645	70	20	JJID	
Cc1cc(-c2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)c3cnn(C(C)C)c3n2)c(C)o1	217776474	SHZVLOBDJSGCSP-UHFFFAOYSA-N	459.550	4.557	70	20	JJID	
CCCCN1C(=O)CC[C@@H](C(=O)N2CC=C(c3ccc(O)cc3)CC2)[C@@H]1c1ccccc1OC	216888503	RGBBTOVMNUIQIN-SQHAQQRYSA-N	462.590	4.797	70	20	JJID	
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc1	217599828	FXJJZCZNVDGSPQ-UHFFFAOYSA-N	466.588	4.640	70	20	JJID	
CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)o1	218685998	NUBLHZQPQOIBQY-QMMMGPOBSA-N	459.396	4.950	70	20	JJID	
O=C(c1ccc(S(=O)(=O)F)cc1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	865209168	JUSYDDOLCAJJTN-UHFFFAOYSA-N	452.429	4.601	70	20	JJID	
Cc1cc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)n(-c2ccc(F)cc2)n1	217362498	XLBYQZZDQMYISA-UHFFFAOYSA-N	464.570	4.796	70	20	JJID	
O=C(Oc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccc(S(=O)(=O)F)cc1	865205622	HWPMLMGUCSDEJA-UHFFFAOYSA-N	478.295	4.579	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N	217139157	BYDILPFOAWMKJO-OAHLLOKOSA-N	468.435	4.655	70	20	JJID	
O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccc(S(=O)(=O)F)cc1	865207148	CAXKAJPZFHCROY-QFIPXVFZSA-N	452.507	4.574	70	20	JJID	
O=c1c2c3n(c(SCc4cnn(-c5ccccc5)c4)nc-2nn1-c1ccccc1)CCCCC3	217495538	VXBPKZOKQZHDJJ-UHFFFAOYSA-N	468.586	4.738	70	20	JJID	
COc1ccc([C@@H](C)NC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1Br	218115736	QSDVRSHIPMMJIG-GFCCVEGCSA-N	461.278	4.959	70	20	JJID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1	1340088063	LKXSVSFXHOKEQJ-QHCPKHFHSA-N	487.597	4.674	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1	217152266	QVWPZBWUGALGTE-NRFANRHFSA-N	481.691	4.612	70	20	JJID	
O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)c1cc(S(=O)(=O)F)c[nH]1	1337519647	DKMFMOLAMSRZCM-UHFFFAOYSA-N	450.357	4.598	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccc(Br)cc1	218539545	QIFOMDDLLQAIJZ-NRFANRHFSA-N	499.365	4.570	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1	217852571	HONMIPIQQREJTD-GOSISDBHSA-N	453.568	4.644	70	20	JJID	
CN(CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1)S(=O)(=O)c1ccc(F)cc1	216828374	UOHXGSKCTIOWTD-UHFFFAOYSA-N	484.578	4.537	70	20	JJID	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n2Cc2ccco2)C1	218166061	DZFKWRYMXWKBFI-ZSYWTGECSA-N	485.629	4.899	70	20	JJID	
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(S(=O)(=O)F)c3)s2)c(C(F)(F)F)c1	1354031568	FYHYOMBGZUVLTR-UHFFFAOYSA-N	469.441	4.535	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3	217137781	FGBAXGNDKAMXOA-HNNXBMFYSA-N	459.662	4.563	70	20	JJID	
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1ccc(S(=O)(=O)C(F)F)cc1)CC2	216899401	BVPJQSRUNVXZSD-QFIPXVFZSA-N	479.570	4.909	70	20	JJID	
CC(C)C[C@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	216717036	MDHQAWNEUUGNHJ-CMKODMSKSA-N	474.586	4.663	70	20	JJID	
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2)ccc1F	216882484	BIXAYMZOBQSBMV-UHFFFAOYSA-N	466.534	4.570	70	20	JJID	
CC(=O)N[C@H](CC(=O)N1CCC(CCc2ccccc2)CC1)c1ccc(Br)cc1	217585751	CBRZOBJQXSKHNZ-HSZRJFAPSA-N	457.412	4.888	70	20	JJID	
COc1cc(C)c(CN(C)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1OC	218139902	CWGUVQYKNBFVFP-UHFFFAOYSA-N	459.546	4.820	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC	217157187	ZMLSFWPWHFJWEZ-QGZVFWFLSA-N	492.464	4.869	70	20	JJID	
COc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1OCc1ccc2ccccc2n1	1336961284	IIARLGXDHITKMS-UHFFFAOYSA-N	466.490	4.733	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1OC	217159734	LVJZXVSNRJVRMU-LJQANCHMSA-N	497.690	4.956	70	20	JJID	
O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	217028576	PEAJTTDCTRHHSL-SFHVURJKSA-N	460.534	4.988	70	20	JJID	
O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2nc3ccccc3s2)cn1	217789309	SLLATXHVELVTAK-UHFFFAOYSA-N	452.486	4.785	70	20	JJID	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)n2Cc2ccco2)C1	218166220	FDPMKTWJBPBSJD-HSALFYBXSA-N	467.639	4.541	70	20	JJID	
CC(=O)N1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1	217424475	KBGAFBGTLKATRE-HXUWFJFHSA-N	473.404	4.870	70	20	JJID	
O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1nn(-c2ccccc2)c2c1CCC2	217621749	KLMWVSWKCCTNLO-UHFFFAOYSA-N	462.351	4.621	70	20	JJID	
COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)N2CCOCC2)cc1	216918929	GWXTUDOLDYZILD-QKKBWIMNSA-N	470.372	4.575	70	20	JJID	
C[C@H]1C[C@@H](C)CN(c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2Cc2ccco2)C1	218166009	DZFKWRYMXWKBFI-FCGDIQPGSA-N	485.629	4.899	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1	217152306	WOWSJESOOSUHPB-NRFANRHFSA-N	481.691	4.943	70	20	JJID	
CC[C@H]1c2ccsc2CCN1C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC	217157197	ZMLSFWPWHFJWEZ-KRWDZBQOSA-N	492.464	4.869	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1)C(F)F	216859663	CREJAVYJRRBLGW-UHFFFAOYSA-N	461.515	4.875	70	20	JJID	
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)cc1	217748469	KQPYQEQYGJNWGT-ZIFCJYIRSA-N	481.622	4.724	70	20	JJID	
CCCCn1c(SCc2nc(N)c3c4c(sc3n2)CCCC4)nnc1[C@H](CC)N(C)C	216861039	SMFZEYIMULMFTF-HNNXBMFYSA-N	459.689	4.849	70	20	JJID	
CC(C)(C)OC(=O)NCCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	217605083	GCZVMFJZZWFODB-UHFFFAOYSA-N	454.390	4.740	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)cc1	216766509	HNZOQAGJNORJTD-QFIPXVFZSA-N	452.352	4.641	70	20	JJID	
Cc1nc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)oc1-c1ccc(Br)cc1	865204071	DOLPSGOSNATGJO-UHFFFAOYSA-N	467.316	4.642	70	20	JJID	
COCc1nc(OC)c2c(C)c(C(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)sc2n1	216839116	AKYRFFNNEKGRCY-MRXNPFEDSA-N	453.568	4.548	70	20	JJID	
CCN(CC)c1ccc(-c2nnc(SCc3ccc(S(=O)(=O)C(F)F)cc3)n2C)cc1	216871824	QVVNZWNBSXJVNN-UHFFFAOYSA-N	466.579	4.617	70	20	JJID	
C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCOc2ccccc21	218646600	SOBNGCVFMPBPLP-ZHRRBRCNSA-N	475.545	4.645	70	20	JJID	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C	217809634	WQCNHHKSASNBCZ-RUZDIDTESA-N	468.557	4.728	70	20	JJID	
CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(-c4ccc(C)cc4)n[nH]3)n2)cc1	217812586	YTYWINFRGKPGSL-UHFFFAOYSA-N	459.575	4.830	70	20	JJID	
O=C(NC1CC1)c1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)nc2ccccc12	217016897	CUBINBQNAHGXLQ-OAHLLOKOSA-N	480.494	4.573	70	20	JJID	
CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)c1cnc2ccccn2c1=O	218242750	YKLMUKNPVODAAA-UHFFFAOYSA-N	453.907	4.505	70	20	JJID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)n(-c2ccc(F)cc2)n1	218443742	WYUVRICMZVISJJ-UHFFFAOYSA-N	468.485	4.512	70	20	JJID	
Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(Br)c(C)cc2Br)s1	159626243	ROGXKJKHPHMTKQ-SNVBAGLBSA-N	453.221	4.929	70	20	JJID	
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CC=C(c2ccc(O)cc2)CC1	216885084	UNAPUNFECZTYHP-UHFFFAOYSA-N	472.570	4.700	70	20	JJID	
Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H](C)c2cccs2)cc1Br	159565812	XKBQERRFCVOCDA-JTQLQIEISA-N	453.221	4.963	70	20	JJID	
Cc1nc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)sc1C	218645492	OWIILMMSOHOJPF-AWEZNQCLSA-N	454.552	4.717	70	20	JJID	
CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1	216771216	MUPOVIKYFRDRCQ-SFHVURJKSA-N	457.290	4.694	70	20	JJID	
Cn1c(=O)n(CCC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c2ccccc21	217766315	JFRMQLVTCCBPPV-UHFFFAOYSA-N	471.586	4.852	70	20	JJID	
Cc1nc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cs1	218589942	LTPGECVYULUDLF-CQSZACIVSA-N	456.365	4.873	70	20	JJID	
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc1	217028905	PLWSNLDZHBKYLB-UHFFFAOYSA-N	466.588	4.687	70	20	JJID	
O=c1c2ccccc2nc(SCc2ccc(S(=O)(=O)C(F)F)cc2)n1-c1ccc(F)cc1F	216865153	PRZNGSAIBZQQIT-UHFFFAOYSA-N	494.491	4.953	70	20	JJID	
COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)N2CCOCC2)cc1	216918903	GWXTUDOLDYZILD-LHSJRXKWSA-N	470.372	4.575	70	20	JJID	
COCc1nc(OC)c2c(C)c(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)sc2n1	216843558	WJDGNTJIIXYYBP-UHFFFAOYSA-N	492.388	4.959	70	20	JJID	
O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1cccc(S(=O)(=O)F)c1	1354031900	MPQVABFAZONTLD-UHFFFAOYSA-N	467.400	4.607	70	20	JJID	
Cc1cc(NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)n(-c2ccc(F)cc2)n1	217344696	DGCJLWAWEDLKAQ-OALUTQOASA-N	464.541	4.740	70	20	JJID	
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(S(=O)(=O)F)cc3)s2)c(C(F)(F)F)c1	865205412	KLVXZTUEXXAFHZ-UHFFFAOYSA-N	469.441	4.535	70	20	JJID	
O=S(=O)(c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1)C(F)F	216866284	SUKXWGJVWRPPHQ-UHFFFAOYSA-N	472.542	4.677	70	20	JJID	
O=C(NC1CC1)c1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)nc2ccccc12	217016943	CUBINBQNAHGXLQ-HNNXBMFYSA-N	480.494	4.573	70	20	JJID	
CC(=O)N1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)CC1	217424574	KBGAFBGTLKATRE-FQEVSTJZSA-N	473.404	4.870	70	20	JJID	
O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1SCc1nnnn1-c1ccccc1	217921094	XWEDWBFHDFYJJD-UHFFFAOYSA-N	462.604	4.932	70	20	JJID	
CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Br)cc1	216769993	ZOTLZDLBUBTQLK-SFHVURJKSA-N	459.340	4.697	70	20	JJID	
Cc1cc(Br)c(S(=O)(=O)N(C)[C@H](C)c2cccs2)cc1Br	159565961	XKBQERRFCVOCDA-SNVBAGLBSA-N	453.221	4.963	70	20	JJID	
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(S(=O)(=O)C(F)F)cc1	217090393	XQXICALUXMRTPP-UHFFFAOYSA-N	465.349	4.840	70	20	JJID	
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)ccc1Cl	217948596	IUJFXRJRKFBPAM-UHFFFAOYSA-N	464.975	4.591	70	20	JJID	
CC[C@@H]1c2ccsc2CCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1	217154386	PIQZUZLRXZSSPT-DOTOQJQBSA-N	474.677	4.875	70	20	JJID	
CC(=O)N[C@H](CC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccc(Br)cc1	218539615	QIFOMDDLLQAIJZ-OAQYLSRUSA-N	499.365	4.570	70	20	JJID	
Cc1ccc(-c2cc(C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)c3c(C)noc3n2)cc1	217979451	UROIYZOHTARREW-QHCPKHFHSA-N	455.493	4.899	70	20	JJID