smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	9490796	JUQJDWYGPXQSSV-UHFFFAOYSA-N	513.591	3.996	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=N)N21	20206923	VVFHUJIYDOQZCW-WUVMMTAUSA-N	506.009	3.768	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	100850970	ZKCIYIGXEWQRGA-AVRAWIIDSA-N	602.742	3.820	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C	101397113	MXMWTMDDCAZPIS-DSKFECOOSA-N	549.030	3.736	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	101745558	NPFUTLUNFHEZBO-DEDYPNTBSA-N	606.520	3.550	10	10	KHCE	
CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)/C=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12	207328444	WGYDTAQIOQULFD-CLFYSBASSA-N	564.653	3.686	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864013839	HEGWPGQSPPJTGB-XMMPIXPASA-N	536.629	3.931	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(O)c(OC)c3)CC2)cc1	1865473494	ARWLKBHTKAXUNR-AREMUKBSSA-N	547.656	3.614	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1C[C@H]1CCCO1	2296697903	YRWUVKDXYLFERL-HSZRJFAPSA-N	596.756	3.940	10	10	KHCE	
COc1ccccc1OCCCn1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	2297345352	PDHLZTMOAAGABW-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	1244751	PDTXLYOTDYQHRO-FCYPAOMHSA-N	557.628	3.677	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1	102702615	NOBTVCYPQNISCF-XSFVSMFZSA-N	538.651	3.777	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864011189	RKYKCLCEUVJQGI-VWLOTQADSA-N	513.598	3.508	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011778	YHCBIZHTLAMVEO-AVRDEDQJSA-N	525.005	3.879	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1864022673	PSIBGKKKDQPTID-RNODOKPDSA-N	540.498	3.647	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@H]2c1ccc(O)c(O)c1	1865035561	WVWHUQKFMVQCSO-QHCPKHFHSA-N	538.048	3.964	10	10	KHCE	
CC[C@@](C)(NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866802493	FJCBJSDTVGYNIR-SSEXGKCCSA-N	578.643	3.567	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867338788	PWJFSZKWEAVOJE-DNQXCXABSA-N	526.678	3.630	10	10	KHCE	
CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])[C@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21	2333127835	OITVYNLIELPNNX-JKYVINEHSA-N	556.539	3.752	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	2059853	NLCDXKIMSUKZBC-ZGOFBEGVSA-N	563.676	3.578	10	10	KHCE	
O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N2CCCC2)cc1	102480523	ZQFUYLSHGJWUIJ-YRIIQKNPSA-N	546.624	3.839	10	10	KHCE	
CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1	251992287	JJWSBXRUCDAVSX-IMBSWCNGSA-N	565.420	3.939	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864013801	GIJIBYUZNNGOBO-QRQCRPRQSA-N	532.984	3.796	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018776	CHESXYUMFXISIQ-RDPSFJRHSA-N	518.614	3.512	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864018995	UAGFGQIORAYAOO-JOCHJYFZSA-N	504.518	3.648	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865028991	CVWYCFMECNPDKN-QFIPXVFZSA-N	541.004	3.606	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865407496	HAOBVUQJDJXJSQ-DEOSSOPVSA-N	516.646	3.693	10	10	KHCE	
COc1ccc([C@H](C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1	1867012757	CSASJHSFXMURCA-CLJLJLNGSA-N	526.589	3.860	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc5c(c4)OCCO5)n(C(C)(C)C)n3)CC2)cc1	2331397226	XNHSJYQCUOMOIF-UHFFFAOYSA-N	518.618	3.791	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(I)c1O	59426706	IPJNPHQVIQVZPY-SDQBBNPISA-N	503.079	3.970	10	10	KHCE	
COc1ccc(OCCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1	104559108	MMIFZKHFHJYYAB-RDJYZGLESA-N	537.623	3.740	10	10	KHCE	
CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110529682	LHEPFTOVNUSVKZ-WBXJAQJHSA-N	625.842	3.539	10	10	KHCE	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC	1084233326	RXIOFGRVASUJAG-DHDCSXOGSA-N	520.323	3.982	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864016461	POLYUOUIVSCRHT-XMMPIXPASA-N	542.592	3.569	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCN(C)C)=C(N)O3)cc1	1864017363	KLXPHUBTMQELMY-XMMPIXPASA-N	549.672	3.779	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864021820	HANBMZFZCXCEEH-LJQANCHMSA-N	539.599	3.902	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1	1864022329	LVHBOXJICXGCGJ-INIZCTEOSA-N	508.884	3.997	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)CC1	1865029956	ZEIXWNNQSQHNPR-HHHXNRCGSA-N	539.636	3.994	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865031155	ZYYDJFJGKPVHBP-SRGWNRLKSA-N	536.604	3.765	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865032416	BZENLJLORSDMRU-DEOSSOPVSA-N	510.550	3.966	10	10	KHCE	
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866589530	WPAJAKHZSHHCID-NLFFAJNJSA-N	576.696	3.644	10	10	KHCE	
COCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870599133	LBNTZRLCPCVGCC-UHFFFAOYSA-N	507.631	3.673	10	10	KHCE	
O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOCCOC3)c([N+](=O)[O-])c1	2053536002	QWXPMOXJXQUNKI-UHFFFAOYSA-N	506.468	3.721	10	10	KHCE	
CCN1C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297508968	CZOKWUGWZGCLJY-UHFFFAOYSA-N	516.417	3.858	10	10	KHCE	
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	2297531942	NDWIWRSJBQJKHH-UHFFFAOYSA-N	500.898	3.715	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	150650654	UKOLQVJGMHCRQI-ZNQKWNQWSA-N	715.351	3.779	10	10	KHCE	
CCc1sc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1	1860763308	DNPIIJLBDXPUAF-CYBMUJFWSA-N	509.378	3.541	10	10	KHCE	
CCCOc1ccccc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862055101	DYBXMFLDVLBOIW-MHZLTWQESA-N	517.626	3.880	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@H]2c1ccc(O)c(O)c1	1864022069	KBRBEFBGEKZGAM-SFHVURJKSA-N	502.493	3.961	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031579	KEEYYJJNESLTLF-VWLOTQADSA-N	537.620	3.728	10	10	KHCE	
C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867779103	CGBWYBRDZNSGSA-KDYSTLNUSA-N	536.677	3.723	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868625662	YFWPZBOATCSXLY-AREMUKBSSA-N	577.147	3.916	10	10	KHCE	
O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	2285061288	BALUCMGONZRXJA-HSZRJFAPSA-N	504.539	3.529	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1cccc(C)c1	2297346133	GLNJVSPJJWEZSL-UHFFFAOYSA-N	512.613	3.984	10	10	KHCE	
COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O	33398642	YARLZODWHLBFGN-WMZJFQQLSA-N	505.095	3.774	10	10	KHCE	
CCCCN(C)c1c(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c(=O)n1C	33458880	BZMDJTKOVOWHPR-SRZZPIQSSA-N	510.641	3.932	10	10	KHCE	
COC(=O)C1=CN(c2ccc(I)cc2)c2cc(Br)ccc2S1(=O)=O	102694738	HBIOPEDIEZFTDE-UHFFFAOYSA-N	520.142	3.994	10	10	KHCE	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3/SC(=S)N(C(C)C)C3=O)CC2)cc1	102824560	VOHYNJHXHBWPDQ-CJLVFECKSA-N	535.695	3.948	10	10	KHCE	
CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531826	IXIFXWDWOXDTKL-MKYLKIGJSA-N	548.756	3.597	10	10	KHCE	
CCOc1cccc(N2C(=O)/C(=C/c3cc(I)cc(I)c3O)C(=O)NC2=S)c1	150580226	CNTMCESDMASYHY-VGOFMYFVSA-N	620.206	3.831	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)CC1	1865032642	HRJFSUUCNYGSNU-HSZRJFAPSA-N	538.048	3.748	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865033296	WKNMXVHANKZKRV-AREMUKBSSA-N	545.684	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCS(=O)(=O)c3cccc(Cl)c3)c3ccccc3)CC2)cc1	1868791594	OIVHQLOBFDTVEZ-HHHXNRCGSA-N	556.084	3.719	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=NCc4ccc(F)cc4)[nH]3)CC2)cc1	1871469701	OSVNZBWJMAIHAL-UHFFFAOYSA-N	517.584	3.553	10	10	KHCE	
Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	2297346233	OMLYTJJQYDVKMS-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1	2297348281	HUUVDEAQZKOVFC-UHFFFAOYSA-N	531.572	3.901	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)cc1	2313556040	KAMXQKFILHNKAX-UHFFFAOYSA-N	531.100	3.712	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)cc3)C(=N)N21	20206664	HQKSVCXNLCZWLU-VHARHKTESA-N	512.613	3.773	10	10	KHCE	
Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3\SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(=O)n2c1	105623014	VLOPEPNIVJCTSF-GFMRDNFCSA-N	615.822	3.914	10	10	KHCE	
CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	110523337	WLMGCXPGMACMCP-KQWNVCNZSA-N	555.701	3.752	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864009540	AIZFWBQHPLXFGV-AREMUKBSSA-N	536.592	3.843	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864014315	RTVZQCMTIGPLNK-XMMPIXPASA-N	534.661	3.564	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864018585	OKOPXNGEPXLSCI-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865030337	HZDGUEWLTXUWAK-QHCPKHFHSA-N	539.032	3.626	10	10	KHCE	
CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868887590	BYYVXUDBXOHYOA-JWQCQUIFSA-N	505.619	3.542	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N(C)Cc3ccccc3)nc12	2296707771	IGUNCZKJYARFDY-UHFFFAOYSA-N	508.625	3.705	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cccc(C)c1C	104559285	PKGLGVMNZMDGDV-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
C[C@H](CCc1ccccc1)N1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	229165610	FYZXSIGZVOXJIX-ZSAJQSLDSA-N	583.645	3.572	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864014318	RULPNKDTQCQJHT-HSZRJFAPSA-N	512.566	3.716	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865030060	BNGRIKKIYURKST-DEOSSOPVSA-N	520.630	3.619	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3Cl)CC1)=C(N)O2	1865034653	BFWDFWVWVVJCJN-QFIPXVFZSA-N	524.021	3.573	10	10	KHCE	
CCCC[C@@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867289495	BBFCZHNQPCKUME-OAQYLSRUSA-N	543.542	3.876	10	10	KHCE	
CCOC(=O)Oc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867292606	DXPNRCYRDYZNGK-CPJSRVTESA-N	510.635	3.750	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1	1867472448	GRSYLVVCUQENCA-GDLZYMKVSA-N	596.732	3.796	10	10	KHCE	
CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)n2)CC1	1868001293	UWHSBWLAPCMNSZ-UHFFFAOYSA-N	502.619	3.653	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCS(=O)(=O)c3cccc(Cl)c3)c3ccccc3)CC2)cc1	1868791595	OIVHQLOBFDTVEZ-MHZLTWQESA-N	556.084	3.719	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCNc3ccccc3OC)CC2)cc1	1868798121	OHLRROYCQCIPML-GDLZYMKVSA-N	574.678	3.507	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3CCCCCO)CC2)cc1	1870600886	KJXJJIQMPQNRSK-UHFFFAOYSA-N	521.658	3.800	10	10	KHCE	
COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1OC	1873168710	GWGCGOCGRDCYHM-UHFFFAOYSA-N	525.609	3.947	10	10	KHCE	
O=C(O)CCN1C(=O)C(=C[C@@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	2296728718	IYBLIKVKNQMLRQ-INIZCTEOSA-N	516.000	3.628	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1cccc(C)c1	2297345391	SBXRYBJYADGOHA-UHFFFAOYSA-N	547.014	3.888	10	10	KHCE	
O=C(O)CCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O	2314931873	IPFYQESUUIYFAY-UHFFFAOYSA-N	507.387	3.849	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc(OC)c1OC	33145646	YZVYBEHWLWWGGY-DHDCSXOGSA-N	508.647	3.602	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1	101398423	QGMVJICIUPTIRI-RQFVJUFOSA-N	537.623	3.740	10	10	KHCE	
COC(=O)c1ccc2c(=O)n(Cc3ccc(C(=O)NCCCN4CCN(c5ccc(OC)cc5)CC4)cc3)c(=S)[nH]c2c1	102744849	BYYCNMVNYRNUTD-UHFFFAOYSA-N	601.729	3.845	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=N)N21	104559897	VZHPGHLIOPDFHP-BQLOJNAPSA-N	519.402	3.649	10	10	KHCE	
Cc1cc(S(=O)(=O)O)ccc1N1N=C(C(=O)O)[C@H](N=Nc2cc(NC(=O)c3ccc4nc(Cl)c(Cl)nc4c3)ccc2S(=O)(=O)O)C1=O	256005942	VBKALLUZJMIMKJ-FQEVSTJZSA-N	722.501	3.930	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	1772719572	ZKCIYIGXEWQRGA-LAUXKIPWSA-N	602.742	3.820	10	10	KHCE	
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858990696	URTRWZNQMHKDHP-UHFFFAOYSA-N	533.606	3.677	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(OC)cc3OC)CC2)cc1	1861927031	HKKROAMICOTVPC-SANMLTNESA-N	521.589	3.541	10	10	KHCE	
COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864008745	RENLMUJMHJYBFW-SANMLTNESA-N	542.592	3.549	10	10	KHCE	
Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)c1	1864009830	LGPSKRQKNHDYNQ-DEOSSOPVSA-N	506.603	3.765	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864010056	OKVHXKZRFLSIPG-DEOSSOPVSA-N	534.613	3.837	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015268	NSRCDFAWZJMZJM-IBGZPJMESA-N	532.519	3.599	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1865027604	ZSGKAPJUAWLXAL-AREMUKBSSA-N	543.599	3.971	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865029663	SJKYEPRTYKLZBJ-SANMLTNESA-N	545.684	3.851	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@H]2c1ccc(O)c(O)c1	1865031796	OELLUJGKZWNTNB-MBSDFSHPSA-N	518.614	3.543	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccccn3)CC2)cc1	1865379025	AUNKSGYHTXSIQS-XMMPIXPASA-N	522.609	3.534	10	10	KHCE	
CSCC[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866905116	ABEJMKVIVDGSJW-AREMUKBSSA-N	557.672	3.718	10	10	KHCE	
CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867338787	PWJFSZKWEAVOJE-BJKOFHAPSA-N	526.678	3.630	10	10	KHCE	
CCCOc1ccc(Nc2nc(=NC[C@H]3CCCO3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871724835	IKHTYGUQZUFBIX-RUZDIDTESA-N	519.650	3.752	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	1873168609	BRXMRPMQNHCWFB-UHFFFAOYSA-N	519.609	3.848	10	10	KHCE	
Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	2313562059	BQNAWTVWQZHCJY-UHFFFAOYSA-N	503.536	3.630	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)CC1	2314475832	DBIPVRPUHOMPGY-UHFFFAOYSA-N	640.765	3.789	10	10	KHCE	
COc1c2c(c(O)c3c1[C@@H](OC(C)=O)Cc1cc4c(c(O)c1-3)C(=O)O[C@H](C)C4)C(=O)c1cccc(O)c1C2=O	14285491	KPZZVJIBEBNPBQ-HWPZZCPQSA-N	530.485	3.516	10	10	KHCE	biogenic
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(Cl)c3)C(=N)N21	104561730	GDYWFIPFPCCFLL-OLKKAHHKSA-N	533.975	3.839	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccs1	104562231	KNUAERLOZAMBFA-OLKKAHHKSA-N	532.625	3.623	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc(Cl)c1OC(=O)c1ccccc1	104563480	KCTYFHREESHGCA-BRKMNUETSA-N	547.014	3.968	10	10	KHCE	
CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O	110521051	ZAIKJGAFNKFKFU-JCMHNJIXSA-N	560.705	3.852	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864014278	RAWQHTNAKWRLJP-IVZQSRNASA-N	532.984	3.796	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@@H]2c1ccc(O)c(O)c1	1864020939	ISDHABQYOJGJMD-XMMPIXPASA-N	515.614	3.812	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1	1865033702	GUIIRQBXBXPLNT-DEOSSOPVSA-N	547.656	3.627	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865037252	MRTPDXOKJMDAMG-WXTAPIANSA-N	540.620	3.925	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865038650	WYQXKOICZOWTHA-CLOONOSVSA-N	526.593	3.677	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3cc(C)ccc3O)CC2)cc1	1865199088	JKRUBUAJZOEWJF-FQEVSTJZSA-N	543.546	3.505	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870754448	KCSAPPDTKVJRTK-UHFFFAOYSA-N	508.594	3.746	10	10	KHCE	
CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1	1873165841	WWUGJMPJZFCMCY-UHFFFAOYSA-N	542.636	3.667	10	10	KHCE	
COc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(Cc2ccc3c(c2)OCO3)CC1	2297632337	KYUHDDKVEQYGBM-UHFFFAOYSA-N	590.727	3.623	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1	2314842365	RZBFSFWQTNGZHN-KRWDZBQOSA-N	514.581	3.532	10	10	KHCE	
O=C(O)CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S	33696379	MWRPMLGZARQCLL-FMQUCBEESA-N	516.000	3.762	10	10	KHCE	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2	642880798	DHYLGBJCEGEBGQ-LMMWUUMLSA-N	746.674	3.511	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826143	AZKSYAOTNABJCV-OUIWWDRTSA-N	516.000	3.760	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029648	SANGUPZIZLQICN-RHGYRFJNSA-N	518.614	3.875	10	10	KHCE	
C[C@@H](O)Cn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870995140	VGZYPVNBKPFOPE-QFQXNSOFSA-N	520.630	3.601	10	10	KHCE	
C[C@@H](O)Cn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870995141	VGZYPVNBKPFOPE-RLWLMLJZSA-N	520.630	3.601	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1C	2297345529	FLMJWLYLVCKANN-UHFFFAOYSA-N	512.613	3.984	10	10	KHCE	
O=C1C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	2314399258	CWDITADPICJRCY-UHFFFAOYSA-N	575.716	3.889	10	10	KHCE	
Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)cc1	35960457	LXMYCJKUGNGIKB-NDEPHWFRSA-N	531.632	3.625	10	10	KHCE	
COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1	98015176	JPEVRWKPIOPBAP-QHCPKHFHSA-N	553.685	3.752	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100851062	FCWBGWLFEKRUFR-MTOUOXAKSA-N	550.662	3.747	10	10	KHCE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1	101679387	ARPAOZIXBFUZSM-WZUFQYTHSA-N	531.075	3.565	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	210655930	JTNRSYSPDHJULU-OEAKJJBVSA-N	563.705	3.665	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	252676068	VXGGCCBFYKUIBR-HHHXNRCGSA-N	571.655	3.913	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864008378	JGHCFRGXBVFKPF-JOCHJYFZSA-N	548.397	3.760	10	10	KHCE	
NC1=C(C(=O)NCCc2cccs2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022392	NAWSGFTUEHXXLP-GOSISDBHSA-N	543.527	3.812	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1O	1865534602	NZAPAOKDMGQAKZ-DEOSSOPVSA-N	517.630	3.613	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)N2CCCCC2)cc1	1867617585	NOLVQVFLAYJVSM-LJAQVGFWSA-N	567.690	3.622	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(C4CC4)on3)CC2)cc1	1868975260	XJIULBUSWNKKBC-VWLOTQADSA-N	520.655	3.941	10	10	KHCE	
COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O	1873426027	SBKORDSLVMIVND-UHFFFAOYSA-N	514.626	3.935	10	10	KHCE	
COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2OC)cc1	102678088	RWXYNSKDBYOZHV-QDEKLYODSA-N	545.660	3.711	10	10	KHCE	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=c1\s/c(=C2\Sc3ccccc3N2C)c(=O)n1-c1ccccc1	106963287	DBOFWPDEZCMWJE-VDUNRZOZSA-N	541.614	3.688	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(F)cc1	1865514439	NVLADBOXXAUXSG-XMMPIXPASA-N	505.594	3.793	10	10	KHCE	
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nn1	1867272374	HGNOQGFYILANMK-QFIPXVFZSA-N	510.937	3.885	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1	1871489065	DXJYVYNGFBUWKQ-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4OC)cc3)C(=N)N21	2297345730	WNXZVUWKRHWYCA-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314828892	POZIORVSEBDXTB-VKJFTORMSA-N	536.722	3.882	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)CCN3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1	110571729	DRQAGKYOXCFLRR-HAVVHWLPSA-N	554.694	3.821	10	10	KHCE	
Cc1cccc(C)c1O[P@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])[C@H](O)c1cccnc1	137787594	LRTYGGOWJQLVLF-PVYANHFPSA-N	542.489	3.803	10	10	KHCE	
O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)N1CCN(c2ccccc2F)CC1	643589160	OZCNTOAKBZYIDJ-UHFFFAOYSA-N	588.724	3.813	10	10	KHCE	
COc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O	1084458235	OXWRIRVLMDECSH-GDNBJRDFSA-N	602.166	3.609	10	10	KHCE	
CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862006771	VGJJOZMMICHLHO-ATIYNZHBSA-N	513.082	3.804	10	10	KHCE	
CCOc1cc(C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC	1862128267	UZHKPCDEKMGAKV-UHFFFAOYSA-N	513.635	3.749	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864007211	HUOVTONTQFEXNO-QFIPXVFZSA-N	512.994	3.871	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864013277	UWHRSYNSJPPQEQ-QHCPKHFHSA-N	524.593	3.670	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864013874	HWJHVXSMCMPHMU-DEOSSOPVSA-N	542.592	3.806	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865030086	BZMHBMBWURFUBJ-OJLQRUNKSA-N	536.604	3.765	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2)N2CCCCC2)cc1	1867603110	KGNBVFSXTZUOFG-FQLXRVMXSA-N	577.751	3.939	10	10	KHCE	
COc1cc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O	2297320957	YARLZODWHLBFGN-UHFFFAOYSA-N	505.095	3.774	10	10	KHCE	
O=C(CN1C(=O)C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O)Nc1ccc(Cl)cc1	2297464321	YCQWGITXBUWKTP-SFHVURJKSA-N	512.012	3.864	10	10	KHCE	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)C[C@@H](C)O1	2314399995	GZYFVDGIJBMYBV-HZPDHXFCSA-N	510.616	3.849	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2314414779	MAWMRFMJZRCWHO-UHFFFAOYSA-N	549.722	3.645	10	10	KHCE	
O=C1C(=Cc2ccccc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	2314829350	ZYYVWPBFSRWGBU-HXUWFJFHSA-N	559.735	3.687	10	10	KHCE	
Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	100850980	SSHTVJTZDFOKSW-ICXVXVOZSA-N	602.742	3.820	10	10	KHCE	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	1084117560	WMKPQBRTHNPBEZ-NVNXTCNLSA-N	629.201	3.671	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	1084603516	OEDQGMSKGZZHHC-LICLKQGHSA-N	510.850	3.625	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)CC1	1865027224	WJDVKNGOGCDVRW-AREMUKBSSA-N	531.657	3.517	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC(CO)CC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031756	NPHREAQMRGOSKB-FQEVSTJZSA-N	544.530	3.536	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3Cc3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)CC1	1865035028	JKVAFJYYOSLQSE-AREMUKBSSA-N	545.684	3.771	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866637649	BSYNCWDZXNVABE-QHCPKHFHSA-N	547.633	3.558	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867297924	NWNYUDKQVKZUIG-LITSAYRRSA-N	508.663	3.920	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1	2297346204	LZYHBGLSYGCFBT-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2cc(Br)ccc21	2314717373	JQYBTHZSGQNFLE-UHFFFAOYSA-N	508.806	3.995	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)CC2)cc1	8598860	RDRNWYPUWIVXQC-QHCPKHFHSA-N	516.689	3.655	10	10	KHCE	
CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	40066872	LBOXVAWIVJCWBE-ODLFYWEKSA-N	514.604	3.866	10	10	KHCE	
CCC[C@H](NC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC)C(=O)O	1860764018	WLAJWGNOAUFGEB-ZDUSSCGKSA-N	511.394	3.835	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccc4c(c3)OCCO4)c3ccccc3)CC2)cc1	1862153996	WOGIHJRKUBEFDF-YVVUMGOASA-N	513.594	3.686	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864012411	ZILAIWCHRUCNKR-XMMPIXPASA-N	518.520	3.940	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1865029124	GNPFSDMULNVJSI-AREMUKBSSA-N	542.592	3.851	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865036751	JIDHJMDOGHXZOP-VWLOTQADSA-N	526.593	3.677	10	10	KHCE	
CSCC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866709036	XLHDAHYVEKOXIC-NOZRDPDXSA-N	515.635	3.941	10	10	KHCE	
COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1S(C)(=O)=O	1866892745	VLRNHZGTXFXZSY-MHZLTWQESA-N	568.607	3.984	10	10	KHCE	
CC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867251815	SWNSWUOFDHDDHT-NHCUHLMSSA-N	587.434	3.793	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	2296697786	LMMJVNNLGPWRMJ-GOSISDBHSA-N	508.625	3.695	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12	2296707911	XTFMMFUVCGJQMZ-QGZVFWFLSA-N	536.635	3.724	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	2296928438	MVKDUEMPLDPMGF-LJQANCHMSA-N	565.696	3.849	10	10	KHCE	
CC[C@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1)C(=O)O	2314929166	IFZPKBLLKATUPB-INIZCTEOSA-N	513.018	3.677	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	33570358	ZXROVDVLIAQTNI-KGENOOAVSA-N	523.659	3.685	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(Cc5ccc6c(c5)OCO6)c(=S)[nH]c4c3)CC2)cc1	98049478	RJQAGZYSPHWNTG-UHFFFAOYSA-N	530.606	3.807	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	105603615	YELZPWLIJRHIKH-UHEMGROHSA-N	566.705	3.769	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1860710799	MCCMAFJKCDVJRT-UHFFFAOYSA-N	513.594	3.828	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1	1864012110	RGSGCTZVTPGEJV-AREMUKBSSA-N	544.583	3.852	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864018391	KGQMKRZIHQWOOX-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2	1864019451	ZAOHIVBSMFVRNG-XMMPIXPASA-N	511.582	3.869	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865029009	DARGWCQKWFECGW-XMSQKQJNSA-N	525.005	3.567	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1	1865031890	QROJNTFTYMQITH-KRWDZBQOSA-N	536.894	3.509	10	10	KHCE	
COc1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1	1867012759	CSASJHSFXMURCA-IZZNHLLZSA-N	526.589	3.860	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1	1868735665	UKFYTGNDVGLLGB-RUZDIDTESA-N	535.666	3.892	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1	1868931330	NUCFBCFLJCEBCR-RUZDIDTESA-N	511.688	3.862	10	10	KHCE	
COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873165199	IANGRKKNTHDBMN-UHFFFAOYSA-N	558.679	3.574	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(NCCCN4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	2296706747	NPWXSSDJNFZKDV-UHFFFAOYSA-N	579.748	3.590	10	10	KHCE	
C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)C[C@H](C)O1	2314399994	GZYFVDGIJBMYBV-HOTGVXAUSA-N	510.616	3.849	10	10	KHCE	
O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S	2314827624	JATPSIKEUITNRB-UHFFFAOYSA-N	501.424	3.507	10	10	KHCE	
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	100850893	QAHCQAKPJMIHFS-YDDPGSGASA-N	543.717	3.851	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCc4ccccc4C3)nc12	102621993	MNKGZVMURXKTHW-YRXLECQKSA-N	518.664	3.946	10	10	KHCE	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	102682778	XFUVDCNDHOQQBB-GVLJNOETSA-N	536.635	3.724	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864017606	PXDMVNVTNFLSEI-DEOSSOPVSA-N	522.565	3.733	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1	1864019020	UJUXLWUPFFWTCQ-HSZRJFAPSA-N	534.613	3.845	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@H]2c1ccc(O)c(O)c1	1864022709	QBDMGFJJAAVSJK-SFHVURJKSA-N	518.492	3.743	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865028962	CCIJISAUNLONCI-GYAHLDOBSA-N	529.641	3.565	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1	1868655395	QTKKRKHJTPWHFA-XMMPIXPASA-N	552.697	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1	1868688544	NJOMSCJQBXPYNL-CLJLJLNGSA-N	553.725	3.937	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21	1873551891	BVBZVVSAOSKMLT-SFTDATJTSA-N	506.651	3.816	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	2296544537	XCFCBDZKEXJONA-UHFFFAOYSA-N	608.742	3.935	10	10	KHCE	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2296790944	SCHCQYLRTORWTI-FQEVSTJZSA-N	573.743	3.721	10	10	KHCE	
COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641717	TUBBWXLSLPBXSN-YMGHSFPGSA-N	500.617	3.996	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526139001	IPTOFBFDXIIYCD-QFIPXVFZSA-N	514.943	3.633	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=S)NS(=O)(=O)c3ccc(Br)cc3)cccc21	1858606288	NWOVLLBKMRNEQL-UHFFFAOYSA-N	501.383	3.900	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864017352	KHDDHRGANQSDEW-NRFANRHFSA-N	512.994	3.737	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCOCC)[C@H]2c1ccc(O)c(O)c1	1864017379	KVYWGYFGFNJGMV-QFIPXVFZSA-N	522.602	3.617	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865028084	PCCPNGFSSWFUTJ-JOCHJYFZSA-N	545.423	3.824	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865030715	PHBBUVFDKRIZGG-VWLOTQADSA-N	548.640	3.628	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1865031439	GXVVNHABAOZRIX-XMMPIXPASA-N	544.583	3.684	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2)N2CCCCC2)cc1	1867603111	KGNBVFSXTZUOFG-URLMMPGGSA-N	577.751	3.939	10	10	KHCE	
O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874016578	GSCTWPBWPQBBBS-UHFFFAOYSA-N	503.561	3.901	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)c(OC)c1	2294265290	BCSJZFNDSFEOQR-UHFFFAOYSA-N	519.579	3.949	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1	2297345505	CRDPDSLISWKRCN-UHFFFAOYSA-N	526.596	3.562	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccc(OC)cc3OC)c3ccccc3)CC2)cc1	2330494722	FKEJAFHOAYIMFU-GDLZYMKVSA-N	515.610	3.932	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864008746	RENZXTUSOAFKOJ-AREMUKBSSA-N	542.592	3.679	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864010143	ILZQNTQZEVVZTI-SANMLTNESA-N	527.625	3.898	10	10	KHCE	
CCOc1c(OC)cccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2CC	1865257414	SPZHMVJELKBQHD-RUZDIDTESA-N	547.656	3.671	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1	1868980424	DOYASBLPQIKYBR-MUUNZHRXSA-N	556.692	3.861	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)CC1	2297459345	KLAQTESJMFEYSO-UHFFFAOYSA-N	521.668	3.639	10	10	KHCE	
COc1cc(C=C2SC(N3CCOCC3)=NC2=O)ccc1OC(=O)c1ccccc1Br	2297499074	GFKNZDXVRUBWLU-UHFFFAOYSA-N	503.374	3.979	10	10	KHCE	
Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)C2=O)cc1C	2297506071	PRBHGMVPJNPMBG-UHFFFAOYSA-N	559.376	3.585	10	10	KHCE	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccc(F)cc3)CC2)cc1	20289335	YZJGWDMQQBCBCE-UQBPGWFLSA-N	510.635	3.580	10	10	KHCE	
CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	110521612	OBYHQRVFPPUCRD-ULJHMMPZSA-N	551.738	3.608	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1	1862285723	RJBZYQCHOBAEBW-RUZDIDTESA-N	502.571	3.602	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864013687	FHQSCWNCAIIWAD-QHCPKHFHSA-N	520.586	3.643	10	10	KHCE	
CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864016135	IBZWQIOGMXIPFN-XMMPIXPASA-N	541.608	3.971	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1	1865031777	NYYZACZNEOVWJA-QFIPXVFZSA-N	506.603	3.687	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865032090	VKFUYUJADGGRDD-DEOSSOPVSA-N	541.583	3.681	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865033476	ANPIXZUCLBDTCH-GOSISDBHSA-N	549.937	3.547	10	10	KHCE	
CCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)cc1	1865282358	DJAHWMGRTYOPDH-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c2nccn2C)cc1	1865877416	FUYIZFIOCHHASS-SANMLTNESA-N	507.594	3.844	10	10	KHCE	
CC[C@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868893236	CKHBCAOEWLPEFG-UKILVPOCSA-N	563.724	3.992	10	10	KHCE	
CCOc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1	1869970523	MWTMHBOMIJUMBF-UHFFFAOYSA-N	508.623	3.785	10	10	KHCE	
CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3C[C@@H](C)C[C@@H](C)C3)[nH]c(N3C[C@@H](C)C[C@@H](C)C3)n2)c1	1871737193	WNEPZXFNPBNXMR-QGFMHUBQSA-N	502.685	3.501	10	10	KHCE	
CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O	1873169139	BAHKJHJLZUDHGS-UHFFFAOYSA-N	505.707	3.981	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S	110521682	ODXACPCLDYHYLN-BWAHOGKJSA-N	565.765	3.998	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	254820899	JKFZZNOEXFQAJO-SANMLTNESA-N	535.666	3.662	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H](C)O1	1848439328	RDYXRPGVNWOQLW-FBOZMLQKSA-N	765.768	3.581	10	10	KHCE	
CCCC[C@H](NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862165116	QPJGKMMXQKTVQC-SHQBLQIYSA-N	520.674	3.629	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2	1864009790	DSFVZFONHLIIBC-FQEVSTJZSA-N	533.412	3.736	10	10	KHCE	
NC1=C(C(=O)NC[C@@H]2CCCO2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864015502	AOIRKPDUMKYYDV-DHLKQENFSA-N	538.604	3.999	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@@H]2c1ccc(O)c(O)c1	1864022068	KBRBEFBGEKZGAM-GOSISDBHSA-N	502.493	3.961	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865027159	VFZIFCOFSPDRBZ-HUYGQZFBSA-N	525.005	3.635	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)=C(N)O2	1865030465	KHVWRWSPEBDCNM-ZDADTQBUSA-N	543.668	3.819	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)[C@H]2c1ccc(O)c(O)c1	1865034805	FEBNESGKAPNONS-VWLOTQADSA-N	531.657	3.614	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1865035040	JWMVMVWCPOBJDR-RUZDIDTESA-N	534.657	3.837	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866893178	ZZNFXRQQAFQQAU-QFIPXVFZSA-N	548.617	3.801	10	10	KHCE	
CCC[C@@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866925013	SRDGADVBXOWTFJ-HSZRJFAPSA-N	523.549	3.589	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867432087	HLNDDJGTDONTAM-WUFINQPMSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1	1871495674	NCAIDUFMUPMJIN-UHFFFAOYSA-N	510.646	3.925	10	10	KHCE	
CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1	1871627289	FLZHGLVWPIIOJE-UHFFFAOYSA-N	501.639	3.663	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(CCc3ccccc3)C2=O)cc1	1873164542	GYBNAWNXSGUHFW-UHFFFAOYSA-N	554.672	3.854	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1	2296539250	JKAUXSGRLYMIDY-SFHVURJKSA-N	551.646	3.599	10	10	KHCE	
CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(I)c1OCC(=O)O	2296908793	KCEGZVQTKYJNBO-UHFFFAOYSA-N	550.305	3.658	10	10	KHCE	
O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1	8234331	LQQNPVZIFKLQPE-RGOYVLDUSA-N	746.630	3.682	10	10	KHCE	endogenous,in-man
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	20208200	CEQDVAIXUVTJQS-JNCKMBBWSA-N	507.597	3.732	10	10	KHCE	
CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O	33894181	ZVDCQPUCZBRNCX-RONKMWSCSA-N	510.641	3.596	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1	101397954	NCDDJBOQYLBFHJ-AKYRRJNDSA-N	523.379	3.834	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864011425	HMQXXCPDBBOQCY-NRFANRHFSA-N	533.412	3.805	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2	1864014420	UWYGGKFGQTZDAA-RUZDIDTESA-N	525.609	3.993	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864021645	DSUKJWANPZLSCZ-GOSISDBHSA-N	502.493	3.980	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2	1865037776	RARANZZSZBDTGS-RUZDIDTESA-N	531.657	3.865	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc[nH]1	1865608802	HBKWTGWGGLYGHH-IBGZPJMESA-N	530.551	3.692	10	10	KHCE	
C[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867286047	LOAKZFXCIZITPZ-CYBMUJFWSA-N	506.440	3.886	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867522374	XVQULSBEJKYJSM-QPQHGXMVSA-N	591.753	3.627	10	10	KHCE	
CC[C@](C)(NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644357	DWESJSAZSVRJAM-UHSQPCAPSA-N	507.679	3.953	10	10	KHCE	
CCC[C@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868997739	KBPQBJPDXFDYIN-QHCPKHFHSA-N	534.613	3.564	10	10	KHCE	
CCN(CC)CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC	1875220652	JWHVKOMVXAIOFM-UHFFFAOYSA-N	537.709	3.583	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c([N+](=O)[O-])cc1OC	2294229285	GDXLRKUWQDZVPB-UHFFFAOYSA-N	506.334	3.514	10	10	KHCE	
COc1ccc(OC)c(C=C2SC(N3CCN(C4=NC(=O)C(=Cc5cc(OC)ccc5OC)S4)CC3)=NC2=O)c1	2313503062	IXGQHFFBLUZTDE-UHFFFAOYSA-N	580.688	3.979	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1	2314831987	XDDVLGRTBKBWQY-UHFFFAOYSA-N	534.641	3.643	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1	2314837561	UJGXSDHUWXDXJO-CYBMUJFWSA-N	516.597	3.815	10	10	KHCE	
O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1	16908208	AFXLSZIZDOZDQL-LFIBNONCSA-N	507.387	3.849	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1	20208611	PSPNERMIVMZJLO-BJRGRWSZSA-N	512.613	3.792	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3OC)c3ccco3)CC2)cc1	38619862	TYMMRJMFYLXIIE-QFIPXVFZSA-N	512.994	3.568	10	10	KHCE	
COc1ccc(N2CCN(CCCn3c(SCC(=O)Nc4cc(C)on4)nc4ccsc4c3=O)CC2)cc1	102739961	YTKZDKDZJGVSAX-UHFFFAOYSA-N	554.698	3.706	10	10	KHCE	
O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O	105263923	QQOAACZTJDTNIK-UHFFFAOYSA-N	523.295	3.925	10	10	KHCE	
CCC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861976770	OKDOMFPYZNTYQQ-HHHXNRCGSA-N	510.654	3.680	10	10	KHCE	
CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990959	IOEIAMKNPOIGJJ-BKMJKUGQSA-N	513.082	3.804	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864011696	KBQYAUZVUDZYOI-RUZDIDTESA-N	537.636	3.723	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2	1865030819	RQDFHVICFRDVLE-QFIPXVFZSA-N	514.623	3.543	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3cc(C)ccc3O)CC2)cc1	1865199089	JKRUBUAJZOEWJF-HXUWFJFHSA-N	543.546	3.505	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)C(C)C)CC2)cc1	1868987261	MBBPGDSYPBRELS-HHHXNRCGSA-N	516.646	3.596	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)n(C(C)(C)C)n3)CC2)cc1	1869971137	YWWCGDMXUSMYAC-MDWZMJQESA-N	505.579	3.928	10	10	KHCE	
CCCCNC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870954757	FGTJXDALOVUYBR-UHFFFAOYSA-N	505.619	3.635	10	10	KHCE	
COCCNC(=O)COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870968878	FUQCUOIIFZKSFQ-UHFFFAOYSA-N	522.646	3.898	10	10	KHCE	
[N-]=[N+]=NCCCCCCNC(=O)COc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43	2081012231	JRYXVEFCZOWGSJ-UHFFFAOYSA-N	640.674	3.690	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4)c(OC)c3)C(=N)N21	2297345627	NJMJEQXUUHIXLX-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	103567600	ASHDGVUXENGYKZ-VTGHKQSHSA-N	517.567	3.546	10	10	KHCE	
CCC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990693	VKQPQTNWBPHHEV-HOFKKMOUSA-N	510.654	3.680	10	10	KHCE	
COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864010992	XVODMCWJCSIUIQ-OYLFLEFRSA-N	522.602	3.848	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015783	VCMVSLCWNGTQBU-HXUWFJFHSA-N	545.562	3.514	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864021772	GKBWQTCAJRKGAW-SFHVURJKSA-N	528.491	3.610	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@H]2c1ccc(O)c(O)c1	1864023300	XSSGYAPMTKJKMI-IBGZPJMESA-N	527.503	3.868	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029734	UIBSAVCSEOQVPN-RHGYRFJNSA-N	518.614	3.626	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865031580	KFLVMBNIAQBRKS-DEOSSOPVSA-N	526.593	3.545	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865033933	KUBRDHMHVIJYLU-KSFYIVLOSA-N	504.587	3.943	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C(N)O2	1865034982	IOFFZYARFHXESC-JOCHJYFZSA-N	524.021	3.573	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866637815	HJYCZTJJJNJHME-XMMPIXPASA-N	561.660	3.948	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870735018	UJEGCWWXABTARI-UHFFFAOYSA-N	508.594	3.746	10	10	KHCE	
COc1ccc(CN=c2nc(Nc3ccc(O)cc3)[nH]c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1871718912	PCAVDDCSTKFDNM-UHFFFAOYSA-N	513.602	3.699	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)CC2)cc1	1872718432	JJDICYJHXXXOHY-UHFFFAOYSA-N	516.019	3.877	10	10	KHCE	
Cc1ccc(C)c(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1	2296260114	KMDOHDNBRCFCGG-UHFFFAOYSA-N	504.616	3.579	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1cccc(C)c1	2297346124	FRPYMIIVZHBAJI-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	33451696	ALKDRLRORYUXSQ-NNVWJYBBSA-N	500.646	3.551	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N21	96460080	PCKYFZQEIVALHG-FAXLCBLLSA-N	519.004	3.809	10	10	KHCE	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1	606671895	BVKLREPTKLZSJP-BYYARECASA-N	553.706	3.539	10	10	KHCE	
CC(C)CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858663807	ZRPCGIPEGRWIIP-UHFFFAOYSA-N	519.579	3.635	10	10	KHCE	
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858992040	QDKYVTQZUXLILV-UHFFFAOYSA-N	533.606	3.677	10	10	KHCE	
NC1=C(C(=O)NC2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022526	NWELCCZWKOINKF-GOSISDBHSA-N	515.492	3.841	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865029286	JVGRIFQUUUTBKA-RUZDIDTESA-N	531.657	3.792	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCCOc4cccc(C)c4)cn3CCO)CC2)cc1	1870316163	IYWGAELDBXSDTA-UHFFFAOYSA-N	521.658	3.718	10	10	KHCE	
Cc1nnc(NC(=O)COc2cn(CCCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1	1871021374	CYYKVSPXLYVRBF-UHFFFAOYSA-N	520.615	3.764	10	10	KHCE	
Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	2314413633	CTBRXKHPAWJWOC-FQEVSTJZSA-N	588.715	3.797	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c(C(=O)O)c1OC	59815002	MNGPMYGZMLKLKF-NTEUORMPSA-N	523.386	3.711	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	100851047	REICCAGLMQGCLD-NJHOJWAESA-N	550.662	3.747	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCCCO)[C@H]3c2ccc(O)c(O)c2)cc1	1864015092	JLBJWLQSJDEYIH-FQEVSTJZSA-N	546.546	3.643	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(CCO)Cc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865026801	ALKOAMVBYYCFKG-AREMUKBSSA-N	526.593	3.616	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865026910	SUMZMMMCFJAXQT-UDFDBXRZSA-N	542.995	3.774	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3cccc(O)c3)CC2)cc1	1865042389	VQGIXAJPXJEEOM-MHZLTWQESA-N	537.620	3.938	10	10	KHCE	
CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1868019181	NHOXOCBCKQTQPC-CLJLJLNGSA-N	534.657	3.805	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1	1868905605	FFZRAMVTSIXGSM-DEOSSOPVSA-N	539.727	3.733	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(F)cc3)CC2)cc1	1874642617	JMODGBINLHHBTM-NDEPHWFRSA-N	514.601	3.934	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C(=N)N21	2297345301	KHLHFYKNPVUDDV-UHFFFAOYSA-N	507.597	3.732	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1	2297345820	GECMUVMUOHFUCT-UHFFFAOYSA-N	530.653	3.796	10	10	KHCE	
CC[C@@H](C(=O)OC1CCCCC1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326944820	INKHUVDJLHCTDR-INIZCTEOSA-N	502.614	3.734	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1	1864010370	LQFMJTYHLWHGCB-HSZRJFAPSA-N	534.613	3.752	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864012944	MQYLMOVZNWAIGC-RDPSFJRHSA-N	518.614	3.593	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1	1865031899	QVGCEFHALSDIRS-QHCPKHFHSA-N	517.630	3.619	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865032128	WERKFUDXXXBDKK-HOIFWPIMSA-N	504.587	3.702	10	10	KHCE	
CSCC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866607790	DNBZYRKGFLLQNQ-QFIPXVFZSA-N	530.602	3.652	10	10	KHCE	
C[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867075326	OLBVNDYQZZNUPG-KRWDZBQOSA-N	539.617	3.883	10	10	KHCE	
Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1	1867547417	QTCHZCAWSQGNNJ-IGYGKHONSA-N	611.743	3.604	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1	1868688546	NJOMSCJQBXPYNL-IZZNHLLZSA-N	553.725	3.937	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H](C)C3CCCC3)CC2)cc1	1868874127	ATMCEGBJSNSYSB-PIKZIKFNSA-N	521.658	3.823	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCCCN3CCCC3)C2=O)cc1	1873169108	ZNGBFUQGIDKDJA-UHFFFAOYSA-N	500.647	3.605	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4C)cc3)C(=N)N21	20206784	DJWPKWDOVQUPOJ-NEVNILGMSA-N	512.613	3.854	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	20609294	GMVPAJRBBCNYPI-OBUQMBPKSA-N	503.624	3.538	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C[C@@H](C)O1	150448892	KZXUMNHZRDCHPZ-RBWPNYOTSA-N	634.784	3.505	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	1083934630	HASCOZIKELQXLC-MHZLTWQESA-N	586.626	3.843	10	10	KHCE	
CCOc1cc(C(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC	1862127615	CFDILAPTPLEBBA-HSZRJFAPSA-N	513.635	3.749	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864009515	ITSVKDRPVPLMPR-VWLOTQADSA-N	537.636	3.723	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012128	RUCJSQVALZXJTA-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864017639	QSCUJKUXPTXHAT-QFIPXVFZSA-N	502.596	3.961	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864017947	YZRJYEVIBQHBIB-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(OC)c3)CC1)=C(N)O2	1865030534	LTBBOIUZCMXCFS-RUZDIDTESA-N	547.656	3.709	10	10	KHCE	
COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C[C@H]1C	1869070515	CWJJBBDMVUCRIV-PLQXJYEYSA-N	530.717	3.948	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2296545458	RXQIUDLJDRSYBA-LJQANCHMSA-N	526.621	3.836	10	10	KHCE	
CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	2296845202	FPLYBPIMJVNJKK-UHFFFAOYSA-N	510.641	3.978	10	10	KHCE	
Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1	2297461475	CNLSEFZMEVNPFR-UHFFFAOYSA-N	506.653	3.674	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1OC	2297468102	ABDHKSYGTIJELY-UHFFFAOYSA-N	543.561	3.994	10	10	KHCE	
CC[C@H](C(=O)OC1CCCCC1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326944821	INKHUVDJLHCTDR-MRXNPFEDSA-N	502.614	3.734	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@]3(OC(=O)c4c(C(=O)NCCCN=[N+]=[N-])cccc43)[C@@H]2C=C1	2333074729	UJIRBDGHKAQZRJ-FPUALCIBSA-N	514.586	3.989	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864011720	KJFQCVWQUNVOTJ-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1	1864017588	PJDCKZQMHIRFNT-HSZRJFAPSA-N	527.581	3.786	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc([N+](=O)[O-])c1	1865467320	JDCQSTZDNAVRSD-DEOSSOPVSA-N	532.601	3.562	10	10	KHCE	
COc1cc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC	1867337319	QVSZPEFYNBTUET-QHCPKHFHSA-N	526.678	3.630	10	10	KHCE	
COc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(C)cc2)cc1	1869969626	GWBXDPLAXUQBDP-UHFFFAOYSA-N	528.613	3.937	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)C[C@@H](C)O1	2314476720	UJRJQHPJFGECKN-OYRHEFFESA-N	593.731	3.640	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864007982	YXAKCYSKAJKLOT-RUZDIDTESA-N	528.565	3.620	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864015801	VUAZQDGGCGWQBY-LJQANCHMSA-N	548.518	3.548	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865030810	RPAPWUNZXIBQRS-RUZDIDTESA-N	534.657	3.919	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4cccc(F)c4)[C@@H]3c3ccc[nH]3)CC2)cc1	1865598939	ZIAFOYFEHPSBGG-SANMLTNESA-N	542.615	3.759	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3Cc3ccccn3)CC2)cc1	1870566730	BNKVQFKOWPCGIR-UHFFFAOYSA-N	515.614	3.806	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(C=C3SC(=S)N(C)C3=O)c(=O)n2c1	2296703398	DPMZFHMIJWSKBW-UHFFFAOYSA-N	512.060	3.814	10	10	KHCE	
Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	2314400973	SSHTVJTZDFOKSW-RTBURBONSA-N	602.742	3.820	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	20207521	GIVGANKUGDMDLD-BJRGRWSZSA-N	512.613	3.636	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	102994700	RVOVFVNHDQGRQF-XNWDXEOPSA-N	522.652	3.529	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@H]3c2ccc(O)c(O)c2)cc1	1864006983	CAHRXQJDWZIWGS-QFIPXVFZSA-N	504.568	3.673	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864013869	HUMJBOQCRJIDBK-QHCPKHFHSA-N	506.603	3.793	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865028422	UPBQJFWMUJSBRF-VFNWGFHPSA-N	531.396	3.577	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865029825	WASFBBNXPZPGFB-ZHRRBRCNSA-N	525.005	3.567	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865030932	VLYFTSCUASBEST-WMZHIEFXSA-N	539.032	3.626	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C(=O)OCC)C1)[C@H]2c1ccc(O)c(O)c1	1865031327	DXCDMBOHCKMHBZ-REWPJTCUSA-N	546.624	3.868	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1	1865031959	SCXYCXQBNYVABB-HXUWFJFHSA-N	543.546	3.551	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(OC)c(O)c1	1865144238	WYOUWXIJMYMZAU-RUZDIDTESA-N	547.656	3.622	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4ccc(C)cc4)cn3C[C@@H](C)O)CC2)cc1	1870777675	SSBUUYNXVILETH-XMMPIXPASA-N	521.658	3.716	10	10	KHCE	
Cc1sc2nc1CC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)cc1)CC(=O)N1C[C@@H](NCc3ccccc3O)C[C@H]1C(=O)N1CCC2CC1	2080397110	DXWZJWDCONCYFP-QMOZSOIISA-N	704.869	3.793	10	10	KHCE	
O=C1NCC[C@H]2CN(Cc3ccccc3O)CC[C@H]2CC(=O)N2CC[C@@H](CC(=O)N3CCCC3)[C@@H](CCOc3cccc1n3)C2	2080464683	CXKLKUSJGGBMME-LJWNLINESA-N	617.791	3.695	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1	101399344	JOXWOLZCMZHWOL-HMRXBZFQSA-N	536.035	3.776	10	10	KHCE	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)O	101688166	LGUDEPYKYUMWAK-MKMNVTDBSA-N	584.750	3.782	10	10	KHCE	
CN(C)S(=O)(=O)n1cc(/C=C(/NC(=O)c2ccccc2F)C(=O)N2CCc3ccccc32)c2ccccc21	104810240	RTKHPUBHRNQSRU-JJIBRWJFSA-N	532.597	3.795	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252668909	FXKWVJKZOFVETQ-MHZLTWQESA-N	541.677	3.667	10	10	KHCE	
COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864014158	OJXTYZFKTKMSTC-HSZRJFAPSA-N	510.550	3.932	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864014257	QNXINSXJXAHYGZ-QHCPKHFHSA-N	546.027	3.976	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(CCO)Cc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1	1865026803	ALKOAMVBYYCFKG-SANMLTNESA-N	526.593	3.616	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)C(C)C)CC2)cc1	1868862954	BTDTXWKWFNHBFU-RRPNLBNLSA-N	511.663	3.942	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(C4CC4)on3)CC2)cc1	1868975259	XJIULBUSWNKKBC-RUZDIDTESA-N	520.655	3.941	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1	2296557862	NOBTVCYPQNISCF-UHFFFAOYSA-N	538.651	3.777	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=N)N21	2297345260	GPMFGPSHUZEUEJ-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(OC)cc4)cc3)C(=N)N21	2297345713	UXKUWLCKGXPUKM-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)N=C2S1	2297346205	MAZIZPLXKPGURY-UHFFFAOYSA-N	502.961	3.571	10	10	KHCE	
O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	34257734	NSENLBKHVGWLHW-XAJRUKRBSA-N	504.593	3.834	10	10	KHCE	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1C	101747036	RJZSVVUGFQKIMB-LFIBNONCSA-N	576.454	3.902	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCCOc1ccccc1	104561931	DEAMJADLBLZORG-ADKREUBMSA-N	542.639	3.800	10	10	KHCE	
CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O	137707437	MQXPAAQOMWTESJ-FYHPJVROSA-N	604.758	3.866	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865032029	UDYCECNYTDDMIX-IEGUWTFLSA-N	518.614	3.948	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865032748	JWGPPDYKWAJNLI-DFFLPILJSA-N	525.005	3.830	10	10	KHCE	
C=Cc1ccccc1OCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869047119	ORLQAZXBKZGIBF-HHHXNRCGSA-N	517.601	3.932	10	10	KHCE	
CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425502	BKTDOJVVJWFFSG-UHFFFAOYSA-N	527.625	3.577	10	10	KHCE	
Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1	2297508911	XYDLXGRTMCDNPI-UHFFFAOYSA-N	522.583	3.540	10	10	KHCE	
CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S	2314767088	DNBJFOKRWJFJFG-XMMPIXPASA-N	540.663	3.820	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1	100345272	LWTBGNBGWMRJGE-WQRHYEAKSA-N	534.437	3.979	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccco3)CC2)cc1	106209960	ALHDQTSQIOFKTQ-QFIPXVFZSA-N	532.519	3.805	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252677537	ZAULZFKXBQTSRP-SANMLTNESA-N	518.683	3.711	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3Br)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	725440396	VIYAWHWQLMZJCH-HSZRJFAPSA-N	556.482	3.635	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864009575	BFRFCJXHQZMRHS-XMMPIXPASA-N	528.613	3.642	10	10	KHCE	
NC1=C(C(=O)NC[C@H]2CCCO2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864015504	AOIRKPDUMKYYDV-RDGATRHJSA-N	538.604	3.999	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865029492	ORHVVIJGTXMOLJ-JOCHJYFZSA-N	525.005	3.567	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865530375	MDZOFAFGEFSYJU-XMMPIXPASA-N	517.630	3.613	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514687	BVRQGYZMMGRMOB-VSJLXWSYSA-N	697.833	3.995	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867689481	FCDSEKKLOULYMH-FQLXRVMXSA-N	634.243	3.669	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1	1871729203	SCBFNYCBLCNITR-XMMPIXPASA-N	511.630	3.538	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)c(Br)c3)C(=O)N=C2S1	2297346343	XNNIBSFVWJAOPQ-UHFFFAOYSA-N	549.428	3.528	10	10	KHCE	
CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O	33812687	JCAUVCMERVDEOA-SZHLLGMXSA-N	501.722	3.970	10	10	KHCE	
CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(O)c1C3=O)[C@H](OC(=O)OCC)C[C@@](O)(C(C)=O)C2	256351246	CJCLTLJGYVYVPZ-CQGGRAHPSA-N	600.529	3.719	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864008977	WELWCUAGVFOXQH-SANMLTNESA-N	542.592	3.929	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865034835	FXZSEUJWVWJYQV-QHCPKHFHSA-N	541.048	3.874	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cccc(OC)c3)CC2)cc1	1865577405	YTEBSSBYWCXZEO-SANMLTNESA-N	531.657	3.908	10	10	KHCE	
CC(C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867231289	VMSUJULZIYREMT-FQEVSTJZSA-N	587.434	3.793	10	10	KHCE	
COc1c(Br)c(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC	1867444236	LBTUXIIIBDJPAV-UXHICEINSA-N	686.442	3.738	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(NC(C)=O)cc4)[nH]3)CC2)cc1	1871481425	LDEFJEJIVSXABK-UHFFFAOYSA-N	514.590	3.536	10	10	KHCE	
COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1	2313544016	YXFNLQYXADALEU-UHFFFAOYSA-N	519.579	3.729	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1	2314600191	PUKIXHKQUGMJQJ-SFHVURJKSA-N	520.723	3.864	10	10	KHCE	
O=C(COc1ccccc1/C=C1\SC(=S)N(NC(=O)CCN2CCCCC2)C1=O)Nc1ccccc1	35519865	GUEFENLCZCBMRK-XLNRJJMWSA-N	524.668	3.813	10	10	KHCE	
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	100885700	LYLXKLNEGIQVNB-OLCUMFGGSA-N	594.784	3.850	10	10	KHCE	
CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S	206873896	OIIBPUVWZIUDHC-HKWRFOASSA-N	508.662	3.877	10	10	KHCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	207308414	WQRKKORVFUHUQN-YRXLECQKSA-N	577.725	3.826	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	207312699	POZIORVSEBDXTB-YKRPSZFLSA-N	536.722	3.882	10	10	KHCE	
COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1	1864009388	GLVVLESCPVCFFZ-IZHWHUGBSA-N	513.554	3.568	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864010191	JQHNHYHVHHKLSU-XMMPIXPASA-N	511.582	3.950	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864020484	ZUNYDVFSTNFNEA-NRFANRHFSA-N	512.994	3.735	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2	1864020977	JULQQUXJAYIIPG-SANMLTNESA-N	545.684	3.988	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1	1865034384	VQDPYJKNDBGEKE-GOSISDBHSA-N	500.477	3.613	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccc(F)cc3)CC2)cc1	1865518815	HZCVAJBBBGBIRA-LJQANCHMSA-N	531.510	3.630	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(-c4ccc(F)cc4)n3)CC2)cc1	1869274981	LQFNHMXRWNXWBG-UHFFFAOYSA-N	574.682	3.828	10	10	KHCE	
CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCN(c4nnc(C)n4C)CC3)n2)cc1	1869326198	BRJIPWFZTHEBFS-UHFFFAOYSA-N	569.714	3.641	10	10	KHCE	
COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)CC1	1873170966	YPSLBGVTZGWZQW-GCKKQHTFSA-N	519.642	3.922	10	10	KHCE	
COCCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873420819	WSPMGSUEIIXAMC-UHFFFAOYSA-N	507.612	3.726	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c([N+](=O)[O-])c1	1873421218	MEMPGDWKWYVFEO-UHFFFAOYSA-N	503.559	3.765	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC	2297306913	BSRDOFBBGZECRV-UHFFFAOYSA-N	502.570	3.671	10	10	KHCE	
Cc1cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl	2314506484	DLUILGZWSQUGIR-AWEZNQCLSA-N	548.067	3.837	10	10	KHCE	
CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S	2314761049	OIIBPUVWZIUDHC-UHFFFAOYSA-N	508.662	3.877	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O[C@H](C)C(=O)O	2314932681	OGZRUIUCJVOBLY-LLVKDONJSA-N	537.413	3.856	10	10	KHCE	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)ccc1Cl	34931852	ROQVDAACRHUCBF-NDENLUEZSA-N	515.975	3.638	10	10	KHCE	
Cc1cccc(C)c1OCCn1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	96459716	ZMHUBKYUYVNJFS-ADKREUBMSA-N	521.624	3.958	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	101266760	CKRJZQJVRWQVFT-RMFUMNGISA-N	524.686	3.613	10	10	KHCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	210722608	ZOZUCRRXLMLAQV-NVVUQHMZSA-N	501.655	3.900	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864008594	NNFZPZXUDOXFCX-DEOSSOPVSA-N	506.603	3.585	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864014259	QPTAXUZIQRNPBR-XMMPIXPASA-N	514.582	3.846	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864021562	PUSJASBDMNCVCH-QHCPKHFHSA-N	516.602	3.587	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(OC)c1	1865576193	QFVWLQBWPKRVQB-VWLOTQADSA-N	517.630	3.662	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)c3ccccc3)CC2)cc1	1869009956	OTVVXHWIPUIVDM-HHHXNRCGSA-N	526.637	3.769	10	10	KHCE	
CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1	2313574239	LTVOGYVGWGEXCI-UHFFFAOYSA-N	510.138	3.555	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1	256038832	SPPPRXRMJPYRMV-XZOQPEGZSA-N	525.509	3.724	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1	526566820	TWZADHAHUOBRRH-RUZDIDTESA-N	521.522	3.975	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864020170	WRBYZCMQQLBPJS-DEOSSOPVSA-N	511.582	3.619	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865031323	DXBAKNNXPYNRKB-QFIPXVFZSA-N	532.984	3.749	10	10	KHCE	
CCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1OCC	1865201966	JRTBGZPRPWSVJB-AREMUKBSSA-N	547.656	3.578	10	10	KHCE	
CCCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1	1865237730	GTMYXLVFFFBZFI-AREMUKBSSA-N	531.657	3.959	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)CC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867585239	QLGMKXOLRMICCL-AOLGGSBGSA-N	561.727	3.999	10	10	KHCE	
COc1ccc([C@@H](C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC	1868151571	UTUSYWFRDDBBAR-VWLOTQADSA-N	500.551	3.974	10	10	KHCE	
CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCCOC(C)C)[nH]1	1871559017	XIWAMGOJCXSJRO-UHFFFAOYSA-N	505.667	3.584	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=O)N=C2S1	2297346163	ILRPRKLDUVQRIW-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COc1ccc(N2N=C(C)C(=Cc3c(O)nc(O)n(-c4ccc(Br)cc4C)c3=O)C2=O)cc1	2297533537	MBZHZGMTDWIINQ-UHFFFAOYSA-N	511.332	3.529	10	10	KHCE	
COCCN1C(=O)/C(=C\c2c(NC3CC(C)(C)NC(C)(C)C3)nc3ccc(C)cn3c2=O)SC1=S	2672078	KZSVXGLEAIGCAF-WOJGMQOQSA-N	515.705	3.572	10	10	KHCE	
CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cc(Br)ccc2O)N3)CC1	14460965	DSLODMQPFMEHQP-IUKKYPGJSA-N	504.450	3.917	10	10	KHCE	
Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	100885808	CTBRXKHPAWJWOC-ISXGRJCASA-N	588.715	3.797	10	10	KHCE	
COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)N1CCc2ccccc21	101443600	HZUHGGCSGCWQHR-MOHJPFBDSA-N	544.633	3.665	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O	210752861	WMNYZPPSOXSOFN-XDJHFCHBSA-N	524.661	3.932	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864013699	ZBABJZCLKPAKJD-QHCPKHFHSA-N	541.048	3.922	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865028852	ZTQYUMLGNDXXDI-RUZDIDTESA-N	511.582	3.773	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)cc(I)c1O	2313558511	CLHLOJJNWSWQLT-UHFFFAOYSA-N	502.692	3.621	10	10	KHCE	
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	2314413943	LYLXKLNEGIQVNB-QFIPXVFZSA-N	594.784	3.850	10	10	KHCE	
CC(=O)c1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	17413945	ZPBZGZKHVGORRL-DICHSLLOSA-N	596.688	3.540	10	10	KHCE	
CC(=O)OCCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(Cl)c1	100096246	ZWZLLAMBXRZLQM-WCWDXBQESA-N	526.955	4.000	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084355564	QJYAFDJVDGAHHZ-XMMPIXPASA-N	584.492	3.552	10	10	KHCE	
CC[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861974916	OBQDXBNKZOFPRS-SANMLTNESA-N	513.082	3.804	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864013417	BCKIGPUHVFHXKB-UGBNAGHDSA-N	522.646	3.551	10	10	KHCE	
NC1=C(C(=O)NC[C@@H]2CCCO2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014018	LMXGGTQWKZKLRM-XUZZJYLKSA-N	524.577	3.940	10	10	KHCE	
C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865034106	PIHUUYLCNUQTKR-MDOVXXIYSA-N	544.530	3.692	10	10	KHCE	
CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)cc1	1865502092	OYRPEQYIWVHFLZ-XMMPIXPASA-N	501.631	3.597	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865561319	CGSICJCVEULPOI-XMMPIXPASA-N	501.631	3.733	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1	1869009493	CGXXFIIYKSPUOY-MHZLTWQESA-N	540.664	3.639	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCCCC3)ncnc21	1873558960	LXPJVIFNMIEKRA-UHFFFAOYSA-N	506.651	3.819	10	10	KHCE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCCNC(=O)OCc1ccccc1	2200961215	IUXBEUUNTRGDBA-NRFANRHFSA-N	515.607	3.747	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccccc1C	2297345014	HITFKEOMOVJKRB-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccc(OC)c4)c(Cl)c3)C(=O)N=C2S1	2297346278	RNUUZKBYKBCHCB-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	2314769532	RQWBSWNAJOXARE-RUZDIDTESA-N	570.689	3.829	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O	47152241	AIBCVKHWQURLQB-PDGQHHTCSA-N	503.558	3.938	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	101398827	MZRZEZOZMHNDHU-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O	110524564	NBOJVNNAZFGZID-JLPGSUDCSA-N	551.738	3.990	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864014711	ASUAKVDDPINXJU-HXUWFJFHSA-N	545.562	3.845	10	10	KHCE	
CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015417	QROMANQASBSPAY-HXUWFJFHSA-N	545.562	3.514	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865030935	VNPPQZCWNSKFID-OFVILXPXSA-N	532.641	3.590	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865032598	GTFJPLHWXITIFJ-RUZDIDTESA-N	540.576	3.975	10	10	KHCE	
CCCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868990046	YRYYYCIIEHYCPE-DEOSSOPVSA-N	507.610	3.966	10	10	KHCE	
CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3C[C@@H](C)C[C@@H](C)C3)[nH]c(N3C[C@H](C)C[C@@H](C)C3)n2)c1	1871737191	WNEPZXFNPBNXMR-MKXGPGLRSA-N	502.685	3.501	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873422229	MGHRXAOJCACUOX-UHFFFAOYSA-N	528.609	3.987	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl	2297346323	VTTPLNFEEDVMKP-UHFFFAOYSA-N	547.014	3.969	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1OCC(=O)O	59815847	OXEDTTQWOLBAQP-LICLKQGHSA-N	537.413	3.857	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc(Br)c1OCC(N)=O	96577450	GNMDSCYDLWWXRM-OVCLIPMQSA-N	502.321	3.527	10	10	KHCE	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1O	102594005	DAXVLOBHOJHTNO-GDNBJRDFSA-N	526.377	3.942	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(Cl)cc1	104559598	SXDKPLIVZIMSJN-MGGLCJOQSA-N	532.987	3.579	10	10	KHCE	
C/C(NCCc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	205952015	FWUVFMDWYTVZAK-HAVVHWLPSA-N	517.636	3.801	10	10	KHCE	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c2c1[C@@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2	642880797	DHYLGBJCEGEBGQ-AHYUOUDJSA-N	746.674	3.511	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1	1864007052	FBZYRUFUHQDMPP-VEQVNTQVSA-N	504.587	3.990	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864010903	BRURFXALHXKOKZ-JOCHJYFZSA-N	506.559	3.863	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864012593	DQSAFFHQXWIJQT-CVDCTZTESA-N	539.032	3.938	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2	1864013316	VTQDNGHINQFZPS-NRFANRHFSA-N	547.439	3.795	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864017196	HVLXAGFSJZCNGP-DEOSSOPVSA-N	542.592	3.880	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864021766	GIHAFONXNODGSM-LJQANCHMSA-N	532.519	3.989	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865026971	UYBPYOZWVZEWEI-QHCPKHFHSA-N	527.021	3.620	10	10	KHCE	
CCC[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868926602	UXYUTPBAYRSPBC-SANMLTNESA-N	553.704	3.851	10	10	KHCE	
CC1(C)C=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O	2297632333	HGKQCMQWMRXLOP-UHFFFAOYSA-N	578.691	3.753	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1	101397589	HGTJZGWDUKNXJC-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	104557403	PSKAYONYVKJPJZ-KVFPKZPRSA-N	547.596	3.701	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(OC)c3)CC1)=C(N)O2	1865036797	JQZDNJUEMKSUON-VWLOTQADSA-N	547.656	3.565	10	10	KHCE	
CC[C@@](C)(NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866810326	ZNSJFLKWDQEDOY-SSEXGKCCSA-N	575.643	3.508	10	10	KHCE	
CC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890098	SKKNSCZEQJQDGK-RPWUZVMVSA-N	570.488	3.915	10	10	KHCE	
C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869051718	FGFJWLRJARHTFO-LJAQVGFWSA-N	557.647	3.719	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1	2293202054	XYECHHHBJPLCGI-UHFFFAOYSA-N	518.522	3.837	10	10	KHCE	
C[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1)C(=O)O	2314928786	BJZCMBJPCOLKPM-NSHDSACASA-N	507.387	3.847	10	10	KHCE	
Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100886053	YYRUTJDPAXHYML-LYUVJKPTSA-N	536.635	3.724	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	101743636	MUNQTSFBFDCPJF-XSFVSMFZSA-N	606.520	3.632	10	10	KHCE	
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1860744775	GUDKGLUGFLZBQK-UHFFFAOYSA-N	511.515	3.934	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865032636	HMIXJTRYTOYJQH-SBUREZEXSA-N	539.032	3.957	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865119667	VVHACGPHCDRSJB-XMMPIXPASA-N	517.630	3.613	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccco3)CC2)cc1	1865303098	YXYNFHGMEWNXIL-RUZDIDTESA-N	511.582	3.826	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccccn3)CC2)cc1	1865372701	ZSKPXGYLTGWTGG-SANMLTNESA-N	522.609	3.628	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867435476	JJWWUOZJRVVYNP-RRPNLBNLSA-N	547.700	3.609	10	10	KHCE	
Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C	1867575449	FDBWHBFYDYAVTE-VEEOACQBSA-N	611.743	3.604	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)n(C)n3)CC2)cc1	1869969056	BVDFKBFNAKLMQG-OAHLLOKOSA-N	505.406	3.863	10	10	KHCE	
O=C(O)CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S	2296712198	JLNRNDPZNJUALJ-UHFFFAOYSA-N	516.000	3.762	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)C[C@@H](C)O1	2314476719	UJRJQHPJFGECKN-NHCUHLMSSA-N	593.731	3.640	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	100885692	QNANMFQYGUKSKK-PCCDRTMGSA-N	594.784	3.850	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C	101397413	HFCVLOQOFHTRJY-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1Cl	104559276	FFVOCGDELJTUMA-WPQBYJDRSA-N	549.030	3.818	10	10	KHCE	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	110557150	PUYBDDMTROTDPF-ZHNJOBQTSA-N	614.796	3.712	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)COc3cccc(C)c3C)CC2)cc1	1862192934	NQUNMFLXFRSSDU-HHHXNRCGSA-N	501.627	3.767	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864016600	TZVXCYHYYUAMHZ-HJPURHCSSA-N	547.011	3.855	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864017592	POIFEMHUVSODMA-RUZDIDTESA-N	547.656	3.541	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865033291	WHPDILLNWZPNIN-HHJKRLRDSA-N	532.641	3.852	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867298508	UFHNSIIAUNROME-SXOMAYOGSA-N	540.730	3.873	10	10	KHCE	
CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1	1871510848	AZRVREDFDUGVBU-UHFFFAOYSA-N	512.058	3.595	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)O)cc1	2313556007	IPRLQNGTCDVQGL-UHFFFAOYSA-N	530.489	3.758	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)O)c(I)c3)C2=O)c1	2313557259	YJFPAZHLAPTCMZ-UHFFFAOYSA-N	706.227	3.823	10	10	KHCE	
CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O	33812683	TYGIOPQRBQVNBV-XLNRJJMWSA-N	531.748	3.598	10	10	KHCE	
COc1cc([N+](=O)[O-])ccc1N=Nc1ccc(N(CCOC(C)=O)CCOC(C)=O)cc1NC(C)=O	606508465	ZQZWTTNVCIXDOF-UHFFFAOYSA-N	501.496	3.910	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2F)=C(N)O3)cc1	1864022001	IFHFBAHQZXPJAW-QFIPXVFZSA-N	516.529	3.657	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1	1865033657	FRLWYHWWGDYJLE-HYBUGGRVSA-N	548.640	3.838	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865034807	FFJUYMFUXLQEKN-SANMLTNESA-N	545.684	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccccc3F)CC2)cc1	1865069603	XVLUZGDZISXREL-LJQANCHMSA-N	531.510	3.630	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867440714	NEJDPGWSLNWZNF-PZGXJGMVSA-N	625.726	3.739	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793445	RPARBACXLLSHQP-LITSAYRRSA-N	612.797	3.692	10	10	KHCE	
CCCCOc1ccc(Nc2nc(=NCCOC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871613848	YXYRDFHKHPTSRS-UHFFFAOYSA-N	507.639	3.610	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252670539	KYDRIHZQXYQUSP-RUZDIDTESA-N	500.624	3.654	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012386	YZISFYLSRPQBMG-JOCHJYFZSA-N	547.439	3.931	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864019196	HQZNURHOUIPZBH-VWLOTQADSA-N	526.593	3.795	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(O)c(O)c3)CC2)c1C	1865029744	ULOWUAHZQOMFBS-AREMUKBSSA-N	531.657	3.919	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865646242	ZULYLWLYRDZSKO-DEOSSOPVSA-N	546.628	3.816	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3OCC(=O)N(C4CCCCC4)[C@@H]3c3ccccc3OC)CC2)cc1	1891876746	YPEYUNRBLOGPLU-IZLXSDGUSA-N	507.631	3.654	10	10	KHCE	
O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1	2314930824	JTLIOYJEOCWKFI-UHFFFAOYSA-N	507.387	3.849	10	10	KHCE	
Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1	20208003	VEJLYDFVGRLDSN-YMINWEEVSA-N	519.004	3.727	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	100115137	SQNBRUYTYSMBFZ-BKUYFWCQSA-N	553.413	3.948	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)OC	1084562703	YZKPLSZLZAZCGZ-NVNXTCNLSA-N	582.201	3.829	10	10	KHCE	
COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)n1	1868254592	VGIWQFCYQZJKFM-QFIPXVFZSA-N	552.591	3.510	10	10	KHCE	
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O	33692617	AFPITTKUJVDZFQ-OBGWFSINSA-N	518.661	3.768	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864011713	KHGFWERDWDXQKJ-QFIPXVFZSA-N	512.994	3.542	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccccc2)=C(N)O3)cc1	1864022573	OXCIIZLCQFEGFN-QHCPKHFHSA-N	512.566	3.560	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)=C(N)O2	1865028968	CHZNJHTYBYTDMZ-ACMAXOTASA-N	543.668	3.811	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865029440	NDWLHPKBMKTGDU-HSZRJFAPSA-N	506.603	3.552	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1	1865033776	HXWKVXWKNGZCOR-GOSISDBHSA-N	518.467	3.818	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccccc3O)CC2)cc1	1865525282	UPUTXXYLOFVFIW-HHHXNRCGSA-N	537.620	3.938	10	10	KHCE	
CSCC[C@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867158171	AIXPVDDWFKXWOQ-NRFANRHFSA-N	525.590	3.737	10	10	KHCE	
CCN(CC)c1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	2297577719	UQUMHLFAVGFIJT-UHFFFAOYSA-N	544.611	3.744	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314829315	XLSWCVWJTJYQBF-PLMTUMEDSA-N	560.719	3.829	10	10	KHCE	
Cn1c(/C=C2/C(=O)Nc3ccc(Br)cc32)nc2ccc(I)cc2c1=O	39949400	ZHXPDCOVCATYSZ-XYOKQWHBSA-N	508.113	3.793	10	10	KHCE	
CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OC	101741825	REYMSCRLSLMIFN-LFIBNONCSA-N	545.477	3.771	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	102684893	ZWWJRTGZOMWUQB-PTGBLXJZSA-N	578.716	3.927	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084052422	PBYZDOBNNNGGSZ-MHZLTWQESA-N	571.655	3.911	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2cccnc2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	1565533265	WOEMZIORWGKCNL-QLCOJLISSA-N	530.675	3.790	10	10	KHCE	
COC(=O)C1CCC(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1	1616182621	FAZZWQLUKPEFCV-KGBCOHSOSA-N	514.626	3.884	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864007332	KPTWIOFAMOJRRI-HSZRJFAPSA-N	526.037	3.788	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccco1	1865312089	LUXHFLBWJQBIGK-SFHVURJKSA-N	517.508	3.567	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccncc3)CC2)cc1	1865403506	ZFPOOSWNTRKPMG-AREMUKBSSA-N	522.609	3.628	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4sc(C)nc4C)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970398	PZVBIOAQUHHLNV-UHFFFAOYSA-N	519.631	3.937	10	10	KHCE	
COc1ccc(OCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1	1869971091	WXTULXBSPBKCPI-UHFFFAOYSA-N	514.586	3.629	10	10	KHCE	
CCc1ccc(Nc2nc(=NCCN(CC)CC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871585938	XGICBNGSUKBWIZ-UHFFFAOYSA-N	504.683	3.688	10	10	KHCE	
CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O	1873167046	QDEYDDBEEWEULM-UHFFFAOYSA-N	509.610	3.624	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCN(C)C)C2=O)cc1	1873421129	IHKAMLCHXRMLRE-UHFFFAOYSA-N	513.642	3.684	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCCOC)C3=O)c3ccccc32)cc1	2296538567	YSVBISMUMDGMEB-UHFFFAOYSA-N	511.625	3.679	10	10	KHCE	
CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	2365424891	SRMYPORDCSMVOH-GOTSBHOMSA-N	504.539	3.527	10	10	KHCE	
COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1	102838935	VTLYAPQSPYIRQU-GHVJWSGMSA-N	539.635	3.897	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1	210698333	ZPQWVXVKKKCPNC-CPNJWEJPSA-N	516.597	3.816	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2	1864014648	ZMPNPJYKOZALJP-UPCLLVRISA-N	514.582	3.581	10	10	KHCE	
CCOC(=O)Oc1ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867292608	DXPNRCYRDYZNGK-NLFFAJNJSA-N	510.635	3.750	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867689484	FCDSEKKLOULYMH-WDYNHAJCSA-N	634.243	3.669	10	10	KHCE	
CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1	2296055657	YZHWUEDVVVWLRC-UHFFFAOYSA-N	504.616	3.525	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(F)cc1	1084545876	KXLFAPXZXZCWCU-VWLOTQADSA-N	523.630	3.792	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012328	XTYKSHUMHBVNQD-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864014050	MEUARHHYFAIZQR-HSZRJFAPSA-N	546.027	3.976	10	10	KHCE	
CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864022034	JGFAKDDXGGFMQY-KRWDZBQOSA-N	506.456	3.720	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1	1865031172	APFRQOOLVSWTEB-HSZRJFAPSA-N	534.613	3.868	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@H]3c2ccc(O)c(O)c2)c1	1865033890	JWOTVDPGZHJQPN-FQEVSTJZSA-N	544.530	3.532	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1865035511	VWCLJFXSLAELIN-QHCPKHFHSA-N	541.048	3.874	10	10	KHCE	
CCOC(=O)c1c(NC(=O)c2cnc3[nH]ncn3c2=O)sc(C)c1-c1ccc(Br)cc1	1866225114	VXFWXRULSYGURC-UHFFFAOYSA-N	502.350	3.646	10	10	KHCE	
COCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1	1875214340	ORHKDJRUFLUNMY-UHFFFAOYSA-N	500.603	3.509	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1OC	2296730322	WKWPBAAMKUBHSB-UHFFFAOYSA-N	517.611	3.724	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(c6ccco6)SC5=NC4=O)cc3)nc2s1	2297350806	YMQNAOJBAAINDI-UHFFFAOYSA-N	531.579	3.553	10	10	KHCE	
O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1	2313785289	RLDFEOUYIAVQMB-UHFFFAOYSA-N	587.983	3.878	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1	2314600080	CKRJZQJVRWQVFT-KRWDZBQOSA-N	524.686	3.613	10	10	KHCE	
CC[C@H](Oc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O)C(=O)O	2314934426	ZQUZAUJHVQVORA-HNNXBMFYSA-N	513.018	3.677	10	10	KHCE	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CN4C(=O)S/C(=C/c5ccccc5F)C4=O)CC3)=NC2=O)cc1	100353056	SLZJFJLJLDBGCO-NNFYUIBOSA-N	566.636	3.685	10	10	KHCE	
O=C1NC(=O)C(=Cc2ccc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])c2)C(=O)N1	103772667	JKUTWVWXOZVVLY-RUZDIDTESA-N	545.983	3.909	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	210655889	UMXCIFPKFZFLIW-ZMOGYAJESA-N	577.732	3.911	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2	1864009922	NJLNCRNGOKEAFZ-DEOSSOPVSA-N	534.613	3.835	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3cccn3C)CC2)cc1	1865345115	KSSXYGGDNUYPAN-MHZLTWQESA-N	538.652	3.630	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865396600	DEURZZUSOYHCDF-DEOSSOPVSA-N	516.646	3.693	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865475030	BVCUWJQSVCFGBL-RUZDIDTESA-N	547.656	3.622	10	10	KHCE	
CC[C@@H](C)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867584658	YIPRJVOHSKPYMF-JIPXPUAJSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1	1871492277	ROGANJZZHWQBHV-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
CCN(CC)CCCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873169817	XGZUETWFWISIOL-UHFFFAOYSA-N	535.733	3.608	10	10	KHCE	
CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425537	DJGPXJCQCOXBGB-UHFFFAOYSA-N	541.652	3.967	10	10	KHCE	
CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425621	IRGJLPTZSOAXJU-UHFFFAOYSA-N	556.663	3.724	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1	2297345959	RFHYMQFUZWBJPU-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2cc(Br)ccc21	40845321	ZIAZOPNYZBFKGE-PFONDFGASA-N	508.806	3.995	10	10	KHCE	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c(C)c1	59303316	SRZXYEZTAHWUFS-MTJSOVHGSA-N	517.563	3.939	10	10	KHCE	
O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1	526431894	BJVPNCAHCXDVFI-NRFANRHFSA-N	522.564	3.807	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864008295	HRVZLEQFNWRYKE-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018777	CHESXYUMFXISIQ-YKSBVNFPSA-N	518.614	3.512	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019970	SLSCTMCLNSJFFJ-DEOSSOPVSA-N	511.582	3.619	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865577623	UJVDZHMDYNMJTL-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
COCCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873557421	QXXNMJHRQKYSDG-OYRHEFFESA-N	506.651	3.531	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1	2294093798	QROUHJNPXMFNLE-UHFFFAOYSA-N	501.495	3.719	10	10	KHCE	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O	996299	XEFSEOPFNSXFCZ-MHWRWJLKSA-N	539.729	3.523	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2364100	PAEDGAIPTINZSC-LBSLPOPVSA-N	533.679	3.667	10	10	KHCE	
COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCc3ccc(F)cc3)CC2)cc1	20289332	YZJGWDMQQBCBCE-DFBJGRDBSA-N	510.635	3.580	10	10	KHCE	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	33389248	BAGGBOZHXYOIAL-DAQNXSASSA-N	502.662	3.610	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1C	102467514	FXFWFGWORTXNHO-OOFGAGLLSA-N	519.004	3.857	10	10	KHCE	
N#Cc1ccccc1[C@@H]1N[C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]12	150564979	JMJPJRSCQSMJJM-MRLKSMNNSA-N	640.608	3.754	10	10	KHCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526603112	IUJMEVMZFVSPKY-MHZLTWQESA-N	501.583	3.911	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864007818	VVSZBCSVOHSMQW-AREMUKBSSA-N	542.592	3.663	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2	1865032980	OXZXJMVZOZMELV-QMHKHESXSA-N	504.587	3.950	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865316643	ASYUYVREOQVXAG-XMMPIXPASA-N	505.619	3.747	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1	1869018889	SBGGCWZLVIGKOD-AREMUKBSSA-N	535.616	3.839	10	10	KHCE	
COCCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870775696	HVFJRYZBEOZVBC-UHFFFAOYSA-N	521.658	3.982	10	10	KHCE	
COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O	1873165456	JTBPSMKONLIZSJ-UHFFFAOYSA-N	503.599	3.888	10	10	KHCE	
COc1ccc(C=C2SC(N3CCN(C(=O)CN4C(=O)SC(=Cc5ccccc5F)C4=O)CC3)=NC2=O)cc1	2297303539	SLZJFJLJLDBGCO-UHFFFAOYSA-N	566.636	3.685	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1	2297346251	PQINDLGRYDTLCP-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)N(C)C(=O)[C@@H](C)O5)cs3)ccc21	11858008	FCHQXZDHRKMUDT-CQSZACIVSA-N	512.613	3.654	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	100849977	ANIAXZRCYHGYQM-CJLVFECKSA-N	579.704	3.691	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	100886161	PXEFSYPCARDYJE-DEDYPNTBSA-N	524.624	3.663	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	207325063	XJIFGCLTXIZACB-HDAJJNEKSA-N	520.723	3.782	10	10	KHCE	
COc1cc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)ccc1[N+](=O)[O-]	1860602358	FAGUJRNVNISRMX-UHFFFAOYSA-N	513.506	3.870	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997405	NXVOIRKLBIIVDB-MUAVYFROSA-N	510.654	3.680	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864012076	QJYAKNZNAPQQDU-AREMUKBSSA-N	544.583	3.852	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(Br)cc3)CC2)cc1	1865627247	BQSBJLDNELZAPT-QFIPXVFZSA-N	538.446	3.543	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1	1869219605	RMHQWVFYSPYWSR-UHFFFAOYSA-N	529.645	3.938	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(NC(C)=O)cc4)[nH]3)CC2)cc1	1871480856	GNGOQPIGUIZSRJ-UHFFFAOYSA-N	504.639	3.789	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2295916577	APWAMKRUSQNIJS-UHFFFAOYSA-N	515.909	3.811	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1	2297346507	RFNUZLMNXKTFNX-UHFFFAOYSA-N	540.623	3.870	10	10	KHCE	
CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N(C[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N=[N+]=[N-])C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O1	198688260	IGTKSJOVOOVXQS-JWAKGNIASA-N	874.726	3.939	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864014285	RDHUIEQNJZDWMS-QHCPKHFHSA-N	516.602	3.790	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2	1865030997	WQWBWNLXDUQYGS-XMMPIXPASA-N	511.582	3.984	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@H]2CO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865032284	ZWELCHVYVPKUQT-DHLKQENFSA-N	538.604	3.688	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccco3)CC2)cc1	1865310536	QXBJWVIFXMQMDM-HSZRJFAPSA-N	511.582	3.732	10	10	KHCE	
COCCc1nc(N2CCN(Cc3cccc(C)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1867953016	JKJPFAPTVLSOHH-UHFFFAOYSA-N	516.690	3.631	10	10	KHCE	
CCN(CC)CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C)[nH]1	1871484688	MJUKMFYIXRHCRA-UHFFFAOYSA-N	518.710	3.637	10	10	KHCE	
COC(=O)C1CCC(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873165291	GKCRZCXIIZOHRC-UHFFFAOYSA-N	520.674	3.695	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1	2297345886	KRKZTEYDOZJBIH-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1F	35963762	ULTWXCXTTCTIMR-VWLOTQADSA-N	522.577	3.648	10	10	KHCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	207308459	WQRKKORVFUHUQN-ISXGRJCASA-N	577.725	3.826	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1	1864017018	CLCHVKVPCYLVNV-DEOSSOPVSA-N	549.672	3.923	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865026035	IKACCCXHGPCNTE-XMMPIXPASA-N	538.048	3.552	10	10	KHCE	
Cc1ccc(/C(=C/C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	1866693399	FVSWSNFELMDTOH-GVMLUORFSA-N	508.574	3.988	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867603393	PEVYLRKDBSLDLU-RRPNLBNLSA-N	557.761	3.756	10	10	KHCE	
CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870335336	RIXQEGXZMFZGTJ-UHFFFAOYSA-N	504.631	3.833	10	10	KHCE	
CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O	1873170291	UMGRJKGFVKAKFI-UHFFFAOYSA-N	522.690	3.693	10	10	KHCE	
O=C1C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	2314414655	HVUUQUPHPVNUJG-SFHVURJKSA-N	551.669	3.540	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC	2997084	BAFRERBUBWOTGJ-LJJBLSSYSA-N	556.482	3.635	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N4CCc5ccccc5[C@H]34)CC2)cc1	9680351	NGCJBAIPSQRBHS-URLMMPGGSA-N	527.621	3.898	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101911255	POZIORVSEBDXTB-RDTWFDJKSA-N	536.722	3.882	10	10	KHCE	
O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S	101969467	XQUGQDCFNRFPFU-QPEQYQDCSA-N	566.293	3.880	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12	103650203	OBIIUDOCSOFAGU-OEAKJJBVSA-N	563.705	3.663	10	10	KHCE	
CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	110525150	ZYVKRMFELBZAJQ-ULJHMMPZSA-N	551.738	3.608	10	10	KHCE	
CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	110526649	QMEYUJIOVHGDTG-QJOMJCCJSA-N	537.711	3.613	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	1084602145	LPFUAERHIYZSMA-ZROIWOOFSA-N	551.390	3.760	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(F)cc3)c2O1	1865031822	OVOLVLSSWZKHTR-DEOSSOPVSA-N	542.567	3.702	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3Cl)CC1)[C@H]2c1ccc(O)c(O)c1	1865034987	IOJUCNNROJCLFA-QHCPKHFHSA-N	538.048	3.964	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)C(C)C)CC2)cc1	1868638739	UOIJUCKEGFNECW-HHHXNRCGSA-N	504.631	3.999	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868652994	CQHMLHOJHLCVCP-LJAQVGFWSA-N	520.630	3.843	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1	1871593533	DNZZASDKEJLKPN-UHFFFAOYSA-N	505.667	3.638	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCSc4ccccc4)c(OC)c3)C(=N)N21	2297345548	GNMNUUZAHRXMTA-UHFFFAOYSA-N	530.653	3.878	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccccc3Cl)nc12	2314506492	DQNOHHNQNVFGIH-AWEZNQCLSA-N	548.067	3.837	10	10	KHCE	
Cc1ccc(C)c(OCCn2cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	20207704	APAHSSBPEHBTKB-ADKREUBMSA-N	521.624	3.958	10	10	KHCE	
CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526313392	QKGDHFPXUQZGAZ-XMMPIXPASA-N	510.568	3.981	10	10	KHCE	
COc1cc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5cc(OC)c(OC)c(OC)c5)S4)CC3)=NC2=O)cc(OC)c1OC	1081116023	FNJMAFFORNFPHW-MPKYGIEOSA-N	640.740	3.997	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864019878	RACZSURKPYADLU-SANMLTNESA-N	540.620	3.967	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccncc3)CC2)cc1	1865408403	BYKJWTIECWEOBO-XMMPIXPASA-N	522.609	3.534	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866638531	KGBWIWZTDJVDPZ-QHCPKHFHSA-N	579.700	3.511	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867205565	KNZYDPGXOLZAGZ-OAQYLSRUSA-N	509.562	3.863	10	10	KHCE	
CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1	1872719002	QIRGABULXWEFNT-UHFFFAOYSA-N	525.627	3.622	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(Cl)c(C)c1	2297345043	LIRSJZCSYZREEY-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	2314764381	AYRZUNQBEMYSCT-UHFFFAOYSA-N	562.069	3.523	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@H]3c2ccc(O)c(O)c2)c1	1864010747	BKBGKFXEAWTCLK-VWLOTQADSA-N	511.582	3.674	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864013505	XLCTWRUEXWIPCH-JOCHJYFZSA-N	527.021	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccc(C)cc3)CC2)cc1	1865188527	OFKIPVBMOQDWTC-HXUWFJFHSA-N	527.547	3.799	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1	1869003281	CGRKIRFDDJCWSO-KRWDZBQOSA-N	541.446	3.817	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(C)Cc3ccccc3)ncnc21	1873558055	GTPGJFXJEVISGE-UHFFFAOYSA-N	514.630	3.685	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1F	2297345676	RGVODKJKYOZFPU-UHFFFAOYSA-N	516.576	3.813	10	10	KHCE	
COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1	2297345930	OKNHLSWKHVQRIY-UHFFFAOYSA-N	515.617	3.511	10	10	KHCE	
COc1cc(OC)c(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br	2313560913	LGWRZKKXCVPNMZ-UHFFFAOYSA-N	510.138	3.895	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c(C(=O)O)c1OC	2314929433	MNGPMYGZMLKLKF-UHFFFAOYSA-N	523.386	3.711	10	10	KHCE	
COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1	101428442	UYFZRGVBPHFSNM-PIKZIKFNSA-N	566.724	3.501	10	10	KHCE	
COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	1083968541	PCSMBCLSORKMBS-WDZFZDKYSA-N	572.206	3.734	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865029405	MKWIPAJVVNHFSJ-VWLOTQADSA-N	531.657	3.793	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2nccn2C)cc1	1866010396	AINDGLNVGVCTTQ-QHCPKHFHSA-N	516.067	3.834	10	10	KHCE	
CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC(C)C)cc2)C1=O	1873167000	NUUIFMFIPKWYDD-UHFFFAOYSA-N	542.636	3.665	10	10	KHCE	
COc1cc(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)cc(Br)c1OC(C)=O	2297458337	RZGMJXIZJGGPLK-UHFFFAOYSA-N	510.138	3.607	10	10	KHCE	
CCOC(=O)/C=c1/s/c(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c(=O)n1CC(=O)NCc1ccccc1	102924421	ZZROLDFNIYCHII-VSYKHDKPSA-N	565.695	3.959	10	10	KHCE	
CC(=O)O[C@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21	953126623	OITVYNLIELPNNX-YKEAKSACSA-N	556.539	3.752	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864007426	MLEVLHDCPRBQBS-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015375	PYEZBFSJKVILGO-SFHVURJKSA-N	502.493	3.891	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865030760	QFZHPMPWKHSRGK-MFEFFIJZSA-N	503.603	3.830	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865034749	CWSXMUSVCVBQDS-OAQYLSRUSA-N	545.423	3.765	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865402656	RLELZORKNAIFJJ-DEOSSOPVSA-N	516.646	3.549	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869038382	SDOPUCFXHYOFCA-HLADLETHSA-N	569.658	3.757	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1	1869123596	ZDVYHVSAXPEKTQ-RSXGOPAZSA-N	563.699	3.720	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)c(C)c4)n(-c4ccc(OC)cc4)[nH]3)CC2)cc1	1869970733	WHGBIPCWPRQHPO-UHFFFAOYSA-N	512.614	3.902	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	2294094856	ANPIRLSNUCJZKX-UHFFFAOYSA-N	538.148	3.650	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)CC1	33783649	IKOCQFNQFHKPSE-CPNJWEJPSA-N	514.673	3.640	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1	526389406	QXELJBNMYKJIRV-MHZLTWQESA-N	517.582	3.924	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864017912	YFKHHNNERRLDIX-DEOSSOPVSA-N	519.646	3.697	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865033516	BJSZANCNQFSCNI-FQEVSTJZSA-N	546.546	3.677	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1865033723	HCVZEYQSGVMDPA-SFHVURJKSA-N	500.477	3.678	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1	1865034006	MZEGXMWRWHVAGT-GOSISDBHSA-N	518.467	3.818	10	10	KHCE	
CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868744134	AZXPGWXPCQSTRM-AREMUKBSSA-N	543.730	3.790	10	10	KHCE	
CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890884	MRPOIZZIDYOJLA-CLJLJLNGSA-N	519.646	3.932	10	10	KHCE	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326941519	BKWGWWUZCNWHHW-UHFFFAOYSA-N	516.000	3.680	10	10	KHCE	
O=C1/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	100849921	CWDITADPICJRCY-LFVJCYFKSA-N	575.716	3.889	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12	150421849	GPKARVOAEFDXMB-KOEQRZSOSA-N	635.768	3.900	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1	256038173	LYUFMRAHQORSGT-FCHUYYIVSA-N	525.509	3.724	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)C(C)C)sc(C)c1-c1ccc(Br)cc1	1860759392	ZTHPXXZCUVTHKU-INIZCTEOSA-N	511.394	3.827	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984485	RVJRVARDWGCPJN-MUAVYFROSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)=C(N)O2	1865030972	WDYBDYUQHATXRO-RUZDIDTESA-N	531.657	3.614	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3ccccn3)CC2)cc1	1865376101	AKUOZBAILOIYEW-MHZLTWQESA-N	536.636	3.687	10	10	KHCE	
CC[C@](C)(NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692101	WBFMXCBOERNDDD-QCDSWUKFSA-N	521.658	3.984	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869032969	LDUTUFDQROZVKG-SKCUWOTOSA-N	527.621	3.537	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3C[C@H]3CCCO3)CC2)cc1	1870564610	WQMSJCKZXVETIT-RUZDIDTESA-N	508.619	3.542	10	10	KHCE	
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1	2313562083	COJCITCGPBXPCZ-UHFFFAOYSA-N	517.494	3.556	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCCC1	40940544	ROVHJGVWQGBKNU-PXLXIMEGSA-N	525.652	3.941	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1OC	102860306	WKWPBAAMKUBHSB-HZHRSRAPSA-N	517.611	3.724	10	10	KHCE	
Cc1cc(S(=O)(=O)O)ccc1N1N=C(C(=O)O)[C@@H](N=Nc2cc(NC(=O)c3ccc4nc(Cl)c(Cl)nc4c3)ccc2S(=O)(=O)O)C1=O	256005943	VBKALLUZJMIMKJ-HXUWFJFHSA-N	722.501	3.930	10	10	KHCE	
Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1Cl	1860826738	LJCJLZSDIQXZQG-VXPUYCOJSA-N	516.000	3.680	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2	1864013574	CTTRPLZUTQLLST-RUZDIDTESA-N	531.657	3.742	10	10	KHCE	
CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015110	JUEQMWKEHSKQQA-FQEVSTJZSA-N	546.546	3.987	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015191	LVLNBWJSECMKMQ-QGZVFWFLSA-N	504.465	3.530	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1865032429	CEKIMSXREWOSQM-VWLOTQADSA-N	548.640	3.628	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1	1869308096	DEKOTPYHEHOPKH-UHFFFAOYSA-N	528.657	3.546	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccnc5)C4)nc(-c4cccnc4)n3)CC2)cc1	1869371980	MNZJGTBZZHFXOC-AREMUKBSSA-N	509.614	3.847	10	10	KHCE	
COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873165212	IMCHYXISQDTJGX-UHFFFAOYSA-N	525.609	3.817	10	10	KHCE	
COc1ccc(OCCN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873165741	SHXNNWXRJYERCD-UHFFFAOYSA-N	516.642	3.803	10	10	KHCE	
C/C(NCCN1CCN(C(=O)c2ccccc2)CC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100095578	ZITLIDFQXOGZKH-FXBPSFAMSA-N	542.587	3.883	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864010543	NGDOUFZTQAKTBE-XMSQKQJNSA-N	525.005	3.879	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864012957	MXBIQVGVKRGHPH-QHCPKHFHSA-N	524.593	3.672	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864016442	PGIMHCWMZDEUMO-JOCHJYFZSA-N	500.530	3.979	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865029070	FMDYRUIIXXJZBU-AREMUKBSSA-N	540.620	3.952	10	10	KHCE	
COC(=O)COc1cn(CCCCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870449596	DWZBLLIHKUGJJI-UHFFFAOYSA-N	519.642	3.754	10	10	KHCE	
O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	2296845250	PEOKEUZNKCCIOH-UHFFFAOYSA-N	520.615	3.934	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccccc1Cl	2297345232	DZPDOXJLVLDVSZ-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O	2297461314	RCCIGFNXIBAQMH-UHFFFAOYSA-N	524.668	3.986	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	102411776	MFVMVQAPIVWRJX-ASZNLBCTSA-N	577.703	3.969	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	102476532	YYIFXLNGROFZMR-AZGFIHASSA-N	538.651	3.686	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(NCCCn3ccnc3)nc12	102823994	XSQJJAUCPBJMBY-XDJHFCHBSA-N	540.671	3.548	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	252671590	NRNAUNILJRBQMG-MUUNZHRXSA-N	601.681	3.921	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	252671591	NRNAUNILJRBQMG-NDEPHWFRSA-N	601.681	3.921	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccc(Cl)s3)CC2)cc1	1862249321	YFENNAOYLHEADL-NRFANRHFSA-N	500.020	3.806	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864008585	NIFFANLBNDOMGE-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864021877	HPIUGCHBQZMPNC-GOSISDBHSA-N	520.483	3.967	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865033166	UCFVPHRNXDAFGC-BTYIYWSLSA-N	545.423	3.831	10	10	KHCE	
C[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866628149	DZEULXOWMYXYKD-INIZCTEOSA-N	566.035	3.802	10	10	KHCE	
COc1cc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC	1867337317	QVSZPEFYNBTUET-HSZRJFAPSA-N	526.678	3.630	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)Cc3ccc(C)o3)CC2)cc1	1869045559	YOWTXVVHXAXQHV-SANMLTNESA-N	507.656	3.906	10	10	KHCE	
CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870752954	ROBSLXBIEKQKQO-UHFFFAOYSA-N	504.631	3.833	10	10	KHCE	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	2314508212	NTVNXEUHYQHDAY-QGZVFWFLSA-N	541.676	3.800	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N([C@@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	2314832595	JUAYGWLUCJZDJD-SUMWQHHRSA-N	561.037	3.729	10	10	KHCE	
O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1	16922550	UYIHHOOGZPNBLW-NVNXTCNLSA-N	508.480	3.524	10	10	KHCE	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c1	96591961	BOVVKHMURGNSMB-SXGWCWSVSA-N	500.535	3.951	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)n2)cc1	102271470	DOKSTGDXCDEQLN-LGMDPLHJSA-N	530.678	3.839	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864007457	NFZCTQGZNNBVHB-VWLOTQADSA-N	512.566	3.654	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccnc1	1865393757	ATGQMMCWWAXYKY-HXUWFJFHSA-N	542.562	3.759	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800261	SDNMUQFQHMVBRJ-WNJJXGMVSA-N	538.693	3.969	10	10	KHCE	
CC[C@@](C)(NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868919874	RVHQBBAVLFEJAH-MUUNZHRXSA-N	536.702	3.607	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC	2294216919	PPEFAMGBVJCSSW-UHFFFAOYSA-N	528.755	3.793	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(F)cc4)c(Cl)c3)C(=O)N=C2S1	2297346302	UAHJPNVFHQFPDO-UHFFFAOYSA-N	520.951	3.710	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	2314600081	CKRJZQJVRWQVFT-QGZVFWFLSA-N	524.686	3.613	10	10	KHCE	
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641720	TUBBWXLSLPBXSN-PEKRRXIPSA-N	500.617	3.996	10	10	KHCE	
CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)c(C)c(C#N)c1=O	33474840	YHUXSOJJVGHNET-CJLVFECKSA-N	508.669	3.719	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1OC	96450603	SPDZOFHRQXBKCF-SMSGSWJTSA-N	512.569	3.871	10	10	KHCE	
CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	143252069	UDDXHVKJVYTSCE-NDENLUEZSA-N	526.640	3.735	10	10	KHCE	
CCOc1ccc(CCNC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1OCC	1864018507	MLOCDVMKTICCOC-XMMPIXPASA-N	536.629	3.728	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864018829	RMTWTZOQJLAUMQ-QFIPXVFZSA-N	545.011	3.935	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865028294	VEPKSGZQGICMLN-AREMUKBSSA-N	523.593	3.635	10	10	KHCE	
COC(=O)c1c(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(C)cc1	1865988899	QWHOOJFECZFHIT-FQEVSTJZSA-N	554.646	3.857	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868891168	NSNGMIODVOYVLZ-FQLXRVMXSA-N	569.662	3.691	10	10	KHCE	
CCc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccc(OC)cc2)cc1	1869969459	COXPCMYHOLCINV-UHFFFAOYSA-N	512.614	3.848	10	10	KHCE	
CCc1ccc(OC(=O)COc2cn(CC)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1	1870472528	BDHOVYAICCMLPT-UHFFFAOYSA-N	505.615	3.746	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4F)c([N+](=O)[O-])c3)CC2)cc1	20663564	AKZUMBGYIPEURD-UHFFFAOYSA-N	513.547	3.679	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N(CN3C(=O)CSC3=O)c3ccccc3)C2=O)cc1OC	100305676	OVRDRWFGFQYSFP-YBFXNURJSA-N	543.648	3.591	10	10	KHCE	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)c1	103611343	ZGHPGIJLVJTTFA-DBQMFKLFSA-N	505.556	3.755	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OC	206931853	FTIBHKPPGOUDSP-STZFKDTASA-N	513.641	3.797	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864018658	QADFWDOLUHYRQV-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865028876	AFVPDQOBENUBBK-QMHKHESXSA-N	539.032	3.815	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1865031438	GXVVNHABAOZRIX-DEOSSOPVSA-N	544.583	3.684	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)N2CCCCC2)cc1	1867600025	OQNGQMSEMQBABJ-LMSSTIIKSA-N	618.134	3.641	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCC(=O)c3cccs3)CC2)cc1	1868735638	TXMBDFHVYMQXKW-OAQYLSRUSA-N	503.690	3.696	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(NC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC	2295993331	LGOOWLUKJYVZOS-UHFFFAOYSA-N	510.641	3.976	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@@H](C)O1	2296849806	YFUVGIFMSIQAEH-KDURUIRLSA-N	551.694	3.869	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1Cl	2297346038	YDTJDXCOOXCIFI-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3c(CCN(C)C(=O)c4ccccc4)cc4c(c3OC)OCO4)C2=O)cc1	2297639073	YOKIOQFYIOXONB-UHFFFAOYSA-N	555.587	3.967	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)OC	2313561008	PHPCKDFNLVNPIH-UHFFFAOYSA-N	629.201	3.671	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc(Nc4ccc(I)cc4)c3N)CC2)cc1	40727777	VVKXVNQXSHZSHQ-UHFFFAOYSA-N	502.360	3.742	10	10	KHCE	
COc1cc(/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2cc(O)c(O)c(OC)c2)C(=O)/C=C/c2cc(O)c(O)c(OC)c2)cc(O)c1O	95628076	YVLXSHWZFBDIEL-SRDSWEMOSA-N	721.760	3.617	10	10	KHCE	in-vitro
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1	101965126	AYWAPGYMDDXZJF-BZMUBCNJSA-N	579.450	3.904	10	10	KHCE	
O=C(O)Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)n1	210498799	FYCZLFNNALFSJN-RIYZIHGNSA-N	513.569	3.992	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	1554268783	JINZDXVURDZMCG-RGKGMORESA-N	658.849	3.726	10	10	KHCE	
CC[C@@](C)(NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861972899	SXIQEAVMCVVIFR-GDLZYMKVSA-N	510.654	3.680	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012129	RUCJSQVALZXJTA-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1	1864022696	PXVUTNOQCQAIHL-LJQANCHMSA-N	548.518	3.751	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)[C@@H]2c1ccc(O)c(O)c1	1865031324	DXCDMBOHCKMHBZ-NFBKMPQASA-N	546.624	3.868	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865324449	AGZBGJCJCLMYGX-QHCPKHFHSA-N	507.660	3.969	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(OC)cc1	1865642531	UDCZAJNJXGIXPK-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
O=C(N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1	1867194585	DIMLEBDUIORQEA-SANMLTNESA-N	571.593	3.779	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(Cl)nn2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867273464	LZPBGQWUFNPVAS-DEOSSOPVSA-N	568.973	3.811	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1	1871692498	VWEOPTRRBQYWNI-UHFFFAOYSA-N	501.591	3.894	10	10	KHCE	
C[C@@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@@H](C)O1	2296849808	YFUVGIFMSIQAEH-RTBURBONSA-N	551.694	3.869	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600247	UGYZLRPDHFJUKD-SFHVURJKSA-N	550.749	3.872	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(I)c3)C2=O)cc1	101693424	XEESGKNANBKVIQ-SDQBBNPISA-N	527.112	3.734	10	10	KHCE	
N=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103606681	UUDQLXDUYOFRPJ-HGEMSSTASA-N	524.002	3.787	10	10	KHCE	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12	504699926	OQYASPNAHCBYHV-MHTMXISKSA-N	508.530	3.986	10	10	KHCE	biogenic
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864011721	KJFQCVWQUNVOTJ-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
CC(C)OCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864015486	ALDACNBPEFZQJX-HSZRJFAPSA-N	527.581	3.581	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCCO)=C(N)O3)cc1	1864017732	TXFXHFUTPDRWTQ-HSZRJFAPSA-N	536.629	3.599	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864019326	IUGDBDRGEMLCMO-HSZRJFAPSA-N	506.603	3.531	10	10	KHCE	
Cc1nnc(N2CCN(c3cc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(C(C)C)n3)CC2)n1C	1868228584	PPAFIGXPEPPQKX-UHFFFAOYSA-N	522.613	3.883	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)c3ccccc3)CC2)cc1	1868603719	HQLHJOIMFVILCC-LJAQVGFWSA-N	578.625	3.904	10	10	KHCE	
CC[C@@](C)(NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692100	WBFMXCBOERNDDD-FYBSXPHGSA-N	521.658	3.984	10	10	KHCE	
CCCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869069053	ODJLWRKPEHREIQ-HXUWFJFHSA-N	517.552	3.999	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4ccccc4C)n3)CC2)cc1	1869150416	WRHXKQMBZOJIAB-UHFFFAOYSA-N	569.754	3.922	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	2314400971	SSHTVJTZDFOKSW-KDURUIRLSA-N	602.742	3.820	10	10	KHCE	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1	8439072	YBLIYUZXBZZZIY-WZUFQYTHSA-N	569.153	3.913	10	10	KHCE	
CCOc1cc(C(=O)NC(=S)Nc2cc(OC)c(OC)cc2N2CCOCC2)cc(OCC)c1OCC	20496628	RMEXEIMCGGBPDW-UHFFFAOYSA-N	533.647	3.863	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S	34377878	PBEPTZIBIBGARS-KGENOOAVSA-N	506.653	3.803	10	10	KHCE	
CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990089	CREHIHVQLOVBSN-VUFYJBQKSA-N	502.662	3.741	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110075203	VYXVQTRMROHUMP-QNGOZBTKSA-N	576.704	3.655	10	10	KHCE	
CN1C(=O)C(=c2sc(=C/C=C3/SC(c4ccccc4)=C(c4ccccc4)N3C)c(=O)n2C)SC1=S	252626644	RCMZGUDSBCKYSK-NYAOMDLVSA-N	535.741	3.872	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	1772719536	FCWBGWLFEKRUFR-NIUYCRSVSA-N	550.662	3.747	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccccc3[N+](=O)[O-])c3ccccc3)CC2)cc1	1861957624	MHJVZNHRPXKGHB-NDMUKNDCSA-N	500.555	3.823	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864020780	HFJDDBQPSYJGLL-RUZDIDTESA-N	536.592	3.776	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1865031014	XFIMUBXDINFWEM-DEOSSOPVSA-N	538.620	3.750	10	10	KHCE	
COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865032035	UGDUCEDJWBETID-XMMPIXPASA-N	540.576	3.513	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865034973	IMQKLPXHYCRBME-QHCPKHFHSA-N	506.578	3.997	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(O)cc1	1865123094	LPEBRYTXHGWMJE-DEOSSOPVSA-N	517.630	3.613	10	10	KHCE	
O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866858334	XDWQLNALCMGAAO-RUZDIDTESA-N	569.520	3.751	10	10	KHCE	
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1	1867157498	YKOLEUZEUKFFMH-SANMLTNESA-N	557.566	3.933	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)CC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867585240	QLGMKXOLRMICCL-MHWRTBLVSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)CC2)cc1	1868771150	TYEDRHDBZCKQLI-SANMLTNESA-N	533.698	3.678	10	10	KHCE	
CCCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870505585	FBPAVUGKHATOIS-UHFFFAOYSA-N	510.679	3.759	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	2297346118	FFPBIYOSEUDDBO-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)OC	2313560724	DQNKJEAUEULDQL-UHFFFAOYSA-N	582.201	3.829	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861987043	BJUAXLDFORVKKC-MHZLTWQESA-N	516.642	3.543	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011330	GVLCJVOQFJMOKH-JOCHJYFZSA-N	512.994	3.540	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1	1864017981	ZTNKHGNSMYJNGA-QHCPKHFHSA-N	527.581	3.786	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865027418	XVMCKCRULMECBL-DEOSSOPVSA-N	538.048	3.552	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3ccccc3C)CC2)cc1	1865653252	YSZJUVPWTXRMOI-HHHXNRCGSA-N	536.636	3.936	10	10	KHCE	
CSCC[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O	1865987595	XBMLCNLELJBATA-DQEYMECFSA-N	508.688	3.814	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1	1867689690	INUAUBPMQBGGLR-SAIUNTKASA-N	698.286	3.817	10	10	KHCE	
COCCc1nc(N2CCN(Cc3ccccc3C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1867953340	ZGHKIJJBJJRLBK-UHFFFAOYSA-N	516.690	3.631	10	10	KHCE	
COc1ccc(Nc2nc(=NCCCOC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871563468	UGMVYZRBHIZMPB-UHFFFAOYSA-N	507.639	3.608	10	10	KHCE	
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)c1	2295927454	NOXSTAGWPKBMMM-UHFFFAOYSA-N	515.522	3.908	10	10	KHCE	
CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	39991344	DRNIMPCGUQROAR-NYJFEVAISA-N	530.716	3.822	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@H](c2cccnc2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	106015657	WOEMZIORWGKCNL-KKVCJECGSA-N	530.675	3.790	10	10	KHCE	
COc1ccc(CCNc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC	143269892	VAFCQIZYHUCXQX-VLZFXTDASA-N	554.694	3.617	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)CC1	150448335	WIDLVJFROSVBAN-RRAHZORUSA-N	676.821	3.671	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864011262	SJGGPDCDSKIGLR-XMMPIXPASA-N	527.581	3.651	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864017080	DXJVIWOXPOVCSX-QMHKHESXSA-N	527.581	3.963	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865028631	WWEWWLJCUQEWHH-OKHZJLECSA-N	510.978	3.576	10	10	KHCE	
C[C@@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@@H](C)O1	2296716274	VCVLUHHNFKQZQR-RTBURBONSA-N	551.694	3.869	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	2297345941	PGDFBFKFIYWQSM-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1	2313518479	FPTXXNXXERVRPM-UHFFFAOYSA-N	510.138	3.982	10	10	KHCE	
COC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	101740971	ARYKUJJBRMGPKY-SFQUDFHCSA-N	557.488	3.613	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	110522789	OFRBIGTWFVKLIV-QJOMJCCJSA-N	537.711	3.613	10	10	KHCE	
COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]23)c1O	248377067	FLUJZBAGJYEKBT-MSCBGTKOSA-N	520.582	3.847	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]34)CC2)cc1	606675480	LNCYVADCMBVTBX-MUUNZHRXSA-N	510.594	3.939	10	10	KHCE	
CCC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984755	UPALLRYEKDFUSH-HOFKKMOUSA-N	510.654	3.680	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)COc3ccc(C)cc3)CC2)cc1	1862273221	OFALLFVICYFPHX-MHZLTWQESA-N	505.590	3.598	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864008404	JXDDGCYKAMNTRF-AREMUKBSSA-N	536.592	3.581	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864009062	YPMXFTCQWOTLOC-AREMUKBSSA-N	526.593	3.962	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011779	YHCBIZHTLAMVEO-GCJKJVERSA-N	525.005	3.879	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864012392	ZCGPXHXZJXQKPI-RUZDIDTESA-N	530.556	3.810	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864012491	AVYKIYITGWYPIH-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864013683	YXXUTSZUFZHTMX-DEOSSOPVSA-N	511.582	3.685	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864016962	AXHSDJXLHVCULZ-RUZDIDTESA-N	526.593	3.908	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)=C(N)O2	1865030217	FZHWMYDORBVBDF-VWLOTQADSA-N	531.657	3.614	10	10	KHCE	
CCc1nc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869130271	DCWBDGMXVVHZDZ-UHFFFAOYSA-N	525.657	3.818	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N([C@H](CC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1Cl	2314541175	GQWXXTFQQBTYOM-MRXNPFEDSA-N	521.016	3.848	10	10	KHCE	
CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)CN2C(=O)CSC2=O)cc1	72413095	GYJJZTOMUNZPQS-IBGZPJMESA-N	501.406	3.888	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864009556	AOYAKQORWDHBLT-JOCHJYFZSA-N	527.021	3.863	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccccc3O)CC2)cc1	1865525283	UPUTXXYLOFVFIW-MHZLTWQESA-N	537.620	3.938	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1	1867953102	MYWTUQGNNOMXNM-UHFFFAOYSA-N	523.081	3.981	10	10	KHCE	
Cn1nc(C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1cc(F)ccc1F	1868155173	GGMQLYAHJUKWOZ-UHFFFAOYSA-N	500.461	3.509	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1	1873169494	CEXRDTFGWAHOBJ-UHFFFAOYSA-N	530.644	3.868	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2ccc(CC(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873422269	ODXGZFVZPVBFSI-UHFFFAOYSA-N	542.636	3.916	10	10	KHCE	
CSc1ccc(C=C2SC(=O)N(CCNC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)C2=O)cc1	2042444307	ZASNELPSJGBOBT-YHAMSUFESA-N	544.699	3.698	10	10	KHCE	
CCc1ccc(N2C(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C(=O)NC2=S)cc1	2294204874	NLHUPPDLWUFYEN-UHFFFAOYSA-N	522.364	3.702	10	10	KHCE	
CCOc1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)cc1	2295847393	UTANECPALCTGJZ-OAQYLSRUSA-N	574.746	3.901	10	10	KHCE	
Cc1cc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)ccc1Cl	2297345137	VKPPQVPUEVGAKM-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
CCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N(CC)CC)c(OC)c2)SC1=S	101741210	QSXBNANJFKFOAA-SFQUDFHCSA-N	559.504	3.859	10	10	KHCE	
N=C1/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103612309	WHMAOEBGQATEMW-YFIZFCHVSA-N	524.002	3.787	10	10	KHCE	
O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@](Cn5cncn5)(c5ccc(F)cc5F)C4)cc3)CC2)cc1	104851618	BODQCIJGJACIKO-JPQMRUPTSA-N	614.657	3.768	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1	1085194904	HGBZBLPEFVMINN-QRCCHFSHSA-N	772.638	3.522	10	10	KHCE	
C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826523	FYQKQJMOXBEUKE-AKDSAVJFSA-N	516.000	3.760	10	10	KHCE	
CC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890099	SKKNSCZEQJQDGK-ZEQRLZLVSA-N	570.488	3.915	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868942877	UPJZWDQXYQSVFV-HSZRJFAPSA-N	511.573	3.621	10	10	KHCE	
O=C1CSC(=O)N1CCn1cc(OCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871267592	IRPOAEBATLQYAR-UHFFFAOYSA-N	508.600	3.661	10	10	KHCE	
N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1	2297312527	ZBGJYRLZFWKQTM-UHFFFAOYSA-N	540.501	3.821	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(I)c(O)c(I)c1	2313510438	GMLTVVBGPFFCJM-UHFFFAOYSA-N	594.530	3.921	10	10	KHCE	
CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O	39989947	QKXABZICQNAOMT-HMAPJEAMSA-N	508.669	3.985	10	10	KHCE	
CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O	39990190	MHXCWHNUTIAAAB-STZFKDTASA-N	511.648	3.735	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)c(Cl)c3)C(=O)N=C2S1	101399177	UAHJPNVFHQFPDO-LDHMJJSRSA-N	520.951	3.710	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1	101967679	JWGUULRDBYENAE-ATVHPVEESA-N	540.486	3.717	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	1772756607	XLSWCVWJTJYQBF-KHRJXYDASA-N	560.719	3.829	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2	1864018421	KVRHFRAATJFLND-LJQANCHMSA-N	502.493	3.906	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864018504	MJFFCXFTHRMCBD-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2	1864019285	XRGRUBLBCSUQQQ-GYCJOSAFSA-N	527.581	3.822	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865028630	WWEWWLJCUQEWHH-ALLJEULLSA-N	510.978	3.576	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865031154	ZYYDJFJGKPVHBP-OJLQRUNKSA-N	536.604	3.765	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(OC)cc1	1865635144	MSOVXKSNJUUQNY-RUZDIDTESA-N	517.630	3.662	10	10	KHCE	
CC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866886164	JDJBJHRKMTUBSM-NRFANRHFSA-N	539.009	3.813	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(C(C)C)n3)CC2)cc1	1869105382	GXDNSLDPIFUCTR-AREMUKBSSA-N	504.610	3.752	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314600118	HLGDRNAFKWOPKC-MRXNPFEDSA-N	524.711	3.847	10	10	KHCE	
Cc1ccc(C)c(OCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	96459719	ZPMSOEXDXZBNJB-ADKREUBMSA-N	521.624	3.958	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OCC(=O)O	102420141	IJLAPYORPLVHMH-PXNMLYILSA-N	517.332	3.711	10	10	KHCE	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	1084179021	CCWDHQHLIQAKLE-ZROIWOOFSA-N	506.939	3.651	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864011837	LYPNUEXMOREOMM-RUZDIDTESA-N	519.646	3.502	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864013090	PWFUWRVGKZZOQI-DEOSSOPVSA-N	546.603	3.532	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864016811	XVUQDPYTMJTLSO-QRQCRPRQSA-N	532.984	3.796	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864018555	NXAZWOMYVFWIFB-OAQYLSRUSA-N	530.984	3.545	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865029567	QLVALHTVIRSELD-VWLOTQADSA-N	531.657	3.542	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C(=O)OCC)C1)=C(N)O2	1865029671	SLCZGTAICRRTHZ-YADARESESA-N	546.624	3.732	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865030607	NBBAXUDRHZCTCC-VWLOTQADSA-N	528.609	3.925	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)N2CCCCC2)cc1	1865972540	XPTUBHHCZNFFNU-MPFGFTFXSA-N	587.673	3.932	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(F)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970863	YLSOEUWCFQQMBJ-UHFFFAOYSA-N	516.577	3.931	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(OC)c(OC)c4)n(-c4ccccc4)n3)CC2)cc1	1869971133	YRQUUVGYRJMDIQ-UHFFFAOYSA-N	528.613	3.801	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1	1873169131	AJXSUXLGZXGKKV-UHFFFAOYSA-N	516.617	3.825	10	10	KHCE	
Cc1ccc(OCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c(C)c1	2297345088	PQPZGDXIJWRLLI-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1	2297580209	BVKLREPTKLZSJP-VXKWHMMOSA-N	553.706	3.539	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c2)CC1	2314475836	DDSBPMMTRDPMOI-UHFFFAOYSA-N	690.847	3.592	10	10	KHCE	
O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1	2408380	PSEDQZZGHAMYBI-HKOYGPOVSA-N	549.678	3.626	10	10	KHCE	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	101062443	KBHPUYVUMKPSHT-NNIWKIFQSA-N	541.676	3.746	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)c(OC)c3)C(=N)N21	101395419	NJMJEQXUUHIXLX-OCTOJFLBSA-N	528.612	3.554	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	575417426	RDYXRPGVNWOQLW-MPOPWCTDSA-N	765.768	3.581	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864013590	DFDKEPSWKCOEGH-DEOSSOPVSA-N	537.580	3.518	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccn1C	1865351922	ITUBQMLVMNPEAY-FQEVSTJZSA-N	544.578	3.702	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3C(=O)O)CC2)cc1	1865437533	GTPXHJAIWPUBTE-VWLOTQADSA-N	545.640	3.598	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1	1868640323	IZEOAHFPMSLDTH-DEOSSOPVSA-N	540.661	3.927	10	10	KHCE	
CC[C@@H](CC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC	1868965830	YJDWYFHBHZNCQQ-SFHVURJKSA-N	518.452	3.815	10	10	KHCE	
CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870761200	SFZIVUJTBZPYRA-UHFFFAOYSA-N	504.631	3.833	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1	15044534	LJTXULBCCCOYIY-RGEXLXHISA-N	507.634	3.873	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4cccc(C)c4)cc3)C(=N)N21	96460425	CDCHXYBFKNZWOS-DWCAQMBTSA-N	512.613	3.854	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865030000	ZVDJWSMRDJKQKA-MHPIHPPYSA-N	532.641	3.934	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2	1865034736	CPZGKEPKBLKRTM-DEOSSOPVSA-N	517.630	3.537	10	10	KHCE	
CC(C)(NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866888380	NPKBOIPDVFECBZ-UHFFFAOYSA-N	539.009	3.813	10	10	KHCE	
O=C(C[C@H](c1ccc2c(c1)OCCO2)C1CC1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868139985	GHQNGBQQCDFUHM-QFIPXVFZSA-N	510.546	3.872	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)CC2)cc1	1872719726	WTFDRRSONORZBF-UHFFFAOYSA-N	509.628	3.840	10	10	KHCE	
CC(NCCN1CCN(C(=O)c2ccccc2)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	2293934569	ZITLIDFQXOGZKH-UHFFFAOYSA-N	542.587	3.883	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1C[C@@H]1CCCO1	2296697904	YRWUVKDXYLFERL-QHCPKHFHSA-N	596.756	3.940	10	10	KHCE	
Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O	248087759	FSDGAINXAIWPKW-FAWUNYRSSA-N	551.393	3.685	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	1084008882	PPKZFPXETZHBLZ-XMMPIXPASA-N	586.508	3.644	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864013074	PNZMSTOIFVHNKB-PXDATVDWSA-N	532.641	3.902	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1cccc(OC)c1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865105786	IKJBGVLLSZJPKX-DEOSSOPVSA-N	547.656	3.622	10	10	KHCE	
COc1cc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1	1865665081	AJQAAONTPYTUSM-ZHZULCJRSA-N	507.484	3.889	10	10	KHCE	
CCOc1ccc(-n2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)cc1	1866286190	BKVPWIUGEBSJAY-SANMLTNESA-N	503.647	3.963	10	10	KHCE	
CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccc(OC)c3)n2)CC1	1867993593	WGJWETQPKZEVJX-UHFFFAOYSA-N	532.645	3.766	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)CC1	1873162223	LAIVMFIOARMIMW-UHFFFAOYSA-N	527.625	3.980	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326943702	AZKSYAOTNABJCV-GFCCVEGCSA-N	516.000	3.760	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1	40938616	DDGFWFOAPSAYHG-HMMYKYKNSA-N	506.646	3.631	10	10	KHCE	
O=C1/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	100880595	HVUUQUPHPVNUJG-RMDTYCCRSA-N	551.669	3.540	10	10	KHCE	
CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)NC1=S	101724843	JGJCEANUFUENEP-DHDCSXOGSA-N	557.207	3.889	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=N)N21	104561867	QFELVWODGRORMT-HMRXBZFQSA-N	536.035	3.776	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1864011596	WEIDBMPJKVGMEY-RUZDIDTESA-N	514.582	3.983	10	10	KHCE	
CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015441	RGJVTKPPOKKCRS-LJQANCHMSA-N	532.519	3.928	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865031898	QVGCEFHALSDIRS-HSZRJFAPSA-N	517.630	3.619	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2	1865035279	PVCRCBMGOWXNLA-QHCPKHFHSA-N	505.619	3.694	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437240	DBTJHKZHSQKMAK-ZUKKLESISA-N	561.727	3.999	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868645666	WIXNDXNQYKQWNF-XMMPIXPASA-N	508.594	3.974	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)C[C@H]3CCCCO3)CC2)cc1	1869043184	HOTVRQGQOZGBAD-FTJBHMTQSA-N	511.688	3.721	10	10	KHCE	
O=C1C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc2N1Cc1ccccc1	2038109068	QIYVEBQVGZKBGM-HNNXBMFYSA-N	549.493	3.754	10	10	KHCE	
Cc1cc(C)c(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c(C)c1	2326941590	WLYJXUXFBSNFNL-UHFFFAOYSA-N	509.609	3.643	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]3c2ccc(O)c(O)c2)c1	1864016091	HLISOHKNVGSAQZ-UQBPGWFLSA-N	540.620	3.818	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864016516	RENXNHYMEFIDDK-HSZRJFAPSA-N	530.556	3.606	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018817	RHHCFFVZVNWNTG-QRQCRPRQSA-N	542.995	3.687	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865184584	LBYBISWKFOMKKZ-DEOSSOPVSA-N	501.631	3.733	10	10	KHCE	
CCC[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868926600	UXYUTPBAYRSPBC-AREMUKBSSA-N	553.704	3.851	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425805	MQLYZSTVRILPQN-UHFFFAOYSA-N	513.642	3.684	10	10	KHCE	
COc1ccc([C@H](C)NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1	1873933644	ANRGUZGYMKEJOB-AWEZNQCLSA-N	501.491	3.812	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)CC1	2296552733	IKOCQFNQFHKPSE-UHFFFAOYSA-N	514.673	3.640	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(C)cc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2296851811	KWXBEACHVFUCDB-NRFANRHFSA-N	544.720	3.811	10	10	KHCE	
O=C(O)CCCCCNC(=O)CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S	2314827440	DZZSQOZOWYHNEQ-UHFFFAOYSA-N	566.293	3.880	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccc(C)cc1	104561404	POPUTMQHENWGMY-NFBUKIRSSA-N	526.596	3.624	10	10	KHCE	
O=[N+]([O-])c1ccc(N2N=C(c3ccccc3S(=O)(=O)O)NN2c2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)cc1	1772508817	CUGXANXMIYSGJI-UHFFFAOYSA-N	689.666	3.858	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864011426	HMQXXCPDBBOQCY-OAQYLSRUSA-N	533.412	3.805	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865026291	LTCXWBWAQNDGJH-YKSBVNFPSA-N	539.032	3.763	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865031074	YHJDUSFVNAZOIV-AREMUKBSSA-N	545.684	3.851	10	10	KHCE	
C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031423	GPXOMFKLTPNGTH-KSMMKXTCSA-N	530.503	3.633	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865031889	QQUKUZBOLSTCNX-XMMPIXPASA-N	529.641	3.670	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)CC2)cc1	1872720842	XSRRNNQDIHYSNA-UHFFFAOYSA-N	509.628	3.840	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c(C)c1	2297345985	UHZMTJMNZXFZKJ-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c(OC)c1	2313543853	NMTCSVVNUYMHIL-UHFFFAOYSA-N	506.540	3.851	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	100885695	QNANMFQYGUKSKK-ZRZWOPFXSA-N	594.784	3.850	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc(OC)c1OC	103484703	FIEDTQRUMWYMJP-LDADJPATSA-N	561.707	3.982	10	10	KHCE	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OCC)cc3)C2=O)cc1Br	104208347	JFLLTLBEFPONCW-BOPFTXTBSA-N	533.400	3.621	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864009419	HAHQKTNKWYHHRP-QHCPKHFHSA-N	544.027	3.596	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1864011719	KJENTPKQJAWRSD-SANMLTNESA-N	533.673	3.811	10	10	KHCE	
NC1=C(C(=O)NCc2ccccn2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864015522	BCRKNVCHOFHRFB-DEOSSOPVSA-N	532.560	3.752	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@@H]2c1ccc(O)c(O)c1	1864023303	XSYBJHMVWZAPOC-MRXNPFEDSA-N	508.884	3.997	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2	1865030649	NYZPXNWIELNATL-OAQYLSRUSA-N	547.439	3.747	10	10	KHCE	
C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1	1865033491	ASACCNXRUIKXMH-PJIJBLCYSA-N	529.519	3.896	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1	1868829314	YHWOIZNILZDVEH-DTXPUJKBSA-N	559.638	3.939	10	10	KHCE	
CC[C@](C)(NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868907679	OGSZUOWHBXUSHF-MHZLTWQESA-N	507.660	3.780	10	10	KHCE	
COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	2296845209	GXKOJOOPSLPPSH-UHFFFAOYSA-N	540.667	3.604	10	10	KHCE	
Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCC5(CC4)OCCO5)nc4ccccn4c3=O)SC2=S)cc1	100920213	PZBAEQCVYMIORB-LTGZKZEYSA-N	534.663	3.748	10	10	KHCE	
CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143343182	FOLOFIVRXBAGLN-UQEONJGVSA-N	630.814	3.889	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1	1864022944	SHJMOWZXQHWHMA-KRWDZBQOSA-N	506.456	3.873	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2	1865030755	QDVZQOLYORHDFO-VWLOTQADSA-N	523.593	3.911	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865035700	ZMSQYXLCLPHQIC-RUZDIDTESA-N	531.657	3.927	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1cccc(OC)c1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865436457	PUZQRIWYNWUCAH-XMMPIXPASA-N	547.656	3.535	10	10	KHCE	
CC(C)[C@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	1866753023	SLHGAJMGNZMWGX-UPVQGACJSA-N	502.542	3.847	10	10	KHCE	
CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867819313	UBJONEWLGFQLMU-NOZRDPDXSA-N	540.621	3.729	10	10	KHCE	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867897772	HMMHTBQCUKIVKN-UZUQRXQVSA-N	502.015	3.776	10	10	KHCE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1	2200967586	BNCQRYMJSBONNP-IBGZPJMESA-N	580.679	3.765	10	10	KHCE	
CN1C(=O)NC(=O)C(=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O	2294133775	JIDCYAGCYKRAHS-UHFFFAOYSA-N	538.148	3.580	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OC	2313561229	ZSXBMXPJDZHMKA-UHFFFAOYSA-N	557.138	3.737	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4cccc(C)c4)cc3)C(=O)N=C2S1	20208422	IXQSEXQQZUJADM-DWCAQMBTSA-N	512.613	3.854	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(C)cc1	101974432	LQVRGDHAQXQDNS-QERUCQRHSA-N	623.734	3.763	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)OC)c(OCC)c3)C2=O)c1	1084025159	AFSQTAZNDYAPDH-YVLHZVERSA-N	591.411	3.863	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864019979	SQAKGOIRLTZFSC-VWLOTQADSA-N	525.609	3.928	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1865025905	FFIWOYYJONUWOB-QHCPKHFHSA-N	527.021	3.620	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865032634	HMIXJTRYTOYJQH-GAJHUEQPSA-N	539.032	3.957	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865489178	FYPBBLMFWZYEAR-DEOSSOPVSA-N	545.640	3.606	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)N2CCCCC2)cc1	1867717322	UHHTUSONXHQKSA-NDEPHWFRSA-N	571.653	3.766	10	10	KHCE	
CCCCCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870501285	ILXXQQWOQACPKG-UHFFFAOYSA-N	519.646	3.782	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@@H](C)C3)ncnc21	1873559026	NNAUJDQDQPVPLI-OAQYLSRUSA-N	506.651	3.675	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1	2297346296	SLROKQCSFUGSBD-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
COc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	2313559371	XGYNSWONXZFFPI-UHFFFAOYSA-N	608.170	3.875	10	10	KHCE	
O=C(O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	2313559822	VQPMNEIUZBQKFK-UHFFFAOYSA-N	697.017	3.788	10	10	KHCE	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)CC2)cc1	102861333	MKVSNMZLLLNHIG-ZRZWOPFXSA-N	577.732	3.718	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1	207325388	CKRJZQJVRWQVFT-DKFVHQPUSA-N	524.686	3.613	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccccc3[N+](=O)[O-])c3ccccc3)CC2)cc1	1861957623	MHJVZNHRPXKGHB-GUWJCNJBSA-N	500.555	3.823	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864013267	UOVFNIMIXJBNDY-XMMPIXPASA-N	529.572	3.824	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@H]3c2ccc(O)c(O)c2)cc1	1865027023	DBWBPEWOZMGMQS-VWLOTQADSA-N	526.549	3.721	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865028875	AFVPDQOBENUBBK-MWTRTKDXSA-N	539.032	3.815	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2	1865030996	WQWBWNLXDUQYGS-DEOSSOPVSA-N	511.582	3.984	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035061	KGWVHUBVLKZLCQ-YADARESESA-N	536.604	3.502	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(N(C)C)cc1	1865077187	QLETWVXSKPODND-AREMUKBSSA-N	530.673	3.720	10	10	KHCE	
CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866879255	OBCAFSACWUKGNP-UUOWRZLLSA-N	541.629	3.692	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3nc(C4CC4)n4ccccc34)CC2)cc1	1868778457	LWVYEWZRNPFUPB-AREMUKBSSA-N	523.637	3.910	10	10	KHCE	
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCc3ccc(Cl)cc3)cc1C2=O	1873938078	QDLLXLDEDZISJM-UHFFFAOYSA-N	505.910	3.939	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCCN5CCOCC5)ncnc4n3Cc3ccccc3)CC2)cc1	1875217214	ZIHADJKXFKUCPC-UHFFFAOYSA-N	569.710	3.585	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	2297346192	KVLZEQXDVZKILQ-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1	103701750	JDXRTAILLDZIQE-PXLXIMEGSA-N	535.695	3.948	10	10	KHCE	
CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S	206868358	DUHLLSSUHIUGQN-HKWRFOASSA-N	508.662	3.877	10	10	KHCE	
CCCOC(=O)c1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	1860826772	MFRFXEYAEZGXGR-MRCUWXFGSA-N	510.593	3.846	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864007427	MLEVLHDCPRBQBS-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864013374	WPARRHYEUJLRJW-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018775	CHESXYUMFXISIQ-HYBUGGRVSA-N	518.614	3.512	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864020417	YOHZJANENDGWAR-XMMPIXPASA-N	511.582	3.619	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)c(OC)c1)=C(N)O2	1864020596	DTFJYKHADQAUSM-DEOSSOPVSA-N	536.629	3.583	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCN(Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	1864022909	ZWIHXSZUTVAPBY-VWLOTQADSA-N	531.657	3.742	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030899	UCEQJYHNNWYDML-QFIPXVFZSA-N	525.005	3.502	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865032309	ABLAEQBOYPQNGU-XFAGBWLFSA-N	518.614	3.544	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21	1866849343	DDRZSSRVMHCFIQ-RUZDIDTESA-N	534.572	3.749	10	10	KHCE	
CCCc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1867976065	AQEXROVTOIJAKB-UHFFFAOYSA-N	530.673	3.815	10	10	KHCE	
CCCC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869069052	ODJLWRKPEHREIQ-FQEVSTJZSA-N	517.552	3.999	10	10	KHCE	
CCOc1ccc(NC(=O)COc2cn(CC)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1	1870701393	VUIQBGAIZYCGEO-UHFFFAOYSA-N	520.630	3.615	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	100850975	ZKCIYIGXEWQRGA-DENSEHQSSA-N	602.742	3.820	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	105451039	HNZAXDKZYNUVFT-ULJHMMPZSA-N	623.757	3.743	10	10	KHCE	
CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143354204	SCFYCKNQCFCDFT-JHHOAVTDSA-N	600.744	3.558	10	10	KHCE	
CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990958	IOEIAMKNPOIGJJ-ATIYNZHBSA-N	513.082	3.804	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C(=O)OCC)CC1)[C@H]2c1ccc(O)c(O)c1	1865031345	FDVSUZDZZAQNCX-QHCPKHFHSA-N	546.624	3.868	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC3(CC1)OCCO3)[C@@H]2c1ccc(O)c(O)c1	1865031454	HIYKEPPAPCOQSF-HSZRJFAPSA-N	546.624	3.677	10	10	KHCE	
CCOC(=O)Oc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867292607	DXPNRCYRDYZNGK-NBGIEHNGSA-N	510.635	3.750	10	10	KHCE	
COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1	1873165388	MLTAZWCGWPYWPI-UHFFFAOYSA-N	528.653	3.945	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1C	2297345339	OCYSYLNHVBOGBJ-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2)cc1	2328579579	SJMUDMFGPULZBO-HHHXNRCGSA-N	500.555	3.823	10	10	KHCE	
CCOC(=O)c1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N/c1ccc(S(=O)(=O)O)c2ccccc12	95669584	LEQTYJPRFNHOFU-WCWDXBQESA-N	546.539	3.817	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)[C@H](c2ccc(Cl)cc2)C1	101024035	ITDLBJWDOANWDD-MHZLTWQESA-N	552.050	3.970	10	10	KHCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	102431144	ZDXIPJNUTAGFOA-HXTJDARSSA-N	535.695	3.791	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cccc21	1858626374	XECDKJBDVMQARL-UHFFFAOYSA-N	509.971	3.654	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864012280	WTMQGYDSGNAWDF-HSZRJFAPSA-N	527.021	3.930	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865032251	YYCVQBAGKQPARM-XMMPIXPASA-N	531.657	3.865	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035110	LOFCUBHAFFPYQA-GBXCKJPGSA-N	536.604	3.502	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867360368	ZCPVTOUNCZEQMR-RPBOFIJWSA-N	527.691	3.856	10	10	KHCE	
Cc1ccc2sc(/C=C3\Sc4ccccc4N3CCCS(=O)(=O)O)[n+](CCCS(=O)(=O)O)c2c1	100717937	CISMFNCUMCDBJN-UHFFFAOYSA-O	541.718	3.964	10	10	KHCE	
CCc1cccc(C)c1N1C[C@@H](C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	1862174447	OTVPLCPZGYXFJC-JHOBJCJYSA-N	520.674	3.553	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864008002	ZONVWTQJYQHBNG-RUZDIDTESA-N	528.565	3.620	10	10	KHCE	
C[C@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867403229	CLROPUANXAGLNP-MBSDFSHPSA-N	501.469	3.977	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3snc4ccccc34)CC2)cc1	1869057293	MSKSGFHZKJKKAW-VWLOTQADSA-N	500.624	3.995	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)n(C(C)(C)C)n3)CC2)cc1	1869970514	MFNXLAHVHWDTSB-UHFFFAOYSA-N	518.618	3.767	10	10	KHCE	
CCCOc1ccc(Nc2nc(=NCCCOC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871724602	YLYCGXMSXQWPTB-UHFFFAOYSA-N	507.639	3.610	10	10	KHCE	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	2313682673	IHZGUFWAEQZQGO-UHFFFAOYSA-N	568.568	3.652	10	10	KHCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=S)Nc2ccccc2)CC1	20594881	RNEVIOFUHSLUKR-NMWGTECJSA-N	521.647	3.586	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1	105451008	GZRCUCJAIOVIIM-PYCFMQQDSA-N	563.705	3.725	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864017197	HVLXAGFSJZCNGP-XMMPIXPASA-N	542.592	3.880	10	10	KHCE	
C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031281	DGMNVVVGGTUYIJ-RHGYRFJNSA-N	539.592	3.676	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1	1868789629	CIJZPDCCPWNLSZ-ABYGYWHVSA-N	572.731	3.815	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1	1869225152	BZMWMTWMSQUDCD-HHHXNRCGSA-N	504.610	3.581	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870744499	RKYAPBFUICYXNV-UHFFFAOYSA-N	520.630	3.615	10	10	KHCE	
O=C1C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	2296056464	NSENLBKHVGWLHW-LJQANCHMSA-N	504.593	3.834	10	10	KHCE	
O=C(O)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S	2296720249	FABMXTJIPZWTIV-UHFFFAOYSA-N	568.702	4.000	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCC4(CC3)OCCO4)nc12	2296731411	VNBWXWXZWPOWQY-UHFFFAOYSA-N	534.663	3.748	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2314476512	PUYBDDMTROTDPF-QFIPXVFZSA-N	614.796	3.712	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1	2314488854	PMCIOEUWAUGHRL-SFHVURJKSA-N	509.565	3.677	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@H]2COc4ccccc4O2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008027	AEIVBOWMTJVRSN-RXFWQSSRSA-N	540.576	3.551	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864008623	OPHHQKHUQVZHFF-VWLOTQADSA-N	514.557	3.844	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@H]2c1ccc(O)c(O)c1	1864015317	OGIDLSQXZHUYBD-QHCPKHFHSA-N	528.613	3.715	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc4ccccc34)c2O1	1864022941	SFSSTJJXLLFENZ-HXUWFJFHSA-N	540.498	3.649	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865029780	VFIFBGQKQMFHGW-AVRDEDQJSA-N	525.005	3.567	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3F)CC1)[C@H]2c1ccc(O)c(O)c1	1865034578	ZWUYABHFFCBWSV-IBGZPJMESA-N	547.509	3.516	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867801210	IRHXOQOINQQSER-ILBGXUMGSA-N	555.676	3.920	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1	1869113935	QJNZUECCXMUABS-SANMLTNESA-N	520.653	3.633	10	10	KHCE	
O=C(COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)N1CCOCC1	1871034560	UXPZXCHRFFGPDP-SANMLTNESA-N	518.614	3.621	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1	1871683725	VOTCSOIUXWDPGY-UHFFFAOYSA-N	517.584	3.727	10	10	KHCE	
CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1	1873422180	JYYPXULZZHSJML-UHFFFAOYSA-N	514.582	3.599	10	10	KHCE	
CCCCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873582292	VKMHGNBEXCVOOB-UHFFFAOYSA-N	516.650	3.583	10	10	KHCE	
C[C@H](Oc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1)c1ccccc1	2297467688	MHHAHZKCXLXQBH-KRWDZBQOSA-N	503.584	3.695	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c(OCC)c3)C2=O)cc1	2313518694	OUKUPMBLORLYDC-UHFFFAOYSA-N	536.322	3.764	10	10	KHCE	
CN(Cc1cccnc1)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O	100035335	UUDNJXMDBDPSPH-QWPUVAJCSA-N	582.749	3.707	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)ns3)C2=O)cc1	102271487	ODIIFDKHOQLVOJ-AQTBWJFISA-N	560.704	3.847	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(C)cc1	104563346	JTMAIHJCKWVZRK-BVDVPRQSSA-N	526.596	3.623	10	10	KHCE	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@@H](C)O1	229085115	YFUVGIFMSIQAEH-KTMBLSSYSA-N	551.694	3.869	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1	1861957020	WQFUWTZGSUWPKP-UDKPXMKSSA-N	514.582	3.693	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864014036	LUCHBEOBLNZEJN-JOCHJYFZSA-N	502.575	3.544	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1OC	1865591677	BSRGPXQPOXGALF-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
C[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867375667	ODVKEUSBHSJDIT-WZONZLPQSA-N	501.469	3.977	10	10	KHCE	
CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1868019182	NHOXOCBCKQTQPC-FTJBHMTQSA-N	534.657	3.805	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccccc4C)oc3C)C(C)C)CC2)cc1	1868629779	CYTLMPSAQDVBFA-MHZLTWQESA-N	504.631	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1	1868932361	OJLQNCOZYZZDGN-JOCHJYFZSA-N	529.613	3.564	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873163891	BSWDJSXBRHVGSA-UHFFFAOYSA-N	527.625	3.980	10	10	KHCE	
CC(C)CN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2296347540	QWHFMHXRTHRICK-UHFFFAOYSA-N	505.669	3.878	10	10	KHCE	
COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1	2297104931	SGXAEDAUXBPTCC-UHFFFAOYSA-N	529.505	3.915	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1	2297345932	OPMIDZMYCWLUHT-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C	2297345952	QSDXPKWJIUWUDL-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccccc3N3CCC(NC(=O)Cc4ccccc4)CC3)CC2)cc1	37277167	ZTQITUZNEBOPJB-UHFFFAOYSA-N	512.654	3.985	10	10	KHCE	
CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	110556465	HWNROMOBGBZSCS-CJLVFECKSA-N	540.692	3.781	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@@H]2CCCO2)=C(N)O3)cc1	1864017815	VVEWWAGMXDWAEL-REWPJTCUSA-N	534.613	3.616	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2	1865030480	KRXLJPBFHBDRTJ-DEOSSOPVSA-N	535.620	3.839	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868620170	XTWUSEDADRQUEL-MHZLTWQESA-N	563.120	3.526	10	10	KHCE	
C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869047120	ORLQAZXBKZGIBF-MHZLTWQESA-N	517.601	3.932	10	10	KHCE	
COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1	1873165163	GOZCQJCNRHBHJV-UHFFFAOYSA-N	514.626	3.702	10	10	KHCE	
CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O	1873167755	WHRAKMFWZPZHJV-UHFFFAOYSA-N	535.733	3.608	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CN4C(=O)/C(=C/c5cc(OC)c(OC)c(OC)c5)SC4=S)CC3)=NC2=O)cc1	96022330	HRQXQAYRBHZWQU-MPKYGIEOSA-N	654.792	3.737	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccc(Cl)cc1	104561421	CIOSBSYDJSFMBQ-IHLSHBBNSA-N	547.014	3.969	10	10	KHCE	
CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	206723184	BNDIXZQYLSFWNO-XLNRJJMWSA-N	550.699	3.648	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCOCC4)=NC3=O)c2)C[C@@H](C)O1	1554268954	UJRJQHPJFGECKN-FSBBWMIQSA-N	593.731	3.640	10	10	KHCE	
COCCCN(Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12	1614472321	YZVKKUBJPHTXEN-YKSBVNFPSA-N	500.636	3.626	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864017603	PWEDUVFSJXTLBZ-QFIPXVFZSA-N	535.004	3.597	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC(=O)OCC)Cc1ccccc1)=C(N)O2	1865030359	IHDTXRVTSXSECD-XMMPIXPASA-N	534.613	3.553	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868615798	OIEKBKVUTXTCIM-HHHXNRCGSA-N	548.684	3.975	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4cccc(Cl)n4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1	1869970979	WDYVQFVDVUBWMY-UHFFFAOYSA-N	524.412	3.979	10	10	KHCE	
Cc1ccc(C)c(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	2297499390	ZYKIQDWJTNMADW-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
Cc1ccc(C(=O)NN2C(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)c(Cl)c1	2297560057	HNMVRBDEZGFKON-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3OC)C2=O)cc1	2313548309	RVKFQLXXLRVCJQ-UHFFFAOYSA-N	604.138	3.579	10	10	KHCE	
C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S	15048154	UYHCZHDBAMTLDI-MKVLZVNKSA-N	501.424	3.506	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4C)cc3)C(=N)N21	96460467	DJWPKWDOVQUPOJ-NSRJHJJVSA-N	512.613	3.854	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2	1864009468	HYGOLMSMTAILCR-NRFANRHFSA-N	500.958	3.910	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864016603	TZVXCYHYYUAMHZ-WAIKUNEKSA-N	547.011	3.855	10	10	KHCE	
CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864022582	PIDDDIVCQZPTSI-KRWDZBQOSA-N	503.481	3.698	10	10	KHCE	
CCC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868908576	NCAHSDFWGAPZQB-XMMPIXPASA-N	507.660	3.780	10	10	KHCE	
CCCOc1ccc(Nc2nc(=NC[C@@H]3CCCO3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871724836	IKHTYGUQZUFBIX-VWLOTQADSA-N	519.650	3.752	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1	2297461566	IJUUUBZECZISOU-UHFFFAOYSA-N	548.690	3.918	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1	20208418	COBMIQVMICPZKN-DWCAQMBTSA-N	512.613	3.854	10	10	KHCE	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCNC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)C1=O	150414301	ZYFPZFAKRURCHV-BOYKQRMESA-N	670.860	3.819	10	10	KHCE	
CCCC[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861882045	AEVZQTVRFWPHIS-MHZLTWQESA-N	520.674	3.571	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2	1864012925	MHPHKPORAWBNHQ-LRTDBIEQSA-N	547.439	3.794	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864016808	XVUQDPYTMJTLSO-IVZQSRNASA-N	532.984	3.796	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865026479	JYSRQIXPWYEFOX-MHZLTWQESA-N	537.620	3.631	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865029287	JVGRIFQUUUTBKA-VWLOTQADSA-N	531.657	3.792	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865407497	HAOBVUQJDJXJSQ-XMMPIXPASA-N	516.646	3.693	10	10	KHCE	
CCN(CC)CCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC	1873570845	KZTAZQCBIAGGGU-UHFFFAOYSA-N	507.683	3.638	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCOCC3)nc12	33925032	BFKLNZLBOHSUHC-HEHNFIMWSA-N	506.653	3.674	10	10	KHCE	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1C[C@@H]1CCCO1	110556553	SDXOKPVMZYYAKU-VAHWYXDJSA-N	596.756	3.940	10	10	KHCE	
CCCCOCCCOc1cc(N)c2c(c1N)C(=O)c1c(N)c(OCCCOCCCC)cc(N)c1C2=O	206678616	AAIDCJYQCRRSMF-UHFFFAOYSA-N	528.650	3.962	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1	1862216519	AJUPETJXDUYTHJ-JPYJTQIMSA-N	506.068	3.703	10	10	KHCE	
CCC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867295141	PVBPHYSVORYAHO-KAYWLYCHSA-N	508.663	3.920	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1	1868977806	PEAIBANHVBHIKZ-MUUNZHRXSA-N	556.692	3.861	10	10	KHCE	
O=C1C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(Cl)cc1	2040469780	MSGXBEWYXXQYLT-OAHLLOKOSA-N	505.042	3.645	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	2297345299	KFBXWPIVWDZIJJ-UHFFFAOYSA-N	540.623	3.833	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	2313561053	RPJOXFNHYFYIHO-UHFFFAOYSA-N	527.112	3.729	10	10	KHCE	
C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1)C(=O)O	2314930532	FNHJCIVXIHCVTQ-LLVKDONJSA-N	507.387	3.847	10	10	KHCE	
CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S	33812529	SOPLQBODOWIXJH-JCMHNJIXSA-N	507.685	3.592	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	102835207	AEVVHZNLQCDCHY-BYFYWULKSA-N	504.678	3.533	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	207325753	UGYZLRPDHFJUKD-ACRNLXFHSA-N	550.749	3.872	10	10	KHCE	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	207328399	GTBYZNFVGLPOEC-WZUFQYTHSA-N	580.711	3.653	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1	1081156742	BVKLREPTKLZSJP-WCQUILQHSA-N	553.706	3.539	10	10	KHCE	
CCCOc1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1	1859006335	PHUHPKCOXIYFQN-FRKPEAEDSA-N	523.611	3.907	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@H]2c1ccc(O)c(O)c1	1864016955	ATPHXOJEMUIWCX-QHCPKHFHSA-N	535.645	3.533	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864018997	UAGFGQIORAYAOO-QFIPXVFZSA-N	504.518	3.648	10	10	KHCE	
CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2	1865033323	XIRCLGLVFUAKAT-HXUWFJFHSA-N	525.403	3.925	10	10	KHCE	
Cc1ccc(/C(=C/C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	1866693400	FVSWSNFELMDTOH-KMBIYUNPSA-N	508.574	3.988	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cc(OC)c(OC)c(OC)c4)n(C(C)(C)C)n3)CC2)cc1	1869970062	DKXFJEGRRKZTKL-UHFFFAOYSA-N	524.622	3.646	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1	1871686319	JSJLNDGLVWSSCQ-UHFFFAOYSA-N	517.584	3.993	10	10	KHCE	
[N-]=[N+]=NCCCCCCOCCOCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	2080389384	JUXLQOHNAZVQSN-QHCPKHFHSA-N	600.673	3.507	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc(Cl)c1OC(=O)c1ccco1	2297345823	GHSJBAYKUPSKPP-UHFFFAOYSA-N	536.975	3.561	10	10	KHCE	
Cc1cccc(OCCn2cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	2297345963	RRHAWCSWHOYWJT-UHFFFAOYSA-N	507.597	3.650	10	10	KHCE	
COc1cccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C\c5cccc(OC)c5)S4)CC3)=NC2=O)c1	975561	OWEWEJWZNJMOIM-KBNZVFGVSA-N	520.636	3.962	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21	20206682	ATWFRKAFOCVBIX-XSZXRDMNSA-N	519.004	3.809	10	10	KHCE	
CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990040	PFCDMJUCAHGFRY-UYRXBGFRSA-N	502.662	3.741	10	10	KHCE	
CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143347047	RQAHBFAVQFDMJM-UUMRFZBWSA-N	556.735	3.829	10	10	KHCE	
CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	206845805	JLSSTTKZBJDFJF-HKWRFOASSA-N	506.646	3.631	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864017135	GDSJSFFPMPHXAS-OAQYLSRUSA-N	546.455	3.915	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@H]2CCCO2)=C(N)O3)cc1	1864017812	VVEWWAGMXDWAEL-NFBKMPQASA-N	534.613	3.616	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864021775	GKWSPGMATJEDSM-GOSISDBHSA-N	526.556	3.987	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(OC(C)C)c(OC)c3)CC2)cc1	1865291824	LIISPEISELUJBI-AREMUKBSSA-N	547.656	3.576	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3sc(CNC(=O)OC(C)(C)C)nc3C)CC2)cc1	1868922518	KITVWFCGUGAGGX-NRFANRHFSA-N	577.773	3.685	10	10	KHCE	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1	2200953200	XIQPOTSQUYBMOG-QFIPXVFZSA-N	571.671	3.544	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296696387	ZZZRRSLLBHPBBF-UHFFFAOYSA-N	519.696	3.936	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	2314476137	JINZDXVURDZMCG-YOSAUDMPSA-N	658.849	3.726	10	10	KHCE	
O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1	2314627692	VRNMVFZZJYANHO-UHFFFAOYSA-N	501.077	3.713	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@H](CC)C(=O)O	2314936519	ZAESRGYCCAEHMW-MRXNPFEDSA-N	531.568	3.782	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3sc(NS(=O)(=O)c4ccc(Cl)cc4)nc3C)CC2)cc1	8978539	DKWQATRKVBXGQK-UHFFFAOYSA-N	507.037	3.877	10	10	KHCE	
CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=N)N12	20205561	QAJAXWZZQHXKIE-AXPJIBDUSA-N	502.599	3.793	10	10	KHCE	
Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(CC(=O)O)C3=O)c3cc(Br)ccc32)cc1	34782192	LHJZZJJHJSVKHO-ISLYRVAYSA-N	503.399	3.960	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C	101397725	QSDXPKWJIUWUDL-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	103751263	PPKZFPXETZHBLZ-SEXPAEGTSA-N	586.508	3.644	10	10	KHCE	
C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N)=NC3=O)c2)C1	213225761	DFNJUGQNABZMRY-FEMWLQECSA-N	507.641	3.889	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007051	FBZYRUFUHQDMPP-QQQUVDROSA-N	504.587	3.990	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864019633	OAAAXLYHZOPQMS-OAQYLSRUSA-N	512.994	3.735	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@@H]2CCCC[C@@H]2C)=C(N)O3)cc1	1864022958	SNTODMJDLSFOII-LYLBAIIYSA-N	504.587	3.896	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865030395	IZUJFGDSYFTBLJ-XMMPIXPASA-N	523.678	3.828	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865032030	UDYCECNYTDDMIX-IUKKYPGJSA-N	518.614	3.948	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865034769	DDQQACASGOGMJJ-WAIKUNEKSA-N	506.578	3.997	10	10	KHCE	
CCCC[C@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867289494	BBFCZHNQPCKUME-NRFANRHFSA-N	543.542	3.876	10	10	KHCE	
CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425792	LZDGEKIKAPAJCU-UHFFFAOYSA-N	512.610	3.821	10	10	KHCE	
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc1C2=O	1873929507	KXQJBUSSSPSWLZ-UHFFFAOYSA-N	502.435	3.782	10	10	KHCE	
COc1ccc2c(c1)N(C)C(=c1sc(=C3C(=O)N(c4ccc(S(=O)(=O)O)cc4Cl)N=C3C)n(-c3ccccc3)c1=O)S2	2297707720	DATHLFOSKCTKRS-UHFFFAOYSA-N	641.152	3.689	10	10	KHCE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	2314842536	YEWUHMHOPXLRTM-HNNXBMFYSA-N	538.962	3.626	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1OC)C(=O)c1ccc(OC)cc1	35962399	MUKJOVJSEKDNDF-VWLOTQADSA-N	504.587	3.509	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3)c2O1	1864015827	WRHZTBAYGTTYRL-QGZVFWFLSA-N	520.895	3.988	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccc(O)c3)CC2)cc1	1865042884	HWLRDWUTLBDOLF-RUZDIDTESA-N	517.630	3.605	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865097971	CCHOBGIFYZWJSD-QFIPXVFZSA-N	508.022	3.688	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865654795	RXHKCTMBQYBYMB-XMMPIXPASA-N	501.631	3.733	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1	1868832101	STVHAFQKCVZSCR-KCHLEUMXSA-N	517.601	3.720	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2296925567	NPVCXGIYXAMHFL-UHFFFAOYSA-N	531.977	3.976	10	10	KHCE	
Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1	2297346315	VEJLYDFVGRLDSN-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)/C=C/c1ccc(O)c(O)c1	56874952	ZKNHGZHOGBDPIA-ZOWBABNGSA-N	631.682	3.592	10	10	KHCE	in-vitro
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1	101397079	OPMIDZMYCWLUHT-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
COc1ccc(NC(=O)CN2CCOCCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C2)cc1	643589488	VFHSPFWFVHWLIH-UHFFFAOYSA-N	531.653	3.972	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865032603	GWIUNBRDIRPDGC-VWLOTQADSA-N	526.593	3.562	10	10	KHCE	
CCCC[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868821895	QFDFMLWNKPONTM-SXOMAYOGSA-N	510.654	3.823	10	10	KHCE	
COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)n2)C[C@@H]1C	1869364351	ZKYNCHBZXVZPIY-ZEQRLZLVSA-N	531.705	3.809	10	10	KHCE	
COCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870684091	LEPOVZIVFFVJBM-UHFFFAOYSA-N	522.602	3.703	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S	2296697845	RGHJIAYNMXUMFJ-UHFFFAOYSA-N	510.641	3.861	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S	1831541	RSXRGDYCYWPQBL-VHEBQXMUSA-N	535.525	3.737	10	10	KHCE	
CCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110521435	CCULYTFIIGDJHS-TYGBLEFESA-N	596.800	3.896	10	10	KHCE	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	1084629587	BQNAWTVWQZHCJY-MTJSOVHGSA-N	503.536	3.630	10	10	KHCE	
COc1ccc(-c2nc3cc(C(=O)N[C@@H](C)C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1	1862087766	XMAWTSVCOKLSMU-IBGZPJMESA-N	513.598	3.714	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@@H]2c1ccc(O)c(O)c1	1864021800	GVVXMAOBOMLFOM-LJQANCHMSA-N	532.519	3.840	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccc(C)cc2)=C(N)O3)cc1	1864023229	WDDJNGVVCSWXEC-XMMPIXPASA-N	526.593	3.869	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865031087	YOTPWVMHHJOZRT-VWLOTQADSA-N	531.657	3.696	10	10	KHCE	
O=C(CN1C(=O)C[C@@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	2041467603	AEAKGFLVKHMFOZ-MRXNPFEDSA-N	519.526	3.673	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(OCC)c(I)c3)C(=O)NC2=S)cc1	2293749581	RVYGXLOWAUGZDG-UHFFFAOYSA-N	522.364	3.920	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCC	2294353287	WPLLXIISCOKKPO-UHFFFAOYSA-N	512.344	3.883	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)CC1	2296943280	ZEGBYANKKFZLLX-UHFFFAOYSA-N	563.705	3.807	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OCC	2297306762	AKWXTKDWDBTREK-UHFFFAOYSA-N	517.376	3.868	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	2297469368	ZWDWFNYRQVXCPI-KRWDZBQOSA-N	533.610	3.703	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccccc1Cl	101395651	JGZDDBPXTGIEMA-NJEQYTMISA-N	547.014	3.969	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2	1864013957	JWOUEWNTMXPEKL-XMMPIXPASA-N	515.614	3.812	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864014489	WDVUUYVPZXJUNJ-QHCPKHFHSA-N	511.667	3.590	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccc(F)cc3F)CC2)cc1	1865420896	AVVLBIPQMIDBBJ-IBGZPJMESA-N	549.500	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4cccc(F)c4)[C@H]3c3ccc[nH]3)CC2)cc1	1865598938	ZIAFOYFEHPSBGG-AREMUKBSSA-N	542.615	3.759	10	10	KHCE	
CCOc1cc(C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc(OCC)c1OCC	1869969816	TVTXVTIDLAQMBP-UHFFFAOYSA-N	524.622	3.599	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1	96460700	PYQUVYSLVCYLMC-SPXSAIPKSA-N	512.613	3.922	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1	101397814	FRHPYQSRQOLAEW-SSXFGNHASA-N	523.379	3.834	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccc(C)c1	104563333	FGTJHRMZAJPRCJ-BVDVPRQSSA-N	526.596	3.623	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864011294	FYQQMBUINLIBGG-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864014796	CPWKJDDNCSZBKC-SGTLLEGYSA-N	502.493	3.985	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864015835	WVROFOASUBKGRH-HXUWFJFHSA-N	545.562	3.763	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029998	ZVDJWSMRDJKQKA-CEYNDMKZSA-N	532.641	3.934	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1[N+](=O)[O-]	1865619404	PWQAIFULHYOSQJ-DEOSSOPVSA-N	546.628	3.816	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800214	RNPZKZFKAOTVKN-IGKIAQTJSA-N	570.760	3.922	10	10	KHCE	
CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868741193	GLWBMFGDOBYNIJ-XMMPIXPASA-N	566.120	3.545	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)cc4)n(-c4ccc(OC)cc4)[nH]3)CC2)cc1	1869969662	HWNXQDQSUIVFHX-UHFFFAOYSA-N	519.005	3.939	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1	2297345482	AVQSNKLIXPUFSL-UHFFFAOYSA-N	542.639	3.943	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1	2297345981	UCALNDBKCZPVHI-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1-c1ccccc1	2297707721	DBOFWPDEZCMWJE-UHFFFAOYSA-N	541.614	3.688	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1	101964875	KOGAQIRJGIBDPS-MOSHPQCFSA-N	598.124	3.851	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)C(=N)N21	104561383	BKLISICXJPSIFV-VUYJYGDXSA-N	532.987	3.579	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864014390	UHFAXGNYWMCXJI-HSZRJFAPSA-N	546.027	3.976	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865030143	DIGCYUKTWKMVRP-VWLOTQADSA-N	547.656	3.709	10	10	KHCE	
CCOC(=O)CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1865034981	INOMABZQIZVDAA-VWLOTQADSA-N	548.640	3.799	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1	1869276836	SVZCPZZUMNXSNV-UHFFFAOYSA-N	573.717	3.752	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(F)cccc4Cl)cn3CCCO)CC2)cc1	1870637006	CSWAJPQLBGQRJA-UHFFFAOYSA-N	516.013	3.933	10	10	KHCE	
CCOc1ccc(Nc2nc(=NCc3ccncc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871529237	OVLHSRTYYBWDMO-UHFFFAOYSA-N	512.618	3.778	10	10	KHCE	
COc1ccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1OC	1873930995	AGDBXIKFNBAQLB-UHFFFAOYSA-N	503.463	3.582	10	10	KHCE	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2)cc1	14022658	ORYMFBFGWVJLBC-KRWDZBQOSA-N	504.564	3.510	10	10	KHCE	
CCOc1ccccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862054399	QUGWSEPNCHKGPD-AREMUKBSSA-N	505.590	3.923	10	10	KHCE	
CCOc1cc(C(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC	1862127616	CFDILAPTPLEBBA-QHCPKHFHSA-N	513.635	3.749	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864008235	GKXCZHUYNLRNHO-XMMPIXPASA-N	546.967	3.985	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011103	ZGOQUAICNPYMMV-DFBJGRDBSA-N	512.566	3.735	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1	1864016044	ZEKKPOZLIHWCMF-APWZRJJASA-N	530.503	3.601	10	10	KHCE	
CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864016134	IBZWQIOGMXIPFN-DEOSSOPVSA-N	541.608	3.971	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865028963	CCIJISAUNLONCI-ZRFNAWPJSA-N	529.641	3.565	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1	1865031481	HUYUNYJKDCNUSY-QHCPKHFHSA-N	511.582	3.679	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c2nccn2C)cc1	1866007334	LVIONMDVPOFSSC-ZCYQVOJMSA-N	535.645	3.719	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	2294133932	NNYAYWCDGBFLAB-UHFFFAOYSA-N	568.174	3.740	10	10	KHCE	
O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1	2297336982	YHICMAPXDLCTJK-UHFFFAOYSA-N	500.248	3.711	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)C(=Cc2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1	2314600199	QOOUGJXIMGNCPZ-OAHLLOKOSA-N	526.752	3.925	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1	2314831386	JWGUULRDBYENAE-UHFFFAOYSA-N	540.486	3.717	10	10	KHCE	
CN1CCCc2cc(CN3C(=O)c4cccc(N5CCN(Cc6ccc7c(c6)OCO7)CC5)c4C3=O)ccc21	14972892	RBLJIPCEDHATTL-UHFFFAOYSA-N	524.621	3.916	10	10	KHCE	
COc1cccc(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5cccc(OC)c5)S4)CC3)=NC2=O)c1	20074343	OWEWEJWZNJMOIM-YHARCJFQSA-N	520.636	3.962	10	10	KHCE	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1OCC	33696402	DUXQTROVEYODAI-CHHVJCJISA-N	516.890	3.916	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1	40939830	XZJCQXKAVXEAAS-RCCKNPSSSA-N	511.625	3.633	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2nc4ccccc4[nH]2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008770	RULBQQAZPUAOFD-AREMUKBSSA-N	536.592	3.830	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864016018	YSBRRYVIKJZLFB-MRXNPFEDSA-N	508.884	3.846	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1	1864021387	BIXWEKANQXCXCA-INIZCTEOSA-N	508.884	3.997	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)c1	2297345765	ADQYWLFOKIQHIG-UHFFFAOYSA-N	542.639	3.645	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)OC	2313561202	YZKPLSZLZAZCGZ-UHFFFAOYSA-N	582.201	3.829	10	10	KHCE	
O=C1C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2314413884	KKXSBJHUKZZSJR-NRFANRHFSA-N	580.757	3.542	10	10	KHCE	
COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1Oc1nc2ccccc2n2nnnc12	59346923	LXYXLOKZEJUIGZ-UYRXBGFRSA-N	507.510	3.552	10	10	KHCE	
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	101013133	HWNROMOBGBZSCS-JWGURIENSA-N	540.692	3.781	10	10	KHCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526139130	JKIPVZATDFPVEZ-RUZDIDTESA-N	521.595	3.643	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008040	AQYKBYQZLZVIPS-RUZDIDTESA-N	512.566	3.790	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864009625	CLVZKAANPYAZNN-OAQYLSRUSA-N	512.994	3.737	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864020781	HFJDDBQPSYJGLL-VWLOTQADSA-N	536.592	3.776	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864021693	FQGGYLCVUPSYMF-QGZVFWFLSA-N	506.456	3.721	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031566	JXMBZCPAHCZBQY-AUSJPIAWSA-N	544.530	3.941	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865032012	SWITWNGDZIPWEY-RUZDIDTESA-N	537.620	3.537	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867791343	OTRHBJYEJRSEPO-WNJJXGMVSA-N	580.730	3.739	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868985700	BFDVKMCUPXEUBB-HSZRJFAPSA-N	516.646	3.740	10	10	KHCE	
Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	1873426215	XBMRTTSCHUFACT-UHFFFAOYSA-N	529.597	3.835	10	10	KHCE	
O=C(O)c1ccc2c(c1)C(=O)O[C@]21c2ccc(O)cc2Oc2c1ccc(O)c2CNC(=O)C(F)(F)F	2069559160	LBZATPLVMCQVCD-QHCPKHFHSA-N	501.369	3.543	10	10	KHCE	
CNc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	2294093666	AZXRSJQBCGGXNT-UHFFFAOYSA-N	587.155	3.912	10	10	KHCE	
CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S	2296711205	BMJQCJCIAYBAAF-UHFFFAOYSA-N	511.625	3.679	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H](Cc4ccccc4)C(=O)O)c4ccccc34)[C@H]21	2297718139	RAMPJIFBDXEBLG-LXFBAYGMSA-N	508.578	3.600	10	10	KHCE	
NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1	2318684291	XZSMONUASISMHD-UHFFFAOYSA-N	501.424	3.680	10	10	KHCE	
C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	110556513	RCSQLSHORHNKCI-HAVVHWLPSA-N	552.703	3.947	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1	110557731	OKRBMZJMFGNJNV-CJLVFECKSA-N	606.773	3.659	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	150398770	QYJBLBHNKDDYNG-XDHOZWIPSA-N	626.938	3.895	10	10	KHCE	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1OC	150630217	XGSWWJUZZDTDOF-WFUJBAORSA-N	652.776	3.839	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1	1871722064	PNCFJMIPPMYPPH-VWLOTQADSA-N	519.650	3.750	10	10	KHCE	
COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1OC	1873166055	AFEUGJBRLOVCSI-UHFFFAOYSA-N	530.669	3.975	10	10	KHCE	
COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873166661	VIBMOTLYWZRZII-UHFFFAOYSA-N	509.610	3.981	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425568	GEIJDXLCEBSTAP-UHFFFAOYSA-N	500.599	3.627	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425817	NCYPIEHDTSJMBZ-UHFFFAOYSA-N	569.706	3.845	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)NC2=S)cc1	2294259135	LHDFQBXXSIPTMX-UHFFFAOYSA-N	518.547	3.812	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864011755	XRKMHAZABLYLTM-VWLOTQADSA-N	522.565	3.522	10	10	KHCE	
NC1=C(C(=O)NCc2ccncc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864014740	BETHIXFRNRHFBE-FQEVSTJZSA-N	537.498	3.767	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3c(OC)ccc4ccccc34)CC2)cc1	1865217620	UYQQTTWVNXMKOY-HHHXNRCGSA-N	539.636	3.942	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865343737	JRRLKTFZPVERBM-QFIPXVFZSA-N	507.660	3.887	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868656328	PROBCAFAMRCBMY-LJAQVGFWSA-N	520.630	3.843	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)C(C)C)CC2)cc1	1868674269	XSNPZAWBUQFREP-NSOVKSMOSA-N	500.643	3.906	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(CCc3cccs3)C2=O)cc1	1873166822	IQALPBUWTAPQKO-UHFFFAOYSA-N	560.701	3.915	10	10	KHCE	
CCCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873574141	RJYODQKKCXOWKI-UHFFFAOYSA-N	507.683	3.638	10	10	KHCE	
Cc1ccc(C(=O)NC(=Cc2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc1	2297359064	NOGGRTKRSYGTED-UHFFFAOYSA-N	528.634	3.964	10	10	KHCE	
CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2314413949	MBKMJIPDXDJXGY-UHFFFAOYSA-N	538.651	3.972	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc(F)cc1	20206631	OWQQJCHLSMVAJK-MPZQNCSBSA-N	516.576	3.815	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCCC(=O)O	59815508	UDWSOZCTWYPXST-GZTJUZNOSA-N	537.413	3.857	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1	101398908	PQINDLGRYDTLCP-BJRGRWSZSA-N	528.612	3.554	10	10	KHCE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S	101965211	VCLYNIHNROEYHZ-CJMVGXJBSA-N	534.999	3.877	10	10	KHCE	
CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	137706678	LIQIFJIIOIHAJM-LIEIOVMRSA-N	532.688	3.508	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1	1864015213	MLMGQPQFKMTVII-SNULIRMMSA-N	504.509	3.630	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015660	UUQAJUQCTAZFLN-IBGZPJMESA-N	532.519	3.517	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864016799	XQBGOUQKKIFATP-XMMPIXPASA-N	526.593	3.857	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864022037	JGWXMVOQHPPBFL-KZULUSFZSA-N	518.492	3.914	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868644492	VEYYEXDOFBRXGM-MUUNZHRXSA-N	508.594	3.974	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1	1868688547	NJOMSCJQBXPYNL-UIOOFZCWSA-N	553.725	3.937	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)c3ccco3)CC2)cc1	38619770	JWEXVJOUUBBITF-JOCHJYFZSA-N	500.958	3.699	10	10	KHCE	
O=C1/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	100885684	KKXSBJHUKZZSJR-RZMOPNSYSA-N	580.757	3.542	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C[C@@H](C)O1	1554268795	KZXUMNHZRDCHPZ-YOGNZGIYSA-N	634.784	3.505	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864010028	NLMMLRJIEZRVPL-HSZRJFAPSA-N	535.963	3.850	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865026288	LTCXWBWAQNDGJH-GBXCKJPGSA-N	539.032	3.763	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1865031954	SBGPYRJRDLDIOC-GOSISDBHSA-N	518.492	3.874	10	10	KHCE	
CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867571795	VIADSMBJNBJREZ-ISCCLHIJSA-N	547.700	3.609	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1	1871689815	RLSUARRSFYIWBZ-UHFFFAOYSA-N	512.618	3.696	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1	2297346182	JXCAJRFIFBKHRI-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864007588	PYAYJIHYYDHOTE-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864014749	BHKUWQCHCOYUDI-QGZVFWFLSA-N	506.456	3.720	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865030692	OUKQMVXEBZCBCG-FDDCHVKYSA-N	539.032	3.626	10	10	KHCE	
CCCN(CCC)c1cccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	1868605162	USVQWEJSZANYIP-VWLOTQADSA-N	527.735	3.917	10	10	KHCE	
COc1ccc(CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(OC)cc2)cc1	1869970021	LVEGRBXRLJWHEP-UHFFFAOYSA-N	528.613	3.801	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)cc3)ncnc21	1875224468	UANNXQAGRFJFSC-UHFFFAOYSA-N	544.656	3.712	10	10	KHCE	
COc1cccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2OC)c1	2296608254	GSLSBGJMLKYXJO-UHFFFAOYSA-N	506.511	3.807	10	10	KHCE	
Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c(C)c1	2297469622	KGOSCXZBOUQMCM-UHFFFAOYSA-N	504.616	3.579	10	10	KHCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	2314832103	ZOZUCRRXLMLAQV-UHFFFAOYSA-N	501.655	3.900	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)[C@H](c2ccc(F)cc2)C1	101024058	FNILHMXHYMBRJN-MHZLTWQESA-N	552.050	3.970	10	10	KHCE	
CCc1cccc2c(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCCC3)c12	101378686	IGPMGACUDKTMKA-OVVQPSECSA-N	576.719	3.754	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	103702478	WXZBLXANSJSTAK-PTGBLXJZSA-N	549.722	3.597	10	10	KHCE	
C/C(NCc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	205951935	DNEMCDVZUAOKIT-CJLVFECKSA-N	503.609	3.758	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H](C)O1	256319291	RDYXRPGVNWOQLW-KJILXMEYSA-N	765.768	3.581	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@H]2C(=O)O)sc(C)c1-c1ccc(Br)cc1	1860759089	SVIQHGSYCCVJLX-AWEZNQCLSA-N	509.378	3.677	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864015035	IKVRSPLVPHZJSU-SFHVURJKSA-N	502.493	3.684	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4cccc(Cl)n4)n(-c4ccccc4Cl)[nH]3)CC2)cc1	1869969627	RUVPFIWYOJMGPO-UHFFFAOYSA-N	524.412	3.979	10	10	KHCE	
O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	2296056463	NSENLBKHVGWLHW-IBGZPJMESA-N	504.593	3.834	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=N)N21	2297345337	NXMABFSOTUTAIY-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H]1c1cccs1	101976888	CQNHJOJAFZYAQQ-WUFINQPMSA-N	548.709	3.622	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	211943829	CFCYLODNBQPNEQ-FSFURUPLSA-N	502.614	3.704	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCOc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008134	CVRUCMFGURCLPL-AREMUKBSSA-N	526.593	3.849	10	10	KHCE	
COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864009390	GLVVLESCPVCFFZ-OWJWWREXSA-N	513.554	3.568	10	10	KHCE	
CSCC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866709037	XLHDAHYVEKOXIC-UKILVPOCSA-N	515.635	3.941	10	10	KHCE	
CC[C@](C)(NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644358	DWESJSAZSVRJAM-WNJJXGMVSA-N	507.679	3.953	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867693829	SQBSOSBGTIQPBE-IZEXYCQBSA-N	634.243	3.669	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1	1873169974	JUZSTFJGFPRXSJ-UHFFFAOYSA-N	519.045	3.949	10	10	KHCE	
Cc1ccc(Sc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314401021	VDLQQQKRMAEURF-HNNXBMFYSA-N	529.690	3.542	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1	2314476432	OKRBMZJMFGNJNV-UHFFFAOYSA-N	606.773	3.659	10	10	KHCE	
O=C1/C(=C\c2ccccc2O)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O	100455735	BYYGUSAQKWABNU-HMMYKYKNSA-N	550.570	3.873	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101911357	HLVSCNFAKHWYRA-LJSCJVIFSA-N	548.683	3.959	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCO)[C@H]3c2ccc(O)c(O)c2)cc1	1864015672	CQHFBFHIOVCUFO-DEOSSOPVSA-N	526.593	3.511	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@@H]2c1ccc(O)c(O)c1	1864022728	QDMWQEWXOHAEDY-HXUWFJFHSA-N	541.530	3.878	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864023134	USIRBFPRVREQFD-GOSISDBHSA-N	502.493	3.777	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865026937	UAGOQWNOORTISL-XMMPIXPASA-N	538.048	3.552	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865034594	ABPYQPACLGKNDX-HJPURHCSSA-N	506.578	3.997	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035113	LOFCUBHAFFPYQA-YKSBVNFPSA-N	536.604	3.502	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1	1867952569	MYWTUQGNNOMXNM-UHFFFAOYSA-N	523.081	3.981	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(Cc3ccccc3F)C2=O)cc1	1873164701	OAKUXXQYUXSVNY-UHFFFAOYSA-N	558.635	3.951	10	10	KHCE	
COc1cc([N+](=O)[O-])ccc1-n1cccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2297346699	UEHAQLUIBATOER-UHFFFAOYSA-N	511.288	3.823	10	10	KHCE	
Cc1ccc(N2NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)cc1C	2297617290	QDENVAJUCAHFFN-UHFFFAOYSA-N	560.129	3.680	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(I)c1O	2313548982	KPCJPYAOTZAKIB-UHFFFAOYSA-N	514.275	3.825	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cc(C)ccc1C	104559257	OEHWJFQGNHJHTD-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	252666654	CDNBMOAUSBKNKY-SANMLTNESA-N	533.650	3.570	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864018276	HLYXNHSBVNUZQO-RUZDIDTESA-N	549.647	3.731	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCC[C@@H]2CO)[C@H]3c2ccc(O)c(O)c2)cc1	1865031700	MJBCLLYAVNEGKW-RDGATRHJSA-N	538.604	3.937	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865034597	ABPYQPACLGKNDX-WAIKUNEKSA-N	506.578	3.997	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(OC)c(O)c1	1865144239	WYOUWXIJMYMZAU-VWLOTQADSA-N	547.656	3.622	10	10	KHCE	
CC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866626141	CQMUXGIHNWJICV-QHCPKHFHSA-N	545.617	3.539	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1	1867472449	GRSYLVVCUQENCA-LJAQVGFWSA-N	596.732	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1	1868760955	FSRNBHXAVVUUTH-VWLOTQADSA-N	521.687	3.698	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	2296705153	XDAZRQCRZULSGP-UHFFFAOYSA-N	512.060	3.896	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2313548119	MDGRSUMGCILJIK-UHFFFAOYSA-N	555.301	3.734	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC	59336713	NCYTUTTXXUKDIW-NVNXTCNLSA-N	506.296	3.592	10	10	KHCE	
COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1	101429206	LPFCQAHZGVXFJY-KMRXNPHXSA-N	545.709	3.965	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCSc4ccccc4)c(OC)c3)C(=N)N21	104561126	GNMNUUZAHRXMTA-ARFHJRQPSA-N	530.653	3.878	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864010007	HUICRWZIAFGSLD-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012787	JBVWLPUWSREUND-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864016017	YSBRRYVIKJZLFB-INIZCTEOSA-N	508.884	3.846	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865036642	HYOMFBCYNXLLSH-DEOSSOPVSA-N	512.566	3.553	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S	2296545341	IQDLYMGTJDRFMM-UHFFFAOYSA-N	504.678	3.858	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1	38619868	FEHAZGRPKPDSNG-QFIPXVFZSA-N	516.520	3.925	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1C	59678273	JOWCSZHVVZWUQT-UUYOSTAYSA-N	501.495	3.774	10	10	KHCE	
Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	105638793	YDLUBHIEPLRNCT-GZQZNAIASA-N	529.690	3.542	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1	210678799	DQBYWACIGBJDFS-HYARGMPZSA-N	539.660	3.753	10	10	KHCE	
O=S(=O)(O)c1ccc2c(/N=N/c3c(O)c(S(=O)(=O)O)cc4ccccc34)c(O)c(S(=O)(=O)O)cc2c1	1073242934	SGOBRKTYARKSJM-QURGRASLSA-N	554.536	3.560	10	10	KHCE	
CCOc1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	1862050741	LJYNTDKWVBQXEE-HHHXNRCGSA-N	505.590	3.923	10	10	KHCE	
NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864015358	PNEZPDHUHZYFHJ-IBGZPJMESA-N	526.471	3.965	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865030630	NIJOPLLKKCGERR-HSZRJFAPSA-N	510.550	3.504	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867318234	DWHXKMARGPBTTC-UIOOFZCWSA-N	512.720	3.956	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1	1871683496	XSPPXBADUYTJLD-UHFFFAOYSA-N	517.584	3.993	10	10	KHCE	
CNC(=O)c1ccccc1N=c1[nH]c(Nc2ccc(N3CC[C@H](NC)C3)cc2OCCF)ncc1Cl	1911530934	LIQZKLKAIKZIJB-INIZCTEOSA-N	514.005	3.545	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(NCCCN4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	2296706065	SFIAJXNVHSULPM-UHFFFAOYSA-N	565.721	3.547	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccc(C)cc1	2297345319	MJMXVTMZGMPJTK-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C[C@H](C)O1	2314476219	KZXUMNHZRDCHPZ-SFTDATJTSA-N	634.784	3.505	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	2314541594	OKIQLBHECHEIGX-INIZCTEOSA-N	521.016	3.848	10	10	KHCE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778162	DCSBLAGHKAPPCV-IMRQLAEWSA-N	621.716	3.767	10	10	KHCE	
CCCCN1C(=O)/C(=C\c2c(N3CCC(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	35145119	WJXILHHUTXUUAV-XDJHFCHBSA-N	514.673	3.784	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)c1	1864012314	XIRRJXMQWPQUOA-RUZDIDTESA-N	520.630	3.894	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864019567	MOGROGYEJKYXCA-SANMLTNESA-N	545.684	3.900	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3cccnc3)CC2)cc1	1865387546	DUEIQDZFJVKSHP-HHHXNRCGSA-N	536.636	3.687	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)N2CCCCC2)cc1	1867652419	WYRBBZWAOXHTLR-IOWSJCHKSA-N	671.820	3.808	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1	1871664883	XRKAWSYFBOZKPD-UHFFFAOYSA-N	511.630	3.723	10	10	KHCE	
CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873650574	QABLMFNAJNVWPN-UHFFFAOYSA-N	501.547	3.947	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1	2314831362	JJHDDEWVJRVTLJ-UHFFFAOYSA-N	534.641	3.643	10	10	KHCE	
CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	39991335	QXPDTSAYUMMROH-HEXNSGTLSA-N	518.705	3.680	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864008109	CAJHHSPUXHQRJO-XMMPIXPASA-N	506.603	3.918	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865031178	ATOAQSOTSJLQJE-DEOSSOPVSA-N	523.593	3.542	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)CC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867585242	QLGMKXOLRMICCL-YNOBPPCASA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1	1868779187	FGAFKJPIMBIRPJ-HSZRJFAPSA-N	523.703	3.742	10	10	KHCE	
CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870721627	NCPABJKYLIUPCJ-UHFFFAOYSA-N	504.631	3.833	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H]5CCCO5)ncnc4n3Cc3ccco3)CC2)cc1	1875232962	HOXYMVHZWUEXSD-JOCHJYFZSA-N	516.602	3.635	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1	2314399279	GZRCUCJAIOVIIM-UHFFFAOYSA-N	563.705	3.725	10	10	KHCE	
CC[C@@H](C(=O)OCc1ccccc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326944833	MOPKRECFULZFKA-KRWDZBQOSA-N	510.593	3.601	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCC(C(N)=O)CC3)nc12	1890751	AMXVQRMBSWAJAS-DEDYPNTBSA-N	554.097	3.759	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1	39983111	SHJBJYYLZWZFHY-QZQOTICOSA-N	509.609	3.828	10	10	KHCE	
O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O	100468667	PPDNRDQHUFBCHN-XMHGGMMESA-N	524.532	3.761	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	252671572	NPRGGSHQANOTBO-MHZLTWQESA-N	565.692	3.757	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1	254514900	VYRIJSTUVZANHV-VWLOTQADSA-N	505.640	3.653	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864018505	MJFFCXFTHRMCBD-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(CO)CC2)=C(N)O3)cc1	1865032714	JABDMMOATXRNPC-DEOSSOPVSA-N	548.640	3.551	10	10	KHCE	
CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)sc2c1CCC2	1865971827	WDXSNYSKABZTOU-FGZHOGPDSA-N	551.573	3.888	10	10	KHCE	
CCCC[C@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867284776	PQTLIBOBYFUEOT-SRDVKXRDSA-N	544.696	3.882	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@@]3(OC(=O)c4c(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cccc43)[C@@H]2C=C1	2069787986	RJJVBDLSWSRSOI-RYKAKMPNSA-N	632.718	3.649	10	10	KHCE	
CCN(CC)c1ccc(C=C2SC(=O)N(CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	2297512149	VIJRKWAYHPZQSF-HXUWFJFHSA-N	506.628	3.738	10	10	KHCE	
CCOc1cc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1OC(C)=O	2297577889	HKPSJEHXWQLZGT-UHFFFAOYSA-N	524.165	3.997	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1O	100320923	FKWZGSDACBUUGP-XGICHPGQSA-N	512.179	3.757	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1	101399528	RUBOGVHFWXOFMF-OLKKAHHKSA-N	532.625	3.623	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864017014	CKEKDOKFJPHQHY-RUZDIDTESA-N	540.576	3.894	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018774	CHESXYUMFXISIQ-GBXCKJPGSA-N	518.614	3.512	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1OC	33445698	KRUXNPWTNJFUMV-LTGZKZEYSA-N	522.652	3.756	10	10	KHCE	
Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	33795846	AQARDPAICBOVMR-XDHOZWIPSA-N	513.044	3.894	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCOc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1	1864008135	CVRUCMFGURCLPL-SANMLTNESA-N	526.593	3.849	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]3c2ccc(O)c(O)c2)c1	1864016088	HLISOHKNVGSAQZ-CLOONOSVSA-N	540.620	3.818	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865026219	KEXFGGWEVNRYNB-XMMPIXPASA-N	538.048	3.552	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CC(=O)OCC)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1865034854	GINMBOIPWRZLSX-DEOSSOPVSA-N	534.613	3.553	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1	1871718250	ADJQZBIYAUYGAC-UHFFFAOYSA-N	501.566	3.829	10	10	KHCE	
COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873165807	VWJFKKSFMYXYFW-UHFFFAOYSA-N	523.593	3.716	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	2297346219	NHIYGZFCWPYKLO-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	2314413555	AQARDPAICBOVMR-UHFFFAOYSA-N	513.044	3.894	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864009914	NGUJZULCIYMQEU-HSZRJFAPSA-N	520.586	3.905	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867205564	KNZYDPGXOLZAGZ-NRFANRHFSA-N	509.562	3.863	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868625716	AQTUHARQJMXANK-RUZDIDTESA-N	577.147	3.916	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3sc(NC(C)=O)nc3-c3cccs3)C(C)C)CC2)cc1	1868630217	ZHJPTSUMKOMUAJ-DEOSSOPVSA-N	555.726	3.871	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1	2297468272	RHQMZHPJVXZOKH-UHFFFAOYSA-N	513.535	3.985	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2314476511	PUYBDDMTROTDPF-JOCHJYFZSA-N	614.796	3.712	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(cnn5-c5ccc(C)c(C)c5)c(=O)n43)CC2)cc1	100817600	OOHXDPZEQINYIR-JOCHJYFZSA-N	530.654	3.593	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1	102474180	QWQBVFBPDFLFNK-BTKQHFLTSA-N	533.610	3.785	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CS(=O)(=O)Cc3ccccc3Cl)N4)CC2)cc1	102803580	COESFDRNARIWAK-AREMUKBSSA-N	569.083	3.659	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	208324552	DNENXYJVLHMKDB-LFIBNONCSA-N	521.623	3.880	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864017560	OYPUXMVIDZFDGR-RUZDIDTESA-N	542.592	3.874	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1	1864021373	BGPYWGJONXKEOM-QGZVFWFLSA-N	506.456	3.526	10	10	KHCE	
Cc1cc(C)cc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	2297345950	QMMQMXLYGBWTPE-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@H](CC)C(=O)O	2314933687	CIHZPJBVEMFDNN-MRXNPFEDSA-N	531.568	3.782	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CSc3nc4[nH]ncc4c(=O)n3-c3cccc4ccccc34)CC2)cc1	17357195	FEOXKXGGURBNAJ-UHFFFAOYSA-N	526.622	3.712	10	10	KHCE	
O=C1/C(=C\c2ccc(O)cc2)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O	100462462	NGLGHTZPNXDRCH-RCCKNPSSSA-N	550.570	3.873	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	102582001	TVNNQPIHKDVTGK-UYSKRRQASA-N	547.706	3.710	10	10	KHCE	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1C[C@@H]1CCCO1	102825387	YRWUVKDXYLFERL-XQGNUGGCSA-N	596.756	3.940	10	10	KHCE	
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1	103638511	WPZWOTQKHNWHIM-LDADJPATSA-N	519.457	3.729	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(Cl)cc1	104558904	ONMXYUABDOHMQR-NFBUKIRSSA-N	549.030	3.818	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	207325113	XJIFGCLTXIZACB-PYJSORCASA-N	520.723	3.782	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	1084060492	KYBNYJQILXRZMT-JMIUGGIZSA-N	507.886	3.810	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN([C@@H]4NC(=O)/C(=C/c5ccc(C)cc5)S4)CC3)C2=O)cc1	1616083776	GPTBQPHHZYEUMK-SPPMWEFGSA-N	594.784	3.927	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864008709	QFUWSNWXWGPCCV-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864012084	QPAMEUZRYXFQQU-JOCHJYFZSA-N	506.559	3.863	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865031035	XODZLGWTWRTYQZ-CPJSRVTESA-N	532.641	3.529	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1	1871647436	VUTZRKLQCRMTEO-UHFFFAOYSA-N	512.058	3.675	10	10	KHCE	
CC(C)N1C(=O)SC(=Cc2cc(I)c(OCC(=O)O)c(I)c2)C1=O	2294010970	VKRKMDPYUUZLNW-UHFFFAOYSA-N	573.146	3.804	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2297312650	JNVHZOUZCIVGOR-UHFFFAOYSA-N	521.668	3.559	10	10	KHCE	
COc1ccc(C(=O)NC(=Cc2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc1	2297359040	JYKOHNQZMPJCOU-UHFFFAOYSA-N	544.633	3.665	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1	2297580208	BVKLREPTKLZSJP-FGZHOGPDSA-N	553.706	3.539	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	2313540770	SQNBRUYTYSMBFZ-UHFFFAOYSA-N	553.413	3.948	10	10	KHCE	
O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	101909527	KRIBWZGQLBRCRB-IZQLPPHKSA-N	565.764	3.749	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@H]4[C@H](C3=O)[C@](Cc3c[nH]c5ccccc35)(C(=O)O)N[C@H]4c3nccs3)ccc21	102464320	MFQALWQYXQGCIO-GLBCCIBASA-N	616.655	3.912	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccc(C)cc1	104557794	IKVHKUIFBKGRDY-SSOZYACPSA-N	549.030	3.736	10	10	KHCE	
CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	137728907	YOZIJFNAOREREF-HEXNSGTLSA-N	546.715	3.898	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864008432	KEZZJFAEBFFQCF-JOCHJYFZSA-N	512.994	3.871	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011746	KWWLUFAMBWEWSK-JOCHJYFZSA-N	512.994	3.540	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864018072	BXRMYJDPOSVMRM-JOCHJYFZSA-N	527.021	3.532	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865602486	JOIVUSKICVASTI-HSZRJFAPSA-N	504.635	3.626	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cccnc1	1867281408	OVNSURUHPBZFPK-KAYWLYCHSA-N	518.573	3.956	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1	1868980425	DOYASBLPQIKYBR-NDEPHWFRSA-N	556.692	3.861	10	10	KHCE	
COc1c(C=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	2297639057	WFPXCOGZJHXMJY-UHFFFAOYSA-N	573.577	3.582	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S	2314415077	WRLZPLWYQHTGOH-GOSISDBHSA-N	518.705	3.841	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(cnn5-c5ccc(C)cc5C)c(=O)n43)CC2)cc1	100817786	UNQTZVSNIQTJPN-NRFANRHFSA-N	530.654	3.593	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)c2)C[C@@H](C)O1	101013838	UJRJQHPJFGECKN-GNUDVLMQSA-N	593.731	3.640	10	10	KHCE	
CCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	164063694	PVWMGIHKYGVUBU-DHDCSXOGSA-N	618.165	3.970	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084362683	UKOLQVJGMHCRQI-NRFANRHFSA-N	715.351	3.779	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccc(F)cc2)=C(N)O3)cc1	1864022332	LVKHJOBNZOPWPW-HSZRJFAPSA-N	530.556	3.700	10	10	KHCE	
C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C1	1865034066	OEOVAJLVVLFJJX-ACJLOTCBSA-N	515.492	3.650	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1	1868963782	DPZTUQXBYPITPH-QHCPKHFHSA-N	524.643	3.559	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	1874643104	SEKAQWHEHIFEQT-SANMLTNESA-N	527.581	3.775	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O	2314413901	LIGJOQZQDNMHAP-UHFFFAOYSA-N	510.641	3.861	10	10	KHCE	
O=C1/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1Cl	2672266	CGNPMTXKLMAARE-HLAUDOPJSA-N	505.042	3.645	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	100849819	AIIYYEQKUIEHBS-DTBMRADHSA-N	549.678	3.935	10	10	KHCE	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1Cl	102482901	LGBZFSKNQFOORW-JLMYGFKKSA-N	534.012	3.936	10	10	KHCE	
CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O	110524726	ICNUVEACVZRLAB-UQQQWYQISA-N	581.764	3.651	10	10	KHCE	
CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C1=O	1084045084	OLGOQJKRJSNZAS-NVMNQCDNSA-N	526.343	3.693	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H](CO)C2)=C(N)O3)cc1	1865033138	SQFCVKQCDWCZGI-HOYKHHGWSA-N	548.640	3.551	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035060	KGWVHUBVLKZLCQ-NTKDMRAZSA-N	536.604	3.502	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865053530	PPJPVSZZGDUEGZ-RUZDIDTESA-N	531.657	3.859	10	10	KHCE	
CC(C)(NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866900244	SJMZWWZDVCTFSV-UHFFFAOYSA-N	564.642	3.668	10	10	KHCE	
[N-]=[N+]=NCCCCCCOCCOCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	2080392026	JUXLQOHNAZVQSN-HSZRJFAPSA-N	600.673	3.507	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC	2294133946	OJGLXGFAPBTVKA-UHFFFAOYSA-N	506.296	3.592	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	2297461453	WXZBLXANSJSTAK-UHFFFAOYSA-N	549.722	3.597	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)CC1	2314476999	ZMCILXQJSPAHIZ-RUZDIDTESA-N	700.886	3.891	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1	2314759674	GAIIRUGTDXJLIK-UHFFFAOYSA-N	557.488	3.915	10	10	KHCE	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC	59135240	JWNHDWILLBSKQM-AUWJEWJLSA-N	507.268	3.655	10	10	KHCE	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1C[C@@H]1CCCO1	101013162	SDXOKPVMZYYAKU-XQGNUGGCSA-N	596.756	3.940	10	10	KHCE	
Cc1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4\C(=O)Nc5ccccc54)S3)s2)cc1	206384599	SODWZUMHCGDCRV-WUKNDPDISA-N	508.610	3.982	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864012410	ZILAIWCHRUCNKR-DEOSSOPVSA-N	518.520	3.940	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1	1864016852	YQKHQKBUEZGIBT-SIKLNZKXSA-N	504.587	3.607	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865032776	KOXVQYLSQGNEQP-QMHKHESXSA-N	504.587	3.808	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1	1871495449	UDBXCJWFQFHFAW-UHFFFAOYSA-N	510.646	3.925	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1	1871670376	BONUGSILDFCGAA-UHFFFAOYSA-N	511.630	3.729	10	10	KHCE	
O=C1C(=Cc2ccccc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1	2314603336	KXVMUHBANABGMI-INIZCTEOSA-N	539.075	3.896	10	10	KHCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCN1CCN(C(=S)NCCc2ccccc2)CC1	20494835	NTRQYFJNBKDTPV-DAFNUICNSA-N	522.694	3.537	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1	101969312	XDDVLGRTBKBWQY-RGEXLXHISA-N	534.641	3.643	10	10	KHCE	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)cc2)nn1	102579610	HPFQRPDJASMGQF-XMHGGMMESA-N	573.653	3.655	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	254808609	TYKFDBDENKKCGJ-SANMLTNESA-N	557.628	3.823	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OCC)cc1)=C(N)O2	1864014460	VMFYKXAFEQDMHD-HSZRJFAPSA-N	534.613	3.845	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864018600	OXWCHBGPFGUASM-JOCHJYFZSA-N	527.021	3.796	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2	1864019284	XRGRUBLBCSUQQQ-FYSMJZIKSA-N	527.581	3.822	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865029611	RILQNIISVRHJGC-QHCPKHFHSA-N	538.048	3.748	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(OC)c1OC	1865433334	UNSKGWWJJHXDDO-RUZDIDTESA-N	547.656	3.671	10	10	KHCE	
CSCC[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866709038	XLHDAHYVEKOXIC-ZCYQVOJMSA-N	515.635	3.941	10	10	KHCE	
COc1cccc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867386590	ICBRNEVHKIECIF-CLJLJLNGSA-N	512.720	3.956	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867801212	IRHXOQOINQQSER-UKILVPOCSA-N	555.676	3.920	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3sc(CNC(=O)OC(C)(C)C)nc3C)C(C)C)CC2)cc1	1868922357	GSTJSIFUOJDLEW-QFIPXVFZSA-N	545.706	3.588	10	10	KHCE	
CN1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O	2297461581	JWNCJDATFAMCHR-UHFFFAOYSA-N	541.139	3.724	10	10	KHCE	
COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	2297578870	CKEYGXSNCUOZMS-IBGZPJMESA-N	511.650	3.936	10	10	KHCE	
CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990217	GTADZJLEBLZYTQ-RGEXLXHISA-N	502.662	3.885	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc(F)cc1	96460348	OWQQJCHLSMVAJK-BVDVPRQSSA-N	516.576	3.815	10	10	KHCE	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1	101428452	UYFZRGVBPHFSNM-LYZGTLIUSA-N	566.724	3.501	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1	150381765	HGBZBLPEFVMINN-JBPPEVFRSA-N	772.638	3.522	10	10	KHCE	
CO[C@@H]1O[C@H]([C@@H](O)N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	169617952	DPFOYSKUEJRSRC-DOHNIDBKSA-N	547.520	3.663	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)c1	1864011338	GZTIQKXCAXCDLA-DEOSSOPVSA-N	500.555	3.872	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864012654	FYCAYPBCXBMXNO-DEOSSOPVSA-N	546.603	3.532	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864017178	HFKJYNWRQBXGMU-HSZRJFAPSA-N	506.603	3.780	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865029006	DARGWCQKWFECGW-AVRDEDQJSA-N	525.005	3.567	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N2CCCCC2)cc1	1867739087	OJRXSHJYOAUGFO-MHZLTWQESA-N	590.190	3.654	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1	1868832102	STVHAFQKCVZSCR-PKTNWEFCSA-N	517.601	3.720	10	10	KHCE	
CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1	1873425771	LBPHIJHDUJYDHK-UHFFFAOYSA-N	512.610	3.821	10	10	KHCE	
CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874017810	XFNFSRHWLJFQLA-SANMLTNESA-N	510.594	3.957	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	2293276346	LNNOOLWZGLVCLP-UHFFFAOYSA-N	529.556	3.790	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C2=O)cc1	2293582713	BSLXMSLUCVILPR-UHFFFAOYSA-N	503.467	3.728	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	2294093734	JUNFRSFJSYNDNS-UHFFFAOYSA-N	552.337	3.919	10	10	KHCE	
O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	2314476201	KPHMVXIINRDJNV-UHFFFAOYSA-N	598.728	3.626	10	10	KHCE	
CCc1sc(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)c(C(=O)OC)c1-c1ccc(Br)cc1	1860763444	GBVRVDDSNGDLST-SHTZXODSSA-N	509.422	3.885	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2nccn2C)cc1	1866024560	RTKHOASHIBGZMC-UIOOFZCWSA-N	507.594	3.599	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3CCc3cnc[nH]3)CC2)cc1	1870614185	AMWJXYSMQIWXHO-UHFFFAOYSA-N	517.605	3.863	10	10	KHCE	
CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874017734	USRUXFGIPJAHPE-QFIPXVFZSA-N	510.550	3.984	10	10	KHCE	
CCOc1cccc(N2C(=O)C(=Cc3cc(I)cc(I)c3O)C(=O)NC2=S)c1	2294216452	CNTMCESDMASYHY-UHFFFAOYSA-N	620.206	3.831	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC	2313559672	KRDKLPJVKIMTIY-UHFFFAOYSA-N	557.138	3.737	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC	2314754555	VNCZHHOYOXNTJY-UHFFFAOYSA-N	508.662	3.877	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1	20208339	QEUYTRTXPGTEOT-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1	101429210	LPFCQAHZGVXFJY-PIKZIKFNSA-N	545.709	3.965	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)ccc1C(=O)OC	205949001	KXMSTJLSHBCMLO-FYJGNVAPSA-N	522.539	3.521	10	10	KHCE	
CCC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	254593048	JCDCIZUEKPGDHF-HRBHWIJPSA-N	557.930	3.676	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865030444	JYNKMWLWLBNJKA-UAVUOLJFSA-N	536.604	3.765	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437350	FSLONKUOABIOLI-WUFINQPMSA-N	593.794	3.952	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCN(Cc3ccccn3)C(=O)OC(C)(C)C)C(C)C)CC2)cc1	1868926411	RGTXXZGKKDRTOV-HHHXNRCGSA-N	553.704	3.707	10	10	KHCE	
CC[C@H](CC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC	1868965827	YJDWYFHBHZNCQQ-GOSISDBHSA-N	518.452	3.815	10	10	KHCE	
CCc1ccc(COc2cn(CCN(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1	1870467778	ZZQDGWKQOJCQRZ-UHFFFAOYSA-N	504.675	3.882	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873170833	SMMXMMSKYYZYBC-UHFFFAOYSA-N	519.045	3.949	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2296138895	AMXVQRMBSWAJAS-UHFFFAOYSA-N	554.097	3.759	10	10	KHCE	
COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCC(C)C	2297457987	QDLKAMOMZGNUTK-UHFFFAOYSA-N	522.421	3.946	10	10	KHCE	
CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1	2313564948	HTNQOOIBVFWVGW-UHFFFAOYSA-N	533.562	3.721	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cccs1	2996960	BCAZORPEYTZHDK-SQWSFHKJSA-N	532.485	3.688	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(Cl)ccc3OC)c3ccco3)CC2)cc1	38619433	KJGGJTJEFMFTTM-NRFANRHFSA-N	506.024	3.792	10	10	KHCE	
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	101013153	SQJCKKUDCNZSKL-MOHJPFBDSA-N	584.745	3.798	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccc(C)c1	101397909	XILCGMOLRADNMF-BRKMNUETSA-N	547.014	3.888	10	10	KHCE	
Cc1ccccc1N1C(=O)/C(=C\c2cc(I)cc(I)c2O)C(=O)NC1=S	101738425	JGISMIYEJHSJJH-GHXNOFRVSA-N	590.180	3.741	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N	110519221	GSNOKXSRIIIDDA-ULJHMMPZSA-N	579.748	3.734	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	207327566	LVDOLONIHDFFQD-ORTNRGLGSA-N	518.682	3.785	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864008742	RCKZBXUCGSXFDG-AREMUKBSSA-N	526.593	3.979	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864012222	UUEXQPMLYQYHCE-RUZDIDTESA-N	530.556	3.810	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(O)cc1	1865120411	CGSLCFQBZOMVMI-HXUWFJFHSA-N	543.546	3.679	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867798771	WOVAXKVTQWRAML-RPLLCQBOSA-N	538.693	3.969	10	10	KHCE	
CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3C[C@@H](C)C[C@H](C)C3)[nH]c(N3C[C@@H](C)C[C@@H](C)C3)n2)c1	1871737190	WNEPZXFNPBNXMR-CADBVGFASA-N	502.685	3.501	10	10	KHCE	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O	2314506419	CJSRJKINIYPWCI-UHFFFAOYSA-N	511.581	3.870	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314600117	HLGDRNAFKWOPKC-INIZCTEOSA-N	524.711	3.847	10	10	KHCE	
COc1ccc(CNc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)cc1	40066640	CRQSQSYXJKQORA-UTYYKHSJSA-N	510.641	3.566	10	10	KHCE	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1-c1ccccc1	252675338	TUKFOCMIFFTNLB-UHFFFAOYSA-N	568.680	3.714	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864007267	JHECDFNBLQVTMK-OAQYLSRUSA-N	533.412	3.872	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864019041	USORSWLIYHYKIY-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866589529	WPAJAKHZSHHCID-NBGIEHNGSA-N	576.696	3.644	10	10	KHCE	
C=Cc1ccccc1OCC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869051717	FGFJWLRJARHTFO-GDLZYMKVSA-N	557.647	3.719	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1	1869069595	VEIOFTQGLUTMJX-HSZRJFAPSA-N	567.568	3.757	10	10	KHCE	
CCc1nc(N2CCN(CCc3cccc(OC)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869124706	JQKDALJBAJXZNG-UHFFFAOYSA-N	516.690	3.748	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCN(C)CC3)nc12	2296698678	CNLGHFTWBXQFRL-SFHVURJKSA-N	505.669	3.717	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C	2297345896	LHBYWIQBYPMYPR-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1	2297346495	PSPNERMIVMZJLO-UHFFFAOYSA-N	512.613	3.792	10	10	KHCE	
CC(=O)OCCN(CCOC(C)=O)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(Cl)c1	100096241	ZWZLLAMBXRZLQM-VHXPQNKSSA-N	526.955	4.000	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	105486623	IDBGJPIMOWOKDJ-QJOMJCCJSA-N	593.731	3.734	10	10	KHCE	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826152	BKWGWWUZCNWHHW-VXPUYCOJSA-N	516.000	3.680	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C)cc1	1865179318	FTVJUNIHEFMJOZ-RUZDIDTESA-N	501.631	3.962	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867490460	QUFVBZYOWHCKJA-GRRRMQDASA-N	639.753	3.506	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869038384	SDOPUCFXHYOFCA-QABMSTFYSA-N	569.658	3.757	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4cccc(Cl)n4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1	1869970461	JVUBQONUBCXWPM-UHFFFAOYSA-N	524.412	3.979	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C(=O)O)c1OC	2053528285	BNFVCWSHFGSWKJ-UHFFFAOYSA-N	511.581	3.606	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(N4CCSCC4)nc4ccccn4c3=O)SC2=S)cc1	2295987659	JAKISPUCCWQAFM-UHFFFAOYSA-N	510.666	3.658	10	10	KHCE	
CN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	2296845194	DPCYLXZOBBDARM-UHFFFAOYSA-N	512.060	3.501	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=N)N21	20206639	NMRBZXMZTOFTFI-WTZVULCFSA-N	519.004	3.939	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCCOc1ccccc1	101398845	YUYRVEOZAXJMRV-BQFUFWTISA-N	542.639	3.945	10	10	KHCE	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC	206886800	UWBVRIYPFRCNMK-QNGOZBTKSA-N	513.641	3.879	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	526563786	UCDKACAEBBSYFL-VWLOTQADSA-N	521.522	3.975	10	10	KHCE	
Oc1c(I)cc(I)cc1[C@@H](CC(F)(F)F)N1CCOCC1	575308670	RCNLMSHTAUSLBC-LLVKDONJSA-N	527.062	3.927	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864016373	NKHVAUJXUHRFLZ-QHCPKHFHSA-N	528.565	3.527	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2	2037504681	DHYLGBJCEGEBGQ-PIUROCSFSA-N	746.674	3.511	10	10	KHCE	
CSc1ccc(C=C2SC(=O)N(CCNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2=O)cc1	2042444253	QCHWHZVTXOCPFB-UHFFFAOYSA-N	563.698	3.801	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	2296732338	XFTWQPPSACJMKW-NRFANRHFSA-N	565.696	3.849	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	2297345147	WRFUYRCKLQURCS-UHFFFAOYSA-N	502.599	3.793	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N	33458899	SCWZVDOPIVSKJO-LPYMAVHISA-N	525.675	3.888	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1	1864018945	FGXOBQDDCKYPII-LJQANCHMSA-N	513.392	3.829	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2	1865029285	JTUOKQRACYHFND-QHCPKHFHSA-N	504.587	3.952	10	10	KHCE	
CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866810274	YDRLGQQMYATYKL-SANMLTNESA-N	589.670	3.898	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867626460	GCGRRPYMXLLGDS-MZXCDDGRSA-N	639.753	3.506	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867921897	DAIBVOCBJKAUTB-URLMMPGGSA-N	585.705	3.994	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1	1871577551	QQPMVTIDFHPOBT-UHFFFAOYSA-N	513.621	3.896	10	10	KHCE	
CCN(CC)CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1	1871671327	XSUGYFDUVGANQC-UHFFFAOYSA-N	518.710	3.555	10	10	KHCE	
COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	2313507688	GNSCVIRYUAJGQO-UHFFFAOYSA-N	527.112	3.729	10	10	KHCE	
O=C(O)Cc1csc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)n1	16922777	FYCZLFNNALFSJN-ZSOIEALJSA-N	513.569	3.992	10	10	KHCE	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1CCS(=O)(=O)O	101013313	CEDGYPCQQXLDKM-QJOMJCCJSA-N	618.784	3.803	10	10	KHCE	
CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc32)SC1=S	102838899	DTQCGFXJBPVHIR-GHVJWSGMSA-N	553.662	3.847	10	10	KHCE	
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(NC(=O)c5ccccc5C(=O)N5CCOCC5)cc4s3)c([N+](=O)[O-])c2)C(=O)N1	164005743	VUSGGNXQQXNYIS-UHFFFAOYSA-N	658.674	3.830	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	254395600	PDTXLYOTDYQHRO-AREMUKBSSA-N	557.628	3.677	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864010707	AXTLFEDHOBMBHL-RUZDIDTESA-N	544.539	3.530	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864012427	ZQQOPIALHXHSIH-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@H]2c1ccc(O)c(O)c1	1864020938	ISDHABQYOJGJMD-DEOSSOPVSA-N	515.614	3.812	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865029399	MJQYLOJDZHUMLC-OFVILXPXSA-N	532.641	3.753	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)=C(N)O2	1865030303	HPCQDGAWFWZPSR-VWLOTQADSA-N	548.640	3.954	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)cc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865057882	KXEAFQCVQGRTJM-RUZDIDTESA-N	547.656	3.709	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc[nH]1	1865606450	UYHJCXPGGBGPMA-DEOSSOPVSA-N	524.625	3.950	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867722084	IFUSXVKVDVFELJ-RRPNLBNLSA-N	540.730	3.873	10	10	KHCE	
CCOC(=O)c1ccc(CN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873165083	BDQDPFFBAVKBSZ-UHFFFAOYSA-N	514.626	3.702	10	10	KHCE	
COc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1	2042437843	CRVIUTXRBCFJSB-UHFFFAOYSA-N	538.622	3.563	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cccc(C)c3)CC2)cc1	1862284726	JPWNBQPKYNBWNT-MUUNZHRXSA-N	515.610	3.619	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864013088	PVNFKYSRGJTWRS-HSZRJFAPSA-N	524.593	3.672	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864016601	TZVXCYHYYUAMHZ-MWTRTKDXSA-N	547.011	3.855	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865030443	JYNKMWLWLBNJKA-SRGWNRLKSA-N	536.604	3.765	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(C)cc4)[C@H]3c3ccc[nH]3)CC2)cc1	1865592870	KARWAHNDQHALRI-HHHXNRCGSA-N	538.652	3.928	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867832829	GYBAOQUSQMKRNX-RPBOFIJWSA-N	572.688	3.764	10	10	KHCE	
CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868881160	LNRCSDAHJQKGPU-YWEHKCAJSA-N	505.619	3.542	10	10	KHCE	
CN(C[C@@H]1CCCO1)C(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870994396	IOKOHNMBJKHHJJ-SANMLTNESA-N	520.630	3.603	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1	1871511428	BZDXUXYOYRSALQ-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12	29546948	PCDQLFWIZFQMAV-UHFFFAOYSA-N	507.616	3.803	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)C(=N)N21	96459849	XJJQYQDDLGHIIN-JNCKMBBWSA-N	507.597	3.732	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864007170	HGJLIOJJRFFQKX-BTYIYWSLSA-N	531.396	3.889	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCO)[C@@H]3c2ccc(O)c(O)c2)c1	1864016818	YADMSSKILCZFMI-RUZDIDTESA-N	540.620	3.820	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccc(C)cc2)=C(N)O3)cc1	1864022698	PYVIVWPDCZVXPR-HSZRJFAPSA-N	512.566	3.826	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(CO)CC2)=C(N)O3)cc1	1865032715	JABDMMOATXRNPC-XMMPIXPASA-N	548.640	3.551	10	10	KHCE	
CCOC(=O)c1c(NC(=O)c2cnc3nc[nH]n3c2=O)sc(C)c1-c1ccc(Br)cc1	1866072552	HVECKEQSLSZXLX-UHFFFAOYSA-N	502.350	3.646	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1	2314754454	SOLFLSRUGFUNDY-UHFFFAOYSA-N	506.646	3.933	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccco4)n(-c4ccc(OC)cc4)n3)CC2)cc1	2331394457	JYJXXLOLWWWXAW-UHFFFAOYSA-N	500.559	3.856	10	10	KHCE	
Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1	6038859	KWGPASYYTLEJIW-XSFVSMFZSA-N	506.565	3.974	10	10	KHCE	
COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3)S2(=O)=O)cc1	15732932	QNANRCFBTQWQSM-UHFFFAOYSA-N	519.623	3.794	10	10	KHCE	
COc1ccccc1OCCCn1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	104559115	PDHLZTMOAAGABW-GSROUWSESA-N	537.623	3.740	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@H]2CCCO2)=C(N)O3)cc1	1864017814	VVEWWAGMXDWAEL-OFNKIYASSA-N	534.613	3.616	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865029062	FGPBQKFVXAMGJN-JOCHJYFZSA-N	525.005	3.567	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865033703	GUIIRQBXBXPLNT-XMMPIXPASA-N	547.656	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C[C@@H]3CCCCO3)CC2)cc1	1869043185	HOTVRQGQOZGBAD-IZZNHLLZSA-N	511.688	3.721	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873166484	QTKXLTYZZWTWOJ-XMMPIXPASA-N	520.630	3.564	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	2297346314	VBURTFGHUOWCOH-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	2326943718	DLATWYJHSZTCJW-HNNXBMFYSA-N	509.609	3.723	10	10	KHCE	
CCCCCN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S	33389918	XYNAEOBQEUSUNJ-CYVLTUHYSA-N	529.688	3.673	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	96459916	BKHQDNNBYACDNX-DWCAQMBTSA-N	512.613	3.718	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC1=S	100849892	QXKMRPZRAOAQKL-JJIBRWJFSA-N	621.741	3.592	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)NC3=O)c2)CC1	101013639	IMUTYLFCNAZAFR-KQWNVCNZSA-N	582.729	3.992	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=N)N21	104560808	BYTRGZFOAVPPBN-MGGLCJOQSA-N	532.987	3.579	10	10	KHCE	
CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864015821	WKVVPWQQOMDVNK-QGZVFWFLSA-N	506.456	3.720	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCOc4ccccc42)[C@@H]3c2ccc(O)c(O)c2)cc1	1865027022	DBWBPEWOZMGMQS-RUZDIDTESA-N	526.549	3.721	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(CCO)Cc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865028370	SWFPLJWHFNNZEO-HHHXNRCGSA-N	540.620	3.675	10	10	KHCE	
NC1=C(C(=O)N2CCC(O)CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865031801	OHTIPAQXTKMDPE-VWLOTQADSA-N	538.604	3.688	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3ccncc3)CC2)cc1	1865403003	OCMYYZMSLGKIQC-MHZLTWQESA-N	536.636	3.687	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865534298	LQXRAPZSJHFMFH-RUZDIDTESA-N	531.657	3.859	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)C(C)C)CC2)cc1	1868659057	DONAMVYDQKKAIN-NSOVKSMOSA-N	500.643	3.906	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1	1869226667	LKVICUCEROHPOF-PMERELPUSA-N	539.684	3.934	10	10	KHCE	
COCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870381803	ZIYNCQQOFWCCIL-UHFFFAOYSA-N	511.594	3.552	10	10	KHCE	
O=C(CN1C(=O)C[C@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	2041467602	AEAKGFLVKHMFOZ-INIZCTEOSA-N	519.526	3.673	10	10	KHCE	
COCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S	33460088	MWSGTLNMCSYLCX-XQNSMLJCSA-N	522.696	3.872	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	102824459	KQNLSXXVJAWOKL-DTBMRADHSA-N	505.669	3.799	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864012112	RMMJYCKEMURCSI-JOCHJYFZSA-N	506.946	3.908	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864012592	DQSAFFHQXWIJQT-AUSIDOKSSA-N	539.032	3.938	10	10	KHCE	
CCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867295143	PVBPHYSVORYAHO-SVBPBHIXSA-N	508.663	3.920	10	10	KHCE	
CC[C@@](C)(NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868926919	WPYLTLRUJXWPDB-SSEXGKCCSA-N	553.704	3.851	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21	1875225608	WAMKEYQXBCBTQO-LJAQVGFWSA-N	587.725	3.859	10	10	KHCE	
NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3cc(Cl)cc(Br)c3O)SC2=S)cc1	2323840810	ZAHQRUGHKSKHMP-UHFFFAOYSA-N	533.878	3.899	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CSc3nc4n[nH]cc4c(=O)n3-c3ccc(C)c(Cl)c3)CC2)cc1	9490748	JQTSMECYSHHJAT-UHFFFAOYSA-N	525.034	3.520	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)CC2)cc1	102861142	JFZXPRGFEWPSIU-ZHNJOBQTSA-N	577.732	3.718	10	10	KHCE	
CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	143245258	UOTONBRVHDGWLH-NHDPSOOVSA-N	526.640	3.627	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1	1085194901	HGBZBLPEFVMINN-BZTCNVBISA-N	772.638	3.522	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)CC2)cc1	1862241560	FHWUGRGUGUNVKA-SANMLTNESA-N	508.018	3.804	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864017143	GOXWEPVGCPDVHE-QHCPKHFHSA-N	500.530	3.996	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865029454	NULRTXLIKMXXLL-OJLQRUNKSA-N	534.613	3.575	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867630287	KEDBQUMBAAQRMV-QAXCHELISA-N	653.780	3.896	10	10	KHCE	
CC(C)OCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871261379	CGWLLDYFAUVYDK-UHFFFAOYSA-N	522.646	3.897	10	10	KHCE	
COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1	2297347311	BSIDFGQQNMNTHW-UHFFFAOYSA-N	508.556	3.897	10	10	KHCE	
CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	33813461	NNKZAZPHFOBDTH-RGEXLXHISA-N	502.662	3.885	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1	101398414	SLROKQCSFUGSBD-GSROUWSESA-N	537.623	3.740	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc(Cl)c1OC(=O)c1ccco1	104563491	GHSJBAYKUPSKPP-MFEJYIEMSA-N	536.975	3.561	10	10	KHCE	
CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	110526895	PFJZBZALOGZVFH-KQWNVCNZSA-N	555.701	3.752	10	10	KHCE	
CCc1sc(NC(=O)C(=O)NCCN(CC)CC)c(C(=O)OC)c1-c1ccc(Br)cc1	1860764086	YXHHVVFWXIQGIH-UHFFFAOYSA-N	510.454	3.923	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864008294	HRVZLEQFNWRYKE-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015104	JQGPVNPWLUUTOB-FQEVSTJZSA-N	546.546	3.907	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020152	WNKVMHUHXUFKAO-JOCHJYFZSA-N	535.004	3.597	10	10	KHCE	
NC1=C(C(=O)NCc2ccccc2F)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864021680	FLSGNGCAFFJPON-IBGZPJMESA-N	541.461	3.847	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccc(O)cc3)CC2)cc1	1865118619	QZNZSXIHUHAOEB-VWLOTQADSA-N	537.620	3.845	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCNc3ccccc3OC)CC2)cc1	1868795746	MNFYTZFLPGRVKP-MHZLTWQESA-N	534.632	3.721	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869038381	SDOPUCFXHYOFCA-AYWVHJORSA-N	569.658	3.757	10	10	KHCE	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)/C(=C\c4ccccc4)SC3=S)cc2)n1	8382530	PTNBBVQLVBOSDT-DEDYPNTBSA-N	539.664	3.734	10	10	KHCE	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1	100310596	KBUQEGPSUFOQKR-UDWIEESQSA-N	549.923	3.731	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2nc4ccccc4[nH]2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008448	KNXSKWIHMYYZEQ-RUZDIDTESA-N	522.565	3.788	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1	1864019021	UJUXLWUPFFWTCQ-QHCPKHFHSA-N	534.613	3.845	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1	1865031480	HUYUNYJKDCNUSY-HSZRJFAPSA-N	511.582	3.679	10	10	KHCE	
CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O	1866618201	QSOQIDZUDSCYTA-KRWDZBQOSA-N	537.572	3.861	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(-c4cccnc4)n3)CC2)cc1	1869358630	WLWGHEAFBMIZDX-DEOSSOPVSA-N	540.628	3.587	10	10	KHCE	
COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S	2296539240	IQFNFTYABSDVHB-UHFFFAOYSA-N	502.017	3.933	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)O	2313560721	DQAPCAFVYZROOG-UHFFFAOYSA-N	615.174	3.582	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)O	1083912446	JNBMHRJGNLWSGX-AUWJEWJLSA-N	568.174	3.740	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864008686	PUWFALKIIMTQDR-RUZDIDTESA-N	519.646	3.584	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1	1864010252	QLGRKHFMHPOMTK-FATZIPQQSA-N	508.575	3.602	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864016616	UFXQVJHWYGPZRU-RUZDIDTESA-N	539.636	3.690	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)Cc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865026852	BOZGPLXFOOMTOY-RUZDIDTESA-N	512.566	3.954	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029733	UIBSAVCSEOQVPN-NXMSCROESA-N	518.614	3.626	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3cccc(O)c3)CC2)cc1	1865048355	JPOSYSWETKQGCH-VWLOTQADSA-N	537.620	3.845	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865497778	BMXMHEOVNLIVEB-RUZDIDTESA-N	515.658	3.987	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865573537	XRNMLGJDBRAOQF-XMMPIXPASA-N	501.631	3.826	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc([N+](=O)[O-])cc1	1865649070	NAVGPITXJFMQDS-DEOSSOPVSA-N	546.628	3.816	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)c2nccn2C)cc1	1865880435	RUCJUWAQQHWNNW-AREMUKBSSA-N	537.576	3.530	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	2296907823	ANIAXZRCYHGYQM-UHFFFAOYSA-N	579.704	3.691	10	10	KHCE	
O=C1N=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)SC1=Cc1ccc(OC(F)F)cc1	2328652425	NBPNMUSXDFZXBK-UHFFFAOYSA-N	513.975	3.918	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3cc(OC)ccc3OC)c3ccccc3)CC2)cc1	2331198678	HTYNWTIMRDWPQT-GDLZYMKVSA-N	515.610	3.932	10	10	KHCE	
O=C1/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	1790870	VUNDJEDKISLROL-VMHRPQTGSA-N	558.641	3.970	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O	15044801	WMNYZPPSOXSOFN-CYVLTUHYSA-N	524.661	3.932	10	10	KHCE	
CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC	526312782	WYPDNPPDEMUOCG-DEOSSOPVSA-N	526.567	3.600	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2	1864014646	ZMPNPJYKOZALJP-FYSMJZIKSA-N	514.582	3.581	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864017004	CDVMNGMECPEVPP-HSZRJFAPSA-N	527.581	3.965	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@@H]2c1ccc(O)c(O)c1	1864023259	WQQIUVVBXGUJQU-LJQANCHMSA-N	537.583	3.656	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865032766	KBWGRLNZEXOWJN-AREMUKBSSA-N	537.620	3.889	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867298505	UFHNSIIAUNROME-KAYWLYCHSA-N	540.730	3.873	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868640064	BVQDKXLPWYFIBS-XMMPIXPASA-N	508.594	3.974	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COc4cc(F)ccc4F)n(C(C)(C)C)n3)CC2)cc1	1869970780	PVFVLJFJFHAAIE-UHFFFAOYSA-N	500.550	3.664	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccc(O)cc4)n(-c4ccccc4)n3)CC2)cc1	1869970785	XSNIQWZCPWTBTH-HXUWFJFHSA-N	514.586	3.714	10	10	KHCE	
CCOCCOC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871122061	VCOXVGUJGUIWAB-UHFFFAOYSA-N	508.619	3.724	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873167835	ZWGNPRFKVUUWKK-UHFFFAOYSA-N	500.647	3.605	10	10	KHCE	
COc1ccc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	33694164	WRDDSBNNEXAZEF-JCMHNJIXSA-N	511.559	3.665	10	10	KHCE	
Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)cc1	100455102	MIXMGACGEVGRFD-UHFFFAOYSA-N	592.629	3.762	10	10	KHCE	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	101013391	PUYBDDMTROTDPF-ZKFYFQMZSA-N	614.796	3.712	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1	252671369	NHZYVVBGMSDPAH-RUZDIDTESA-N	505.640	3.653	10	10	KHCE	
CC[C@@H](C)NC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC	1860764027	WUVJFNMZFBJEPM-OAHLLOKOSA-N	503.621	3.611	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2	1864009791	DSFVZFONHLIIBC-HXUWFJFHSA-N	533.412	3.736	10	10	KHCE	
COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864010800	WTZSFVYWDCSIDY-ODCWNRFASA-N	543.580	3.576	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)c(OC)c1)=C(N)O2	1864014581	YUTFVLJZKZRLLP-XMMPIXPASA-N	536.629	3.728	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644591	HEUFCJKZBFUWFD-KAYWLYCHSA-N	539.746	3.906	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)CC2)cc1	1868602113	UCSACOIIDLITTN-JOCHJYFZSA-N	552.741	3.951	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(C)n5C)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1	1869254952	VJHVROCQLKXGSD-UHFFFAOYSA-N	560.106	3.896	10	10	KHCE	
COC(=O)c1ccc(CN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873166246	IMKLWGOEENSEPV-VWLOTQADSA-N	513.594	3.929	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873168650	DGZLZKYSWJXTTF-UHFFFAOYSA-N	518.683	3.790	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CSc3nc4[nH]ncc4c(=O)n3-c3ccc(Cl)cc3Cl)CC2)cc1	33358177	ROYOSFYIGLKZEA-UHFFFAOYSA-N	545.452	3.865	10	10	KHCE	
CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143324209	TYJARYMPNRZJAZ-DUQUIBLKSA-N	560.698	3.578	10	10	KHCE	
CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	143358825	CSZOCYRJWNRABK-JAIQZWGSSA-N	526.640	3.735	10	10	KHCE	
[N-]=[N+]=NCCNC(=O)c1cc(I)cc(I)c1I	701280724	JMYXTAHTVKPAFI-UHFFFAOYSA-N	567.894	3.541	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865032417	BZENLJLORSDMRU-XMMPIXPASA-N	510.550	3.966	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccccc3)ncnc21	1875223998	GIFRSSUBUKDTJK-UHFFFAOYSA-N	514.630	3.703	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C(=O)NC1=S	2313624451	SUCZYKLYCQAVOU-UHFFFAOYSA-N	542.411	3.858	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4c(C)cccc4C)cc3)C(=N)N21	96460372	HQKSVCXNLCZWLU-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCSCC3)SC2=S)cc1	105460363	KDPGGRCWMNMEBR-KGENOOAVSA-N	526.709	3.571	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2	1864010225	KMYXUIPDEUFTOV-DEOSSOPVSA-N	546.624	3.733	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(O)cc1	1865123095	LPEBRYTXHGWMJE-XMMPIXPASA-N	517.630	3.613	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867921899	DAIBVOCBJKAUTB-WDYNHAJCSA-N	585.705	3.994	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425790	LUQQNJUSRZOCCU-UHFFFAOYSA-N	529.597	3.917	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296940624	OOJYZWJLWSIEFL-UHFFFAOYSA-N	565.721	3.576	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1	2297346060	ZPRRSJQLENUREB-UHFFFAOYSA-N	519.004	3.857	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2	2297749118	DHYLGBJCEGEBGQ-NHBMRCDCSA-N	746.674	3.511	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S	2314837422	SBLOLKOASMGMQT-SECBINFHSA-N	621.354	3.793	10	10	KHCE	
COc1ccc(CN2C(=O)N=C(O)/C(=C/c3cc(I)c(O)c(OC)c3)C2=O)cc1	33926124	BAKLVAIULKZLDC-AUWJEWJLSA-N	508.268	3.516	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1C	104562690	BZQMWVICLDTARX-DBQMFKLFSA-N	542.639	3.861	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1	1861954591	HPDPJCLUHIOMTM-GPLAWQGUSA-N	514.582	3.693	10	10	KHCE	
CCOc1ccccc1OCC(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	1862178094	YBLNJZNFDGDDSU-NDEPHWFRSA-N	503.599	3.679	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864017665	RCKDPDGJKBUFIT-XMMPIXPASA-N	512.566	3.866	10	10	KHCE	
CCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1OC	1865281841	MQEFEEJOLUFASD-SANMLTNESA-N	547.656	3.671	10	10	KHCE	
Cc1nc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)co1	1867224996	GTXZTEXQPOSJAI-DEOSSOPVSA-N	511.509	3.806	10	10	KHCE	
COCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1	100930279	DWPLRNDLGGXTIV-NRFANRHFSA-N	538.670	3.646	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252669518	HTAIITAAZBRIHK-XMMPIXPASA-N	586.508	3.644	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)CC1	1858591198	CAQPMTRJOFBEAQ-XNTDXEJSSA-N	501.424	3.985	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1	1861957021	WQFUWTZGSUWPKP-ZOYLIWTNSA-N	514.582	3.693	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(OC)cc(OC)c3)CC2)cc1	1862126957	XXGYRGAZRILUTG-MHZLTWQESA-N	521.589	3.541	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864008743	RCKZBXUCGSXFDG-SANMLTNESA-N	526.593	3.979	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865032441	CJDLBOTZVQWRFR-QHCPKHFHSA-N	538.048	3.747	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccccc3O)CC2)cc1	1865529668	VXWZKANDAFCAEM-RUZDIDTESA-N	537.620	3.845	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3cccc(F)c3)CC2)cc1	1865543705	XQYKPHQIPDLZRL-SANMLTNESA-N	540.599	3.767	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)c3ccccc3)CC2)cc1	1868985605	OSAKVMFNMYFJAJ-NDEPHWFRSA-N	524.625	3.744	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(N5CCC(C)CC5)cc4)c(=O)cc3O)CC2)cc1	1870130798	QQLWHAJSGONDPA-UHFFFAOYSA-N	502.615	3.750	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1	100849815	JTQKSXCGHMQGAG-OQKWZONESA-N	563.705	3.725	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@@H](C)O1	101013201	WOLYEVZDZNCMBT-GNUDVLMQSA-N	593.731	3.640	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl	101399078	VTTPLNFEEDVMKP-KELBLCKYSA-N	547.014	3.969	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	254710077	GMVPAJRBBCNYPI-YIKTXEIOSA-N	503.624	3.538	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC	526386770	DNDHTZZKBVJVIT-MHZLTWQESA-N	517.582	3.924	10	10	KHCE	
O=[N+]([O-])c1cccc(N=NN(c2cccc([N+](=O)[O-])c2)C(Br)(Br)C(O)O)c1	1084261821	FMANBBHPHBNIAP-UHFFFAOYSA-N	505.079	3.763	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864009557	AOYAKQORWDHBLT-QFIPXVFZSA-N	527.021	3.863	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CCC)[C@H]2c2ccc(O)c(O)c2)cc1	1864011000	XXNTWYAMPFJJNK-XMMPIXPASA-N	534.613	3.981	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1	1864011986	OJJAFGGPPOAUCW-RUZDIDTESA-N	530.556	3.810	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864019572	MQCAUBOECWHGPR-JOCHJYFZSA-N	502.596	3.978	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865029007	DARGWCQKWFECGW-GCJKJVERSA-N	525.005	3.567	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865033090	RMTSVNQILDPWDX-CYFREDJKSA-N	518.614	3.612	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	1873170560	FREJPJNWMANDDA-UHFFFAOYSA-N	522.653	3.977	10	10	KHCE	
CCOc1cc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc(Br)c1OC(C)=O	2297458255	AEATZUBZTMYDCX-UHFFFAOYSA-N	571.165	3.839	10	10	KHCE	
CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O	110523730	OAAFDCPZXJCORG-XTAKAOOOSA-N	552.678	3.792	10	10	KHCE	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1	208520539	RTPYLMSZCLCBDL-LFIBNONCSA-N	506.418	3.851	10	10	KHCE	
O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1	210496168	UYIHHOOGZPNBLW-OVCLIPMQSA-N	508.480	3.524	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O	247920676	OBSSFJLJTJNCHZ-OSYMNAPVSA-N	573.602	3.950	10	10	KHCE	
NC(=O)Nc1cc(Nc2nc(F)nc(F)c2Cl)ccc1N=Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O	255995690	PWMAWDOHDAXMCR-UHFFFAOYSA-N	563.908	3.551	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)c1	1864011339	GZTIQKXCAXCDLA-XMMPIXPASA-N	500.555	3.872	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864012142	SDUQQFAMDBNQEP-RUZDIDTESA-N	540.555	3.677	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864014078	MYYMSQUEXSSMFN-HSZRJFAPSA-N	522.602	3.685	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864014816	CZOZKLGFCSNLID-INIZCTEOSA-N	508.884	3.846	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867720106	UAXWKBJYNJYQSO-RRPNLBNLSA-N	508.663	3.920	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1cccc(C)c1	2297346061	ZTGBLKOCXGWSAH-UHFFFAOYSA-N	512.613	3.982	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509019	KYWFBXBGIAMJPH-UHFFFAOYSA-N	576.719	3.828	10	10	KHCE	
Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc4c(c3O)C[C@H](O)[C@@H](c3ccc(O)c(O)c3)O4)[C@@H]2O)cc1	4098617	KTNXYFUXAOFFIX-ITWKGUDMSA-N	546.528	3.584	10	10	KHCE	in-vitro
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	102765234	YCNQWGQSPHSNJT-HACRSSKKSA-N	511.007	3.616	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864012381	YVGUPDMFXZBXNO-VWLOTQADSA-N	520.630	3.977	10	10	KHCE	
CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015111	JUEQMWKEHSKQQA-HXUWFJFHSA-N	546.546	3.987	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1	1864016496	QLSUQJWXPSQMRM-JOCHJYFZSA-N	505.619	3.524	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865031027	XIJXQEBQEBKJLA-VWLOTQADSA-N	549.647	3.681	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc5n[nH]cc5c4)[nH]3)CC2)cc1	1871628968	QNGPXEPZAOIHMH-UHFFFAOYSA-N	507.602	3.861	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C[C@@H](C)O1	2296544419	BLXRCFOVPGNACL-HDICACEKSA-N	598.728	3.623	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(Cl)c3)C(=O)N=C2S1	2297346493	PJEALGDDKPCCEX-UHFFFAOYSA-N	532.987	3.659	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12	2314399907	FCVNEYJJCQDBAZ-GASCZTMLSA-N	500.646	3.551	10	10	KHCE	
CN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2cc(Br)ccc21	2314717460	ZIAZOPNYZBFKGE-UHFFFAOYSA-N	508.806	3.995	10	10	KHCE	
Oc1cc(O)c(C[C@@H]2Oc3cc(O)c4c(c3[C@H]2c2ccc(O)c(O)c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C4)c(O)c1	56874792	HLOYODWMNGTCGH-SEGPTPNXSA-N	562.527	3.504	10	10	KHCE	in-vitro
CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=N)N12	96459443	QAJAXWZZQHXKIE-AZAZKDLZSA-N	502.599	3.793	10	10	KHCE	
COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1	526602032	ILVTYDUFGSMXQU-QHCPKHFHSA-N	505.479	3.737	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2)cc1	1861955138	SJMUDMFGPULZBO-GPLAWQGUSA-N	500.555	3.823	10	10	KHCE	
CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2CC)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862187115	GRNOTGJSFMQLLA-OZXSUGGESA-N	520.674	3.553	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864013089	PVNFKYSRGJTWRS-QHCPKHFHSA-N	524.593	3.672	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018345	JACTUAICGBXWNO-QFIPXVFZSA-N	527.021	3.794	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865029754	USGWQTMOOMNQQI-HJPURHCSSA-N	539.032	3.815	10	10	KHCE	
NC1=C(C(=O)N2CCC(CO)CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031347	FEASDCYHNYBZGT-VWLOTQADSA-N	538.604	3.876	10	10	KHCE	
COCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)c(Cl)c1	1869969179	IPDXCEIMGNXZHO-UHFFFAOYSA-N	505.406	3.884	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(Cl)cc4)cn3CCN(C)C)CC2)cc1	1870441231	ZQGBMEPVDXPEPI-UHFFFAOYSA-N	511.066	3.973	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870651963	HZIQXTYCEIJVJM-UHFFFAOYSA-N	520.630	3.615	10	10	KHCE	
CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O	1873167474	JACAPHZLRIBEPZ-UHFFFAOYSA-N	502.663	3.851	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)COc3ccccc3)CC2)cc1	1874642636	JZRMTSSNURAAAA-MUUNZHRXSA-N	512.610	3.632	10	10	KHCE	
CCOc1cc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc(I)c1O	2296648367	GUEHWHYYCGCTCY-UHFFFAOYSA-N	529.128	3.619	10	10	KHCE	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)N(C)C(=O)CO5)c(C)s3)ccc21	11858000	NFKNOTKDQWRJFU-UHFFFAOYSA-N	512.613	3.574	10	10	KHCE	
Cc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	20207557	PWTOUVKCOYKMDD-MRKXPFMVSA-N	507.597	3.650	10	10	KHCE	
O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C\Nc1ccc(I)cc1	100408428	IGKSNJSQYUOHEO-LCYFTJDESA-N	579.704	3.845	10	10	KHCE	
Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	100850925	NDSWIZOMZMENOU-RCCKNPSSSA-N	558.689	3.807	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	101266989	HLGDRNAFKWOPKC-JJBLJPBOSA-N	524.711	3.847	10	10	KHCE	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=c1\s/c(=C2\N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	102154188	PLODUNDLHORQPD-KDWICJRTSA-N	551.628	3.916	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	207313527	HLVSCNFAKHWYRA-ABZVSAKDSA-N	548.683	3.959	10	10	KHCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC	526389407	QYGIMOVOUBNBHF-AREMUKBSSA-N	517.582	3.924	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@@H](C)O1	575417424	RDYXRPGVNWOQLW-IJBTWZJXSA-N	765.768	3.581	10	10	KHCE	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1	606671900	BVKLREPTKLZSJP-WDOSNKBOSA-N	553.706	3.539	10	10	KHCE	
CN(Cc1cccnc1)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O	958317654	UUDNJXMDBDPSPH-NSOVKSMOSA-N	582.749	3.707	10	10	KHCE	
CC(C)OC(=O)c1cccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	1860827436	YFRNSMDYZJFQTL-MRCUWXFGSA-N	510.593	3.845	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1	1865883767	JDLWBIKSEBUNBD-HHHXNRCGSA-N	511.626	3.901	10	10	KHCE	
CCCC[C@@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867284773	PQTLIBOBYFUEOT-HAPLJMJGSA-N	544.696	3.882	10	10	KHCE	
CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867470380	ZHTVCHHKKMRMDC-IZLXSDGUSA-N	619.763	3.700	10	10	KHCE	
COCCN1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873420731	VGZCDOGRXKXGKV-UHFFFAOYSA-N	513.642	3.684	10	10	KHCE	
Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	2296846598	BAGGBOZHXYOIAL-KRWDZBQOSA-N	502.662	3.610	10	10	KHCE	
CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCN5C(C)=O)n3)cc21	11857981	BMRXZYFUIVRMGO-UHFFFAOYSA-N	512.613	3.655	10	10	KHCE	
Cc1cc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)ccc1Cl	96459760	VKPPQVPUEVGAKM-HGPWHKJCSA-N	519.004	3.727	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C\c4ccc(F)cc4)Oc4ccccc43)CC2)cc1	101632850	UAJYKDCEOLQXOE-XHLNEMQHSA-N	544.627	3.929	10	10	KHCE	
O=C1/C(=C\c2ccccc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	207307906	ZYYVWPBFSRWGBU-QCBCRBAMSA-N	559.735	3.687	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	254862464	VEZPGYJFMYOSOM-JOCHJYFZSA-N	526.456	3.627	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084362685	UKOLQVJGMHCRQI-OAQYLSRUSA-N	715.351	3.779	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]2c1ccc(O)c(O)c1	1864015657	UOQZUKGCCRFIEE-OAHLLOKOSA-N	528.409	3.880	10	10	KHCE	
NC1=C(C(=O)NCc2cccs2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864023269	WVTAUTYRALDDNP-QGZVFWFLSA-N	529.500	3.770	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1865029560	QHBQLTYEWRVVJN-DEOSSOPVSA-N	536.629	3.560	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030021	AJORIRJWCXLHSX-QFIPXVFZSA-N	525.005	3.502	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865204671	PNAVNIZTRYVSIH-XMMPIXPASA-N	517.630	3.531	10	10	KHCE	
CCc1sc(NC(=O)c2cnc3[nH]ncn3c2=O)c(C(=O)OC)c1-c1ccc(Br)cc1	1866225071	SYBYTUNOBISSRL-UHFFFAOYSA-N	502.350	3.510	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867689483	FCDSEKKLOULYMH-VMPREFPWSA-N	634.243	3.669	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868770558	WQEWYMHSLDOKJN-HSZRJFAPSA-N	540.462	3.809	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCC(C)CC4)cn3CCC(C)C)CC2)cc1	1870497083	VDORWQMXEFYVSE-UHFFFAOYSA-N	524.706	3.863	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1	1871493537	RYICFARRWNQCLK-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc32)SC1=S	2296713645	NESRWKDJCRXNPN-UHFFFAOYSA-N	561.689	3.841	10	10	KHCE	
CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O	110524792	PRPXGLCCFICGMX-ULJHMMPZSA-N	551.738	3.643	10	10	KHCE	
NC(=O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	1858590493	TUYMHBJIBJCPAP-ATASCALFSA-N	530.027	3.904	10	10	KHCE	
CC(C)=CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1859001644	ZHSYVTROBZOBFW-UHFFFAOYSA-N	531.590	3.597	10	10	KHCE	
CCN(CC)CCNC(=O)c1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1	1860721526	NPHSOBSEVURVGT-UHFFFAOYSA-N	511.848	3.608	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864009061	YNOANSZASFCVJT-SANMLTNESA-N	526.593	3.979	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864013798	GIJIBYUZNNGOBO-IVZQSRNASA-N	532.984	3.796	10	10	KHCE	
CSCC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866607788	DNBZYRKGFLLQNQ-JOCHJYFZSA-N	530.602	3.652	10	10	KHCE	
Cc1nnc(N2CCN(c3cc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(-c4cccnc4)n3)CC2)n1C	1868565156	UHWXOYLLWCTVEG-UHFFFAOYSA-N	557.618	3.821	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868605419	APTUUQKZOWEDJO-MHZLTWQESA-N	558.635	3.722	10	10	KHCE	
COc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccccc2Cl)cc1	1869969105	FAINCYPILDMAMV-UHFFFAOYSA-N	519.005	3.939	10	10	KHCE	
CCCCc1ccc(Nc2nc(=NCCN(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871502893	YRTSOGZXEWZZEV-UHFFFAOYSA-N	504.683	3.688	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)CC1	1873162035	CSAAJUNVORKAQT-UHFFFAOYSA-N	544.656	3.671	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1cccc(C)c1	2297345638	OAMQQNPGWLTEDC-UHFFFAOYSA-N	542.639	3.861	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccccc1C	2297346161	IJVPAEBRAGMGAA-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1cccc(C)c1	101395080	MLHYCJASSDYWBX-OQZKWKKUSA-N	542.639	3.863	10	10	KHCE	
CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	101732195	BNDIXZQYLSFWNO-OQKWZONESA-N	550.699	3.648	10	10	KHCE	
CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)CC1	150449476	LQULWGFNSOPYGO-OOAXWGSJSA-N	635.768	3.806	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC	1084383820	IPFCMTSALRTIHY-DHDCSXOGSA-N	524.286	3.894	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864015955	GXXQLAPNHDWPML-DEOSSOPVSA-N	544.583	3.996	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2	1865029131	GSKBNVCKPHNGKV-XMMPIXPASA-N	502.615	3.960	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cccc(O)c3)CC2)cc1	1865042885	HWLRDWUTLBDOLF-VWLOTQADSA-N	517.630	3.605	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccncc1	1865412684	VFTFZKRJNDYBGI-FQEVSTJZSA-N	542.562	3.759	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1	1867504875	QVSWYLUKWPVIGI-AREMUKBSSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC[C@H](O)C[C@H]4c4ccc(OC)c(OC)c4)nc(C)n3)CC2)cc1	1869304264	QSYTVSRFTZUNSY-ZCYQVOJMSA-N	519.646	3.840	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1[N+](=O)[O-]	1873426054	SMUBKVHTHHIGIB-UHFFFAOYSA-N	559.623	3.925	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(N5C[C@@H](C)O[C@H](C)C5)ncnc4n3CC(C)C)CC2)cc1	1873550139	NSGCFKLHSSPFFP-NHCUHLMSSA-N	506.651	3.672	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)c1	2296938712	WKCVICSWWUAUAE-UHFFFAOYSA-N	551.694	3.872	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	2297345921	NPWSAMYYNXUACY-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	213209322	NTVNXEUHYQHDAY-SYERDGIWSA-N	541.676	3.800	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	254843695	JSRMECGTBAKOMJ-AREMUKBSSA-N	535.666	3.662	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C(=O)c3cccnc3)[C@@H]45)CC2)cc1	257181043	FCOAPGROQWMXFX-YKHAVDHNSA-N	545.728	3.924	10	10	KHCE	
CC(C)c1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826789	MYOGOBFIOLDPLT-DQRAZIAOSA-N	509.609	3.841	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864008128	CTFWDSKDVYKNDK-NRFANRHFSA-N	537.370	3.958	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864009058	YMTGUOAVRMACOW-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2nc4ccccc4[nH]2)[C@H]3c2ccc(O)c(O)c2)cc1	1864011651	JQEKSENFEUFVJK-SANMLTNESA-N	536.592	3.847	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(=O)OCC)CC1)=C(N)O2	1865029589	QUMDVNQRVQUNHO-XMMPIXPASA-N	546.624	3.732	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3Cl)CC1)=C(N)O2	1865030161	DQOBYKYWYDGXEM-QHCPKHFHSA-N	538.048	3.964	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867626461	GCGRRPYMXLLGDS-WQBWHMICSA-N	639.753	3.506	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCCN3CCCC3=O)CC2)cc1	1870351014	JDFJKJYWFBHMPX-UHFFFAOYSA-N	510.679	3.617	10	10	KHCE	
COCCOC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870904230	JRLBTWGWDZTTAE-RUZDIDTESA-N	507.587	3.951	10	10	KHCE	
CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(=O)NC1=S	2294244465	MMQRSFFSKMGAMF-UHFFFAOYSA-N	517.563	3.884	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)c3cn(CC(C)C)c(=O)c4cc(OC)c(OC)cc34)CC2)cc1	9778629	QNICDWWVRCGXNY-UHFFFAOYSA-N	536.673	3.625	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	100849983	ADQJCNSCAYRTPV-LTGZKZEYSA-N	549.678	3.683	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	105486615	NELLYTCHIDXVMC-NKFKGCMQSA-N	593.731	3.734	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N([C@@H]3CC(=O)N([C@@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	1772759298	JUAYGWLUCJZDJD-BWVZXWQCSA-N	561.037	3.729	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2	1864017359	KJNMJYIAPZDOKI-XMMPIXPASA-N	540.576	3.644	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865029729	UHWSKRPHNXEYHP-DVECYGJZSA-N	518.614	3.694	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1865034278	SNLAFPAZTROUMF-FQEVSTJZSA-N	546.546	3.685	10	10	KHCE	
Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866666677	FIBHSUGLFAMCCG-HSZRJFAPSA-N	543.963	3.737	10	10	KHCE	
CCCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868731006	XQMDHXZWFXIRKB-RUZDIDTESA-N	509.647	3.813	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869010110	SFBPROKBWMMYRB-DEOSSOPVSA-N	506.647	3.587	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1	1869123142	SUIXWIOYXIBDPN-VWLOTQADSA-N	517.678	3.944	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3CCc3ccccc3)CC2)cc1	1870477303	CWWDLYZTANZRFM-UHFFFAOYSA-N	519.642	3.752	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4C)cc3)C(=N)N21	2297345702	TWNAMPHMKICZBZ-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1cc(C)ccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	2297346248	PKMMLZRLFCIFSQ-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H](Cc4ccccc4)C(=O)O)c4ccccc34)[C@@H]21	2297718140	RAMPJIFBDXEBLG-QDPGVEIFSA-N	508.578	3.600	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)NC2=S)c(OC)c1	2313541732	WTDLNZKIPWCUEK-UHFFFAOYSA-N	505.552	3.641	10	10	KHCE	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	100886164	MBKMJIPDXDJXGY-FYJGNVAPSA-N	538.651	3.972	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	103518944	JKFZZNOEXFQAJO-MKWGYRPRSA-N	535.666	3.662	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1O	248172837	XLIXOPQTSMHWLF-AMZZYFJHSA-N	520.969	3.879	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2nc4ccccc4[nH]2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864011649	JQEKSENFEUFVJK-AREMUKBSSA-N	536.592	3.847	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864012367	YJYFAJCQJABWDH-QFIPXVFZSA-N	506.559	3.863	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864012480	ANPBXGANXDAAOG-HSZRJFAPSA-N	506.603	3.533	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCC[C@H]2CO)[C@H]3c2ccc(O)c(O)c2)cc1	1865031698	MJBCLLYAVNEGKW-DHLKQENFSA-N	538.604	3.937	10	10	KHCE	
O=C(CC[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874017020	LILLRYCQYJUHAU-OAQYLSRUSA-N	501.926	3.955	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2313548185	OEDQGMSKGZZHHC-UHFFFAOYSA-N	510.850	3.625	10	10	KHCE	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12	2313556595	FDICFZAOKLDEDR-UHFFFAOYSA-N	543.432	3.638	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2c(c1)OCO2	2313558544	DHHJADFWUNVBSP-UHFFFAOYSA-N	506.511	3.973	10	10	KHCE	
CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	35520310	PCCOTBKTUDGCOF-MSAXLJQGSA-N	500.690	3.911	10	10	KHCE	
C=CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110076044	OSOLQFOJZZVZCQ-ZHZULCJRSA-N	544.662	3.804	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccco3)c2C(=O)OC)cc1	1860763949	TTZZTSSVQHFATC-UHFFFAOYSA-N	527.599	3.605	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1	1864015762	FDVGZWKMSXAUFD-JOCHJYFZSA-N	506.603	3.997	10	10	KHCE	
C[C@H](O)Cn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870982337	NQSSTMHXLKKVFJ-FQEVSTJZSA-N	502.571	3.873	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC3)nc12	2375256	LGQKTZNTBZRWGU-UDWIEESQSA-N	506.609	3.733	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1	39439833	VYRIJSTUVZANHV-PBMMVTTKSA-N	505.640	3.653	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864009746	CRTUUUBQTOZLBW-RUZDIDTESA-N	514.582	3.981	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864011358	SNKZWVMMJBNLFC-HSZRJFAPSA-N	506.603	3.862	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCN(C)CC2)[C@H]3c2ccc(O)c(O)c2)c1	1865028514	WGGNBGWBIRMPBD-SANMLTNESA-N	531.657	3.515	10	10	KHCE	
COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1	1865665247	JFOJXYCMNZVNKK-ZHZULCJRSA-N	507.484	3.889	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1	1868742507	LJRGSCWCQGVPLD-SANMLTNESA-N	575.797	3.743	10	10	KHCE	
CCOC(=O)CCOc1cn(Cc2cccc(C)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870451678	VJYVTCVPSMYYHC-UHFFFAOYSA-N	519.642	3.868	10	10	KHCE	
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)cc(I)c2O)C1=O	2313518433	CJTYPUHOUZMVLS-UHFFFAOYSA-N	574.112	3.576	10	10	KHCE	
CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	40066927	DZPVFTVNYZCAKT-MOSHPQCFSA-N	510.641	3.769	10	10	KHCE	
COc1ccc(OCCCn2cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)cc1	101397658	ATHXRUWSURLNOZ-RDJYZGLESA-N	537.623	3.740	10	10	KHCE	
NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3cc(Cl)cc(Br)c3O)SC2=S)cc1	1858591132	ZAHQRUGHKSKHMP-OVCLIPMQSA-N	533.878	3.899	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864013402	WRZPVTZQXBXOQJ-HSZRJFAPSA-N	524.593	3.670	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015254	NJVLKPFLVIRFNX-KRWDZBQOSA-N	506.456	3.721	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3ccccc3)CC2)cc1	1865013219	KCKYNPRJSUJHKK-SANMLTNESA-N	522.609	3.628	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(N(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865083349	SRWGVJHLORCTGC-VWLOTQADSA-N	530.673	3.583	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865602675	LMIJUQIVRUIKSL-VWLOTQADSA-N	539.640	3.600	10	10	KHCE	
COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1OC	1873168703	GPGZFCQKFLUOHL-UHFFFAOYSA-N	558.679	3.703	10	10	KHCE	
CCOc1cccc(N2C(=O)C(=Cc3cc(I)c(OCC)c(OC)c3)C(=O)NC2=S)c1	2294229040	IVXPTCUQGHWBNL-UHFFFAOYSA-N	552.390	3.929	10	10	KHCE	
CN(C)c1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1Br	2297470709	XWGKLORHPMURKM-UHFFFAOYSA-N	503.426	3.537	10	10	KHCE	
COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	2313559742	QAGAZNPOJMIGAK-UHFFFAOYSA-N	528.142	3.974	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1	33898284	PQZFVSCONSOABX-RELWKKBWSA-N	519.696	3.589	10	10	KHCE	
CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)cc1	59922960	LTVOGYVGWGEXCI-NTUHNPAUSA-N	510.138	3.555	10	10	KHCE	
Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1C	96459913	NVFQMLYDWWKXQE-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	96460033	ANPBFRNQHYXXAK-XCOJNYNVSA-N	519.004	3.727	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC	101969251	QYHOIXIRNOIZNH-QNGOZBTKSA-N	549.696	3.752	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252669517	HTAIITAAZBRIHK-DEOSSOPVSA-N	586.508	3.644	10	10	KHCE	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	254692652	UIQYPISYMPDWQY-UHFFFAOYSA-N	578.694	3.942	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc([C@@H]3CCCO3)s2)sc(C)c1-c1ccc(F)cc1	1860767026	UBXIKYZXNWKXOU-AWEZNQCLSA-N	504.565	3.741	10	10	KHCE	
COc1ccc(/C=C/C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1861935041	ZEPBHIFDOHGQFC-ZNMNGCECSA-N	517.601	3.932	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864011995	OQGVPFGWKATOTJ-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2	1865025725	CLZDDTQOGBMLSL-JOWJHRDDSA-N	506.578	3.989	10	10	KHCE	
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccncc2)[nH]n1	1867160763	DGNQALRRBDDQHL-SANMLTNESA-N	557.566	3.933	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)CC2)cc1	1868988549	SONRWTNGAQJYKJ-QHCPKHFHSA-N	548.713	3.693	10	10	KHCE	
CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O	1873166757	GMTBYRWEJKUSLE-UHFFFAOYSA-N	539.680	3.564	10	10	KHCE	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2C(=O)O)o1	2297459241	VOKPNFVYOWQFJD-UHFFFAOYSA-N	530.356	3.861	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	2314399356	RUURMEJNNJSHKZ-UHFFFAOYSA-N	623.757	3.743	10	10	KHCE	
Cc1cccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4/C(=O)Nc5ccccc54)S3)s2)c1	54201831	SLRVEGVGEJEYHH-MSUUIHNZSA-N	508.610	3.982	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc(C)cc1	96460887	BZNULDUCDQFHME-SPXSAIPKSA-N	512.613	3.982	10	10	KHCE	
CCOc1cc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)ccc1OC	526311479	DEMZJHMGXLDNLH-RUZDIDTESA-N	523.611	3.865	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864011724	KLXMKAKMYNPEHS-JOCHJYFZSA-N	506.946	3.908	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865395684	KJOOQXQQUDQZDI-RUZDIDTESA-N	530.673	3.939	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1	1868716385	FJMICUPGHBRUIL-DEOSSOPVSA-N	529.703	3.622	10	10	KHCE	
O=C1C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	2296166934	HEJJDWTZHSKZNX-HXUWFJFHSA-N	551.669	3.540	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(C(C)C)C3=O)CC2)cc1	2296696638	BLSZQEMCLIPMAO-UHFFFAOYSA-N	521.668	3.639	10	10	KHCE	
CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc32)SC1=S	2296710630	GWZFSKMDFZWGDI-UHFFFAOYSA-N	509.609	3.830	10	10	KHCE	
Cc1ccc(COc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)cc1	2297345327	NBKCRIXEGQBSHY-UHFFFAOYSA-N	533.429	3.958	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2297460063	PAEDGAIPTINZSC-QGZVFWFLSA-N	533.679	3.667	10	10	KHCE	
C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)C[C@H](C)O1	2314401192	VIULRJNUPWCRDY-ROUUACIJSA-N	506.653	3.752	10	10	KHCE	
CCOc1ccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1	2330935404	KJMZJDPYQOKYKG-UHFFFAOYSA-N	509.584	3.517	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	20609295	GMVPAJRBBCNYPI-NTTIFWPTSA-N	503.624	3.538	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC	40928040	VNCZHHOYOXNTJY-HMMYKYKNSA-N	508.662	3.877	10	10	KHCE	
Oc1cc(O)c(C[C@H]2Oc3cc4c(c(O)c3[C@H]2c2ccc(O)c(O)c2)C[C@H](O)[C@@H](c2ccc(O)c(O)c2)O4)c(O)c1	56874794	FFCVTFZKQFEUKL-YJRUHBOJSA-N	562.527	3.504	10	10	KHCE	endogenous,in-man
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864007787	VCQMBXTZEMENGQ-XMMPIXPASA-N	505.619	3.525	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865028506	WFBVAWLBIFZHST-OKHZJLECSA-N	510.978	3.576	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865028924	BGHRNLAKWJPKHW-HSZRJFAPSA-N	539.032	3.815	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2	1865029284	JTUOKQRACYHFND-HSZRJFAPSA-N	504.587	3.952	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3sccc3C)CC2)cc1	1865333717	GMQUIMDTMOIBSW-DEOSSOPVSA-N	542.665	3.998	10	10	KHCE	
COCCNC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870963517	CTHITQOPUPWTKY-UHFFFAOYSA-N	513.598	3.789	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCN(C)CC3)nc12	2296697778	LAYZBDUXAICMCH-UHFFFAOYSA-N	526.087	3.810	10	10	KHCE	
COc1cc(/C=C/C(=O)NCCCN(CCCCNC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)C(=O)/C=C/c2cc(O)c(O)c(OC)c2)cc(O)c1O	87520388	BIYOYDFZENIVGB-FOXWYSRTSA-N	735.787	3.920	10	10	KHCE	in-vitro
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(S(N)(=O)=O)cc4)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1	102370732	ODERJRLEPRNUQK-IZZNHLLZSA-N	606.730	3.587	10	10	KHCE	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c(OC)c1	104562586	RVSWYAGXKGYKGS-SMESXNLSSA-N	529.644	3.759	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4N4C(=O)c5c(ccc(OC)c5OC)[C@@H]34)CC2)cc1	606675444	LMOVPSCZAGAZGS-PMERELPUSA-N	570.646	3.956	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1	1862072310	JIMLDLKVKOFKPF-MUUNZHRXSA-N	514.601	3.934	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(C)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007298	KDCTUKGIGOCMDB-RUZDIDTESA-N	512.566	3.920	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1	1864010057	OKVHXKZRFLSIPG-XMMPIXPASA-N	534.613	3.837	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864016963	AXHSDJXLHVCULZ-VWLOTQADSA-N	526.593	3.908	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865030500	LCWBYUCSNAFFDS-AREMUKBSSA-N	545.684	3.852	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865032702	IPGVLIBCIDRWOE-DFFLPILJSA-N	525.005	3.830	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1Cl	2297345066	OBMSIAVHOQELJO-UHFFFAOYSA-N	504.977	3.549	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c(C)c1	20207873	UHZMTJMNZXFZKJ-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CC(C)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	24081360	JPCIAZOJXHMLSI-LTGZKZEYSA-N	505.669	3.626	10	10	KHCE	
CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O	33812689	JCAUVCMERVDEOA-VKZJTJHYSA-N	501.722	3.970	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	101267018	YPOAGUSEMNBDIL-MAGMUUGSSA-N	548.708	3.794	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	102690969	ZFXUOQOJUCWKKD-CJLVFECKSA-N	535.695	3.949	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864008265	GUMGTSTVTCBBMI-XMMPIXPASA-N	538.048	3.932	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2	1864009640	JHESEMIVUJSZTK-RUZDIDTESA-N	515.614	3.804	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)[C@H]2c1ccc(O)c(O)c1	1864009901	MWKKASIBDOCBHP-QHCPKHFHSA-N	520.586	3.589	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012597	DRNXNLVIPJACMC-XMMPIXPASA-N	520.630	3.577	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(C)cc4)cc3)C(=N)N21	2297345618	MNKKFKYMJWGNOY-UHFFFAOYSA-N	512.613	3.854	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	2313562120	GDVXDIRHUWUNRI-UHFFFAOYSA-N	507.886	3.810	10	10	KHCE	
CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	2314770080	YYQYKLZCHQBBDV-RUZDIDTESA-N	570.689	3.829	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCc4sc(NC(=O)c5ccc6c(c5)OCO6)nc43)CC2)cc1	8979558	LNICYKSINXSRAD-FQEVSTJZSA-N	520.611	3.901	10	10	KHCE	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	102522522	QYEMSCQAZKRAAY-RQZCQDPDSA-N	537.413	3.556	10	10	KHCE	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1C	103815264	PQBHWCLHCBGBEW-BOPFTXTBSA-N	544.383	3.640	10	10	KHCE	
CCc1cc(C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1	1861906590	AIAOBTVIRWTWTE-LJAQVGFWSA-N	503.647	3.750	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864019627	NVQUNRUZVXEADX-XMMPIXPASA-N	520.630	3.839	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865028178	RGLWIVOJWDSYTG-AREMUKBSSA-N	525.609	3.832	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865035205	NZIVUPXQKAZAAB-OAQYLSRUSA-N	547.439	3.747	10	10	KHCE	
Cc1nc2ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C	1867682112	TUUFJJODLKQTRP-IDISGSTGSA-N	502.663	3.774	10	10	KHCE	
CCC[C@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868654041	RFWZQDVUHKTNJH-VWLOTQADSA-N	520.630	3.843	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	2296540311	QGJCKBKZAAKDDW-UHFFFAOYSA-N	549.722	3.581	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12	2296707791	LAVIHNQMEDBNBU-UHFFFAOYSA-N	577.732	3.911	10	10	KHCE	
CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC	2313548989	KVSWJIRLICTSIK-UHFFFAOYSA-N	520.323	3.982	10	10	KHCE	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	213198423	VBTKEQHJUUOGFR-SYERDGIWSA-N	541.676	3.800	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	252671762	OEDUVMFOBZMJBY-SANMLTNESA-N	535.666	3.662	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1	1861958399	HIBLULIOVOUTJP-WVKUQPHVSA-N	514.582	3.693	10	10	KHCE	
CCCOc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1862062484	HZWWGGSJUJEXSF-MUUNZHRXSA-N	517.626	3.880	10	10	KHCE	
CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864021753	GFPSBADJCVVITL-KRWDZBQOSA-N	503.481	3.554	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1cccc(OC)c1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865105787	IKJBGVLLSZJPKX-XMMPIXPASA-N	547.656	3.622	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1O	1865534603	NZAPAOKDMGQAKZ-XMMPIXPASA-N	517.630	3.613	10	10	KHCE	
CC(=O)NCCN1C(=O)C(NCC2CCC(C(=O)OC(C)C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873170700	MNVDAZFXJNLGML-UHFFFAOYSA-N	548.684	3.658	10	10	KHCE	
COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873425844	HIBJQOWTMVAFEN-UHFFFAOYSA-N	523.593	3.967	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	1874642554	HZBDHNPCZJLRPG-MHZLTWQESA-N	527.581	3.775	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCN5C(=O)CSC5=O)ncnc4n3Cc3ccccc3)CC2)cc1	1875219758	QAAGZCQPSVCNGA-UHFFFAOYSA-N	585.690	3.558	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1	2297345541	GGBLXQNWKBAVPQ-UHFFFAOYSA-N	528.612	3.553	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1	2297345796	CPYQPXIJTXKDMI-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2313561068	SHGNXGMYOUWMIO-UHFFFAOYSA-N	552.175	3.820	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1	2314488848	PMCIOEUWAUGHRL-GOSISDBHSA-N	509.565	3.677	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326943703	AZKSYAOTNABJCV-LBPRGKRZSA-N	516.000	3.760	10	10	KHCE	
CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	40938745	MUCLPWXXMRZSJU-HMMYKYKNSA-N	506.646	3.631	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	100886463	WEYYHXBKMZKJJU-HMMYKYKNSA-N	526.087	3.891	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864010665	AODRYOJJQPKXJP-RUZDIDTESA-N	530.556	3.680	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1864011597	WEIDBMPJKVGMEY-VWLOTQADSA-N	514.582	3.983	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864013052	PCFHHVUJKPPEOB-DEOSSOPVSA-N	520.630	3.921	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864014256	QNXINSXJXAHYGZ-HSZRJFAPSA-N	546.027	3.976	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1	1864017276	JDLDIEZJJOWPCJ-DEOSSOPVSA-N	549.672	3.923	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865030336	HZDGUEWLTXUWAK-HSZRJFAPSA-N	539.032	3.626	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1	1865033784	HZXKJXCUCXWVFT-GOSISDBHSA-N	540.539	3.610	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4[N+](=O)[O-])n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970576	TVJVIMVLMASALV-UHFFFAOYSA-N	529.557	3.772	10	10	KHCE	
CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCCN(CC)CC)[nH]1	1871558710	BXFTUCAPRVUNNU-UHFFFAOYSA-N	518.710	3.500	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2295838615	PZRAAVNPLCVHHY-FQEVSTJZSA-N	530.693	3.502	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12	2314399277	GPKARVOAEFDXMB-UHFFFAOYSA-N	635.768	3.900	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O	39989853	WBTRHQZRCHOLCE-JCMHNJIXSA-N	507.685	3.985	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c(C(=O)O)c1OC	59814994	NIMGJVSRVKULMT-NTEUORMPSA-N	523.386	3.711	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1Cl	101397734	LELMFGIGYIIEKI-WPQBYJDRSA-N	549.030	3.818	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1	101399153	IZKJYQGNZGPYEZ-KPEWDKKYSA-N	536.975	3.562	10	10	KHCE	
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCc3ccccc32)c2ccccc21	101442197	RTKHPUBHRNQSRU-ULJHMMPZSA-N	532.597	3.795	10	10	KHCE	
COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	103858635	QAGAZNPOJMIGAK-MLPAPPSSSA-N	528.142	3.974	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	1084030047	XTFCFGJXVJYGMY-NVNXTCNLSA-N	582.201	3.829	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864011455	URLSQAKMFLDNTK-HSZRJFAPSA-N	549.031	3.987	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864016965	AXKUJWNVVPQDOB-VWLOTQADSA-N	549.672	3.787	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867830701	BYQIIBXTHCYWQA-RPBOFIJWSA-N	540.621	3.811	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(C4CC4)[nH]n3)CC2)cc1	1868968114	JDLCSGJJXZYKNQ-SANMLTNESA-N	519.671	3.676	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873162253	MRPTUDNBXCCIAV-UHFFFAOYSA-N	567.734	3.760	10	10	KHCE	
O=C(O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br	2293438548	JIAZBVVUDPVDCP-UHFFFAOYSA-N	540.189	3.506	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	2295923766	UQIGRWYIHFKUNN-UHFFFAOYSA-N	513.550	3.937	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296946499	FSVFKGHXZDBANT-UHFFFAOYSA-N	579.748	3.966	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1C	20208405	AJFBIZQTRKXIEG-SCORJZKRSA-N	512.613	3.984	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	104709430	YPAHBTRIKMOWIZ-IMLOQERYSA-N	522.612	3.858	10	10	KHCE	
CC1=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC1=O	936069900	SZBBSPYCRZEOIN-QNKYKEDUSA-N	641.714	3.529	10	10	KHCE	in-vitro
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864011758	XTNXWEBTIXDEHG-RUZDIDTESA-N	514.582	3.719	10	10	KHCE	
C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865034108	PIHUUYLCNUQTKR-STXHMFSFSA-N	544.530	3.692	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(Cl)nn2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867273465	LZPBGQWUFNPVAS-XMMPIXPASA-N	568.973	3.811	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3snc4ccccc34)CC2)cc1	1869057240	LHEOFDNSPJDUNZ-RUZDIDTESA-N	516.623	3.700	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873170601	HMIXSTYLFCCBGO-UHFFFAOYSA-N	512.654	3.729	10	10	KHCE	
O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S	15044920	FYSRCGQAKFSIFJ-VBKFSLOCSA-N	515.451	3.897	10	10	KHCE	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1	32975410	PNCFVURNZRXHDL-HSZRJFAPSA-N	521.687	3.618	10	10	KHCE	
CC(C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	33339610	RUGYYEHGWKBICL-HMMYKYKNSA-N	509.632	3.770	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N	33812079	XGOLTOMMQSQRRN-CCRNYGKSSA-N	502.662	3.648	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)o3)CC2)cc1	38150045	MLWBCURTGMMMOS-UHFFFAOYSA-N	532.062	3.858	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c(O)c1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	101110676	LSXCMDXBCQZDPR-YVLHZVERSA-N	501.724	3.969	10	10	KHCE	
CCOc1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)cc1	102394230	UTANECPALCTGJZ-DOZBRYHWSA-N	574.746	3.901	10	10	KHCE	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N=C(S)N(c2ccccc2)C1=O	103129289	JSTDLNUYRZIXAW-BKUYFWCQSA-N	527.558	3.743	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1	254514896	VYRIJSTUVZANHV-RUZDIDTESA-N	505.640	3.653	10	10	KHCE	
Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C(=O)NC1=S	1084551588	WTLXMMWSSFDQET-QPEQYQDCSA-N	509.765	3.706	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5ccccc5OC)[nH]c4c3)CC2)cc1	1862080481	WTOODLAGELRMDZ-LJQANCHMSA-N	513.598	3.714	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OCC)cc1)=C(N)O2	1864014461	VMFYKXAFEQDMHD-QHCPKHFHSA-N	534.613	3.845	10	10	KHCE	
CSCC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867252542	FNBMDDQEBKZPGS-FQEVSTJZSA-N	528.590	3.946	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COc4cc(F)ccc4F)n(-c4ccccc4)n3)CC2)cc1	1869970470	KBYLSPJODRTXPX-UHFFFAOYSA-N	520.540	3.898	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)/C=C\c4ccc5c(c4)OCCO5)n(C(C)(C)C)n3)CC2)cc1	1869971109	XNHSJYQCUOMOIF-SDQBBNPISA-N	518.618	3.791	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873426199	WIFKSRZTSMOJGJ-UHFFFAOYSA-N	506.553	3.897	10	10	KHCE	
COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O	2296713712	SYZADAOEBKRIPD-UHFFFAOYSA-N	510.641	3.514	10	10	KHCE	
O=C(CCN1CCOCC1)NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	35519105	DQNUWKZCOMUCCL-QGOAFFKASA-N	511.547	3.920	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(Br)s3)c3ccco3)CC2)cc1	139434817	WQCRYUZIPZAXLD-SFHVURJKSA-N	526.478	3.954	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1	1084157663	XUFMGKNRYXMWBY-QFIPXVFZSA-N	544.446	3.766	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984486	RVJRVARDWGCPJN-RNWIMVQKSA-N	510.654	3.680	10	10	KHCE	
CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984758	UPALLRYEKDFUSH-YIXXDRMTSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864011355	SNIILYFLOKUFBJ-XMMPIXPASA-N	519.646	3.779	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864014280	RAWQHTNAKWRLJP-OYHNWAKOSA-N	532.984	3.796	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)=C(N)O2	1865030372	INSNBYAAFPBJNH-DEOSSOPVSA-N	534.613	3.563	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865030694	OUKQMVXEBZCBCG-MBSDFSHPSA-N	539.032	3.626	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@@H]2c1ccc(O)c(O)c1	1865034498	XWSQKKQCVGEDRF-LBCXTIRYSA-N	506.525	3.972	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)cc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865062443	PXHOHELGMLPIPH-VWLOTQADSA-N	547.656	3.565	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cnc(C)cn4)n(-c4ccccc4Cl)n3)CC2)cc1	1869969121	FRHLZRYQYRFZRO-UHFFFAOYSA-N	504.982	3.607	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873426285	YMIJEKNGHLAJRC-UHFFFAOYSA-N	515.570	3.527	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCCOC(C)C)nc12	2296731191	CADFJQCUOYFEQL-QGZVFWFLSA-N	502.662	3.610	10	10	KHCE	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	103567706	LPFYMSFVIKBMSV-UQJNUVEPSA-N	528.997	3.755	10	10	KHCE	
Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	105638812	LVQSHEUXPZQIDS-JJBLJPBOSA-N	543.717	3.851	10	10	KHCE	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)CCC(=O)NCC3)cc2)CC1	257183490	RRCPCMDDCLQFNE-RUZDIDTESA-N	504.675	3.988	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864020063	VGXBFFZTMLGJAJ-VWLOTQADSA-N	533.673	3.756	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCCc2ccccc2)=C(N)O3)cc1	1864023525	ZVKKVUHHLKDVBE-XMMPIXPASA-N	526.593	3.951	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865027419	XVMCKCRULMECBL-XMMPIXPASA-N	538.048	3.552	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029647	SANGUPZIZLQICN-NXMSCROESA-N	518.614	3.875	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccco2)C(C(=O)N2CCN(c4ccc(OC)cc4)CC2)=C(N)O3)cc1	1865316171	XBIGOWYSKWZJEH-XMMPIXPASA-N	541.608	3.741	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865387810	MAOQKYHQONDVOB-DEOSSOPVSA-N	516.646	3.549	10	10	KHCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1	1865665237	IMWQUHVDMHUYJS-LYBHJNIJSA-N	514.582	3.644	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1	1871663177	VAJSENSKPOPITD-JOCHJYFZSA-N	510.042	3.925	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1	1871664493	AVHHEOAFYCWGTG-UHFFFAOYSA-N	512.058	3.909	10	10	KHCE	
COc1ccc(C=C2C(=O)N(C)C(=S)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2295916656	WRDDSBNNEXAZEF-UHFFFAOYSA-N	511.559	3.665	10	10	KHCE	
O=C(CCN1C(=O)C(=C2SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1	2297312571	NUESQMZFQYKMGQ-UHFFFAOYSA-N	646.710	3.793	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccc(C)cc1	2297345655	POPUTMQHENWGMY-UHFFFAOYSA-N	526.596	3.624	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6354084	RLROIPQJSJNTAL-YJADQXIJSA-N	556.482	3.635	10	10	KHCE	
Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	96460806	DOMBUIJPLJOIFS-BJRGRWSZSA-N	512.613	3.853	10	10	KHCE	
N=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	102474893	ZKOMWFPRFCFRPX-FEGZGKEQSA-N	518.555	3.805	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC	1084428750	PSRDNLCQHAUIPQ-ZSOIEALJSA-N	506.296	3.592	10	10	KHCE	
CCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC	1860763314	DVMYLUABIIEICP-UHFFFAOYSA-N	503.621	3.612	10	10	KHCE	
COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864009012	XILKJXDCSGXKKN-AREMUKBSSA-N	542.592	3.799	10	10	KHCE	
NC1=C(C(=O)NCc2cccnc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864014994	HRBZWNXVSRDKBL-FQEVSTJZSA-N	537.498	3.767	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864015822	WKYJFIIRMUZJAH-INIZCTEOSA-N	508.884	3.846	10	10	KHCE	
NC1=C(C(=O)NCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc4ccccc34)c2O1	1864016079	ZSONVCPOEPIVGS-VWLOTQADSA-N	534.572	3.907	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865034729	CNEWDXHZQIMIGR-LNPFQXMTSA-N	539.032	3.889	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865035385	SBNQBCASCLJBCK-XMMPIXPASA-N	517.630	3.619	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867490463	QUFVBZYOWHCKJA-YYSPBGNDSA-N	639.753	3.506	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(C)n5C)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1	1869236800	INYZUHFYXPTOFQ-UHFFFAOYSA-N	560.106	3.896	10	10	KHCE	
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1	2313564851	BOQHBSONWOXETH-UHFFFAOYSA-N	501.495	3.774	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1	15047103	UJGXSDHUWXDXJO-CQLSMYGBSA-N	516.597	3.815	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4cccc(F)c4)c([N+](=O)[O-])c3)CC2)cc1	20663573	QDRPPPWMNLUJOB-UHFFFAOYSA-N	513.547	3.679	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	34877603	XWTIQIBHACHKLR-QTKYHAHDSA-N	522.652	3.738	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1	103100517	FUGOTFCAGCFBLA-WEKPXBEKSA-N	577.732	3.718	10	10	KHCE	
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3ON2CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	248075812	UEYVLINHPRRZIB-JFHPUIQFSA-N	573.738	3.508	10	10	KHCE	
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1861937840	UUKXYHWJOSLGMF-NDEPHWFRSA-N	501.627	3.713	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1	1861960817	XWEFMYGZWPBBBY-SANMLTNESA-N	508.018	3.673	10	10	KHCE	
CC[C@](C)(NC(=O)C1CCN(Cc2cccc(F)c2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861978527	IBKAUQHHRRVQJF-LJAQVGFWSA-N	510.654	3.680	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2OC)[C@H]3c2ccc(O)c(O)c2)cc1	1864007077	FRNKTVCSWBPEDC-VWLOTQADSA-N	528.565	3.620	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864011015	CVEUYEISEWMUDV-RUZDIDTESA-N	530.556	3.810	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011849	ZDWFKGLQRDGZDU-KSFYIVLOSA-N	525.005	3.879	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864017081	DXJVIWOXPOVCSX-WAIKUNEKSA-N	527.581	3.963	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCN(c4ccccc4)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865027032	DHDHBSVAPGMRHZ-HHHXNRCGSA-N	537.620	3.944	10	10	KHCE	
CCCN(CCC)c1cccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1	1868605161	USVQWEJSZANYIP-RUZDIDTESA-N	527.735	3.917	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	2296547617	MGPRMFCCTDWQIY-HXUWFJFHSA-N	524.668	3.776	10	10	KHCE	
Cc1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314600238	TXNUNFHWANIXOF-QGZVFWFLSA-N	525.073	3.659	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)O	2314935484	PMJUYRJRLKJFOU-GFCCVEGCSA-N	543.044	3.685	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1	1858592728	VTNVVKCTPFNUNA-LQOIVRHRSA-N	514.625	3.537	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3Cl)c2O1	1864014146	OCLQPIVLCHPKRF-JOCHJYFZSA-N	532.984	3.797	10	10	KHCE	
COc1c(Br)c(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC	1867444237	LBTUXIIIBDJPAV-VQTJNVASSA-N	686.442	3.738	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1	1868730989	XKYOYSUAXLIUAI-NDEPHWFRSA-N	559.663	3.571	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NCc4ccccc4)cn3CC(C)C)CC2)cc1	1870393962	UXFFMDXDBGUELL-UHFFFAOYSA-N	518.658	3.530	10	10	KHCE	
COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	102987216	GXKOJOOPSLPPSH-LTGZKZEYSA-N	540.667	3.604	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	105603611	YELZPWLIJRHIKH-HYXYVUPESA-N	566.705	3.769	10	10	KHCE	
CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	207328771	ZCDXUVZCIUEVEW-WMZJFQQLSA-N	580.711	3.653	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	526386769	DNDHTZZKBVJVIT-HHHXNRCGSA-N	517.582	3.924	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864015865	XJLPSBMMCTZWMZ-QGZVFWFLSA-N	538.910	3.803	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865029662	SJKYEPRTYKLZBJ-AREMUKBSSA-N	545.684	3.851	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865307497	PAUUGXSAPNOSDK-AREMUKBSSA-N	540.624	3.865	10	10	KHCE	
CCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867639211	MHWKFOSLUNAYES-KAYWLYCHSA-N	507.679	3.953	10	10	KHCE	
CCN(CC)CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1	1871549275	QWMBGLJEINPSOX-UHFFFAOYSA-N	518.710	3.555	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1O	2294118709	SAKWPXAAZYYANW-UHFFFAOYSA-N	506.296	3.624	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(CCCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	2297345884	KPEBXJMPRDAIEA-UHFFFAOYSA-N	507.597	3.732	10	10	KHCE	
COc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCN(c5ccccc5)CC4)s3)CC2)cc1	21880768	ONRJJJCUEQLGIV-UHFFFAOYSA-N	515.687	3.986	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3ccccc3C)CC2)cc1	1861922456	GCPHSCSJIWONQI-MUUNZHRXSA-N	515.610	3.619	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2	1864014187	PDKMDRSBKYDPBB-UUOWRZLLSA-N	534.613	3.554	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864022930	RRLZFDULSJKUSC-GOSISDBHSA-N	525.572	3.512	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2	1865029476	OFAWNVGBRQXSEM-DEOSSOPVSA-N	534.613	3.651	10	10	KHCE	
CCOC(=O)CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1865029792	VLKGZKDICHZNTA-RUZDIDTESA-N	534.613	3.545	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865029823	WASFBBNXPZPGFB-KSFYIVLOSA-N	525.005	3.567	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865033340	XNZROOUKVBLSHA-HSZRJFAPSA-N	538.048	3.747	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CC)CCc1ccncc1)[C@H]2c1ccc(O)c(O)c1	1865033572	CUKQEYRXMKZBFB-IBGZPJMESA-N	531.535	3.904	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514684	BVRQGYZMMGRMOB-GPOMZPHUSA-N	697.833	3.995	10	10	KHCE	
C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867757964	NHPCNQKBNIGMBY-GAJHUEQPSA-N	502.015	3.776	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1	1868986857	BSDQLWUTBCMODL-QHCPKHFHSA-N	525.650	3.529	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cc(C)ccc4OC)cc3)CC2)cc1	1872722816	TVZMRKAJJOHMHX-UHFFFAOYSA-N	525.627	3.541	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)CC1	1873162251	MNZQFVHNRLJULQ-UHFFFAOYSA-N	527.625	3.980	10	10	KHCE	
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc1C2=O	1873932167	CLOMYRNPFUMXDW-UHFFFAOYSA-N	502.435	3.782	10	10	KHCE	
Cc1cccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	2297345517	DOMBUIJPLJOIFS-UHFFFAOYSA-N	512.613	3.853	10	10	KHCE	
CCN(CC)C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21	2297509080	SMJYSSYHFJLYGO-UHFFFAOYSA-N	615.550	3.810	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC(C)C	2313556472	AHRJKASHVDVRRJ-UHFFFAOYSA-N	503.305	3.640	10	10	KHCE	
O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	97981089	AEAKGFLVKHMFOZ-UWNXQOIWSA-N	519.526	3.673	10	10	KHCE	
O=C1/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	100880596	HVUUQUPHPVNUJG-IPEVAPCJSA-N	551.669	3.540	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1	101398039	ZSHQRUJYTMDCPI-QNHLIMGLSA-N	537.392	3.788	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(Cl)c3)c2O1	1864015712	DGWURGZYLARLLE-HSZRJFAPSA-N	547.011	3.856	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1	1864016224	JWLCVXFPFJKDMW-HSZRJFAPSA-N	540.576	3.686	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864017605	PXCQUGAAIZFEIJ-QFIPXVFZSA-N	513.554	3.575	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865027588	JSCVMOQSCPVGOX-GAJHUEQPSA-N	525.005	3.703	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2	1865030520	LOAMKRDLDDCSLI-HSZRJFAPSA-N	528.650	3.789	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(Cl)cc1	1865084744	YMZBGKOQZVYLQH-HSZRJFAPSA-N	508.022	3.917	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(-c3ccccc3)cc2)N2CCCCC2)cc1	1867352404	BDMDRIOAPWLNTQ-VMPREFPWSA-N	514.670	3.854	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCCCN3CCCC3)C2=O)cc1	1873170611	HWEQXRRZCZDPQR-UHFFFAOYSA-N	503.691	3.734	10	10	KHCE	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	103920192	HXYQKAOTWYMWEN-HZHRSRAPSA-N	540.989	3.583	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)C(C)C)sc(C)c1-c1ccc(Br)cc1	1860759393	ZTHPXXZCUVTHKU-MRXNPFEDSA-N	511.394	3.827	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(Cl)c(OC)c(Cl)c3OC)CC2)cc1	1862059463	ROMOUOKUWDVGOZ-UHFFFAOYSA-N	510.418	3.876	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865027067	FDSCKXWCGVCYKO-MHZLTWQESA-N	543.668	3.823	10	10	KHCE	
C[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867286048	LOAKZFXCIZITPZ-ZDUSSCGKSA-N	506.440	3.886	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(C(C)(C)C)n3)CC2)cc1	1869194257	GBYOSNMBKIRWGE-AREMUKBSSA-N	518.637	3.926	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1	1871569858	XXRUYFVFIAYTMH-JOCHJYFZSA-N	510.042	3.925	10	10	KHCE	
CCc1ccc(OC(=O)COc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1	1872723218	KWQAVUYLIHRJCP-UHFFFAOYSA-N	510.612	3.753	10	10	KHCE	
COC(=O)c1ccc(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873165255	FAUSDXJYYLUJGV-UHFFFAOYSA-N	514.626	3.702	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCC3=CCCCC3)C2=O)cc1	1873170034	LZHJLLLHFDDRHU-UHFFFAOYSA-N	502.659	3.986	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cc(C)ccc4C)cc3)C(=N)N21	2297345483	BBKXDNROFAFRHN-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC	2313571088	NCYTUTTXXUKDIW-UHFFFAOYSA-N	506.296	3.592	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N	33811944	RHHOVBJWGQAFQV-UYRXBGFRSA-N	502.662	3.648	10	10	KHCE	
NC1=NC(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccc(Br)cc32)S1	102371803	LIMZQAYRBKVZJO-FOCLMDBBSA-N	525.306	3.752	10	10	KHCE	
CCOC(=O)N1CCN(c2c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	105644603	QYBUMDMILCXTEN-GNFOSXPUSA-N	551.694	3.806	10	10	KHCE	
CC[C@](C)(NC(=O)C1CCN(Cc2ccccc2F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861976451	HSWGGGUPIACAGR-LJAQVGFWSA-N	510.654	3.680	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cccn(Cc2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862026404	WROAHLBAQDTHCD-HHHXNRCGSA-N	516.642	3.543	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1	1864022528	NXBFJFZYAISZHW-GOSISDBHSA-N	525.572	3.656	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2	1865029130	GSKBNVCKPHNGKV-DEOSSOPVSA-N	502.615	3.960	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2	1865029911	YLKCWUIAIQJRQK-HXUWFJFHSA-N	533.412	3.688	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2	1865035562	WVXKIZWGJRSCGQ-DEOSSOPVSA-N	509.566	3.915	10	10	KHCE	
Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866666678	FIBHSUGLFAMCCG-QHCPKHFHSA-N	543.963	3.737	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867273563	BAECADFRXJKKEG-IAPPQJPRSA-N	548.599	3.532	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867423348	PUEUWAQQXJONEN-IZLXSDGUSA-N	561.727	3.856	10	10	KHCE	
CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1868138791	QAKPJHMHYYRIFF-UHFFFAOYSA-N	532.618	3.678	10	10	KHCE	
CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O	1873170316	VIAOHSZAOIYOBB-UHFFFAOYSA-N	522.646	3.811	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296285308	KLIFBTDVMGZMMK-UHFFFAOYSA-N	505.669	3.941	10	10	KHCE	
O=C(O)CCN1C(=O)C(=C[C@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	2296728719	IYBLIKVKNQMLRQ-MRXNPFEDSA-N	516.000	3.628	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N[C@H](Cc4ccccc4)C(=O)O)c4ccccc34)[C@@H]21	2297718098	FZKZPNLADYIFQF-FUFSCUOVSA-N	522.605	3.990	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N([C@H](CC(N)=O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	2314541595	OKIQLBHECHEIGX-MRXNPFEDSA-N	521.016	3.848	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O	2314935485	PMJUYRJRLKJFOU-LBPRGKRZSA-N	543.044	3.685	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015168	KYNHIZVKZLTWPT-IBGZPJMESA-N	532.519	3.848	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864017946	YZRJYEVIBQHBIB-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865033217	UVAKLNHEQDVDLR-WZONZLPQSA-N	539.032	3.957	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccccc3C(=O)O)CC2)cc1	1865437532	GTPXHJAIWPUBTE-RUZDIDTESA-N	545.640	3.598	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O	1867500153	XMWMEDWFFQCGFK-RMFLJMRMSA-N	625.726	3.636	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1	1868911453	DJQLBEHCOFLXDZ-UHFFFAOYSA-N	504.631	3.859	10	10	KHCE	
CC(C)COC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870848527	IJRQKUMLBIYFKW-UHFFFAOYSA-N	509.603	3.791	10	10	KHCE	
CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	2296845263	QUJTWHNNQYPTOO-UHFFFAOYSA-N	510.641	3.896	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OC(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1	2297346335	WVBCPPJXQKMGET-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
Cc1cc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)ccc1Br	2313548200	ONPMZDRDUDIDAO-UHFFFAOYSA-N	508.122	3.915	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC	2313559621	HVECWFWBULLWHD-UHFFFAOYSA-N	510.138	3.895	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	103485211	IKGLJHATQXEMBU-XNTDXEJSSA-N	547.417	3.946	10	10	KHCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1	103497075	PWTPZNXYNDTLCR-MNWRGJPZSA-N	529.556	3.790	10	10	KHCE	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	1084001900	GAXIFJZEASZXCV-JJIBRWJFSA-N	525.565	3.579	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCCOc3ccccc3Cl)CC2)cc1	1862227529	HSVQUVXVWJCUGL-JOCHJYFZSA-N	504.052	3.758	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012765	IVEHGBXADSHABD-QHCPKHFHSA-N	541.048	3.922	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864020020	UKMUFVRGDWQBSC-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1	1867923871	VJEIZAOSIJJKRA-NRFANRHFSA-N	515.035	3.534	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)c3ccccc3)CC2)cc1	1868603718	HQLHJOIMFVILCC-GDLZYMKVSA-N	578.625	3.904	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1	2296697826	PQZFVSCONSOABX-UHFFFAOYSA-N	519.696	3.589	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1cc(C)ccc1C	2297345086	PNXZOJAXEBPNID-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)C(=N)N21	2297345489	BKLISICXJPSIFV-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1	2297346006	VYYUNXLLEPCLOB-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(OC)cc4)cc3)C(=N)N21	104561155	UXKUWLCKGXPUKM-DWCAQMBTSA-N	528.612	3.554	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OCC)CC2)sc(C)c1-c1ccc(F)cc1	1860758966	PACTXJQRWKACQV-UHFFFAOYSA-N	505.568	3.715	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864016700	VQBDDCJBOVIZQO-JOCHJYFZSA-N	500.530	3.979	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864017519	ODHSQHGBYHLZPP-QHCPKHFHSA-N	530.556	3.988	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864017914	YHGJTLHVOKMYNE-RUZDIDTESA-N	542.592	3.874	10	10	KHCE	
COc1ccc(N2CCN(c3nc(N)c([N+](=O)[O-])c(N4CCC(Cc5ccccc5)CC4)n3)CC2)cc1	1871315544	QTNUAMXTODJKBZ-UHFFFAOYSA-N	503.607	3.761	10	10	KHCE	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	96577299	ICNYBXXFBJLSLV-WHNPURCTSA-N	524.646	3.949	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CN4C(=O)S/C(=C/c5ccccc5F)C4=O)CC3)=NC2=O)cc1	100353060	SLZJFJLJLDBGCO-BILXGNRESA-N	566.636	3.685	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019677	ORMUKEFHYXBKSH-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2	1865025522	ATSDITAJYMBYEK-AREMUKBSSA-N	541.583	3.774	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865029389	MFXPFJZQAHYYRO-XMMPIXPASA-N	520.630	3.860	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)cc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865057883	KXEAFQCVQGRTJM-VWLOTQADSA-N	547.656	3.709	10	10	KHCE	
COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCN(c4ccc(OC)cc4)CC3)nc(O)n2)cc1	1868618053	SHPCKKNVHWPBIJ-GDLZYMKVSA-N	567.646	3.556	10	10	KHCE	
O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	2296697820	PBXBAMFHKARIIT-UHFFFAOYSA-N	516.652	3.837	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cccn3-c3cc(C(F)(F)F)ccc3Cl)C(=N)N21	2297346865	QQJHZTVLMGNCTE-UHFFFAOYSA-N	501.899	3.771	10	10	KHCE	
COc1ccc(C=C(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2C)c2ccccc2)cc1	2331398859	SKLWZQJGVUTIEE-UHFFFAOYSA-N	524.625	3.760	10	10	KHCE	
CCOc1ccc(C(=O)NC(=S)Nc2cc(OC)c(OC)cc2N2CCOCC2)cc1Br	20496655	SDSJNQSMTGCTFI-UHFFFAOYSA-N	524.437	3.828	10	10	KHCE	
COc1cccc(OCCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	104559133	PJWMHBUHXFOSHO-RQFVJUFOSA-N	537.623	3.740	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865029425	MYMBGLJBIIFYBY-QHCPKHFHSA-N	538.048	3.748	10	10	KHCE	
Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C	1867575442	FDBWHBFYDYAVTE-BVRKHOPBSA-N	611.743	3.604	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867908574	WPDMHUHCXLIEDE-KMRXNPHXSA-N	571.678	3.604	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1	1868807212	STTCFMGIHCSDPV-MUUNZHRXSA-N	524.621	3.969	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3csc(-c4ccncc4)n3)C(C)C)CC2)cc1	1868906859	WAZRCGZYWRRADR-RUZDIDTESA-N	507.660	3.636	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	100880733	OHKDOQJDRAEYOV-CKMDTHJYSA-N	565.696	3.849	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1	101266736	QOOUGJXIMGNCPZ-ZCQLHAAUSA-N	526.752	3.925	10	10	KHCE	
COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1	102760474	JJHNQZHLLWYBCQ-OGOSQDPWSA-N	533.610	3.785	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	102835205	AEVVHZNLQCDCHY-VXNZKSKFSA-N	504.678	3.533	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1OC	103612638	ABDHKSYGTIJELY-QPTFLMPZSA-N	543.561	3.994	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCOc3ccc(OC)cc3)c2C(=O)OC)cc1	1860764057	XUSZLKINSPJQDP-UHFFFAOYSA-N	597.690	3.900	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012674	GHVTZHVVVGHMPI-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3C)CC1)=C(N)O2	1865030024	ALMMFIIRKYQIPG-RUZDIDTESA-N	531.657	3.614	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N(C)CCO)[C@H]3c2ccc(O)c(O)c2)c1	1865032161	WZBAJZHCCYMPIZ-VWLOTQADSA-N	540.620	3.772	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1	1868934305	FTHKZRBMWNNOJP-NDEPHWFRSA-N	561.589	3.759	10	10	KHCE	
Cc1sc2nc1CC(=O)N[C@@H](CCCCNC(=O)CC(C)(C)C)CC(=O)N1C[C@@H](NCc3ccccc3O)C[C@H]1C(=O)N1CCC2CC1	2080399452	TUCOSVRQMMLHCX-YCVJPRETSA-N	680.916	3.776	10	10	KHCE	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C	2294034645	PRYFITQAEUHCLJ-UHFFFAOYSA-N	503.515	3.851	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c(OC)c1	2294244535	UZKACOSJROAADZ-UHFFFAOYSA-N	519.579	3.949	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OCC)cc1	2310830	DGQAKNDVROYUPF-MKWGYRPRSA-N	535.666	3.749	10	10	KHCE	
Cc1cccc(C)c1OCCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1	96459908	BXQACZXYNSFZGF-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(OC)cc4)cc3)C(=N)N21	101395491	UXKUWLCKGXPUKM-COGBYSKYSA-N	528.612	3.554	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc([C@H]3CCCO3)s2)sc(C)c1-c1ccc(F)cc1	1860767027	UBXIKYZXNWKXOU-CQSZACIVSA-N	504.565	3.741	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1	1864016954	ATPHXOJEMUIWCX-HSZRJFAPSA-N	535.645	3.533	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864022089	KNSQRLMHQMFDJV-SFHVURJKSA-N	520.483	3.967	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1865034317	TVKNLBKMBXBUFU-HXUWFJFHSA-N	540.498	3.601	10	10	KHCE	
CCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)c1	1865240464	AOCGJWMPIBVSPZ-RUZDIDTESA-N	517.630	3.662	10	10	KHCE	
CCC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868597422	YDFCAGCGFIPTQC-VWLOTQADSA-N	522.671	3.907	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1	1868944158	ULUBTKJESNKALF-MNNSJKJDSA-N	531.653	3.979	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3Cc3ccccc3C)CC2)cc1	1870477889	FFOMBVGQEPKMDG-UHFFFAOYSA-N	519.642	3.866	10	10	KHCE	
CCOC(=O)[C@H](C)N1C(=O)SC(=Cc2cc(Cl)c(OCC(=O)OC)c(Br)c2)C1=O	2293986899	CKMTXEBKLORNMA-VIFPVBQESA-N	506.758	3.642	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1	2297346464	JOXWOLZCMZHWOL-UHFFFAOYSA-N	536.035	3.776	10	10	KHCE	
CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O	2297461117	ZVDCQPUCZBRNCX-QGZVFWFLSA-N	510.641	3.596	10	10	KHCE	
CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2cc(Br)ccc21	40845319	JQYBTHZSGQNFLE-PFONDFGASA-N	508.806	3.995	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2	1864011843	ZDRVHKARYORFQP-JOCHJYFZSA-N	506.603	3.972	10	10	KHCE	
C[C@@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866845361	ZAFIHGLOZYIMEQ-SJORKVTESA-N	588.667	3.504	10	10	KHCE	
CC[C@](C)(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866878421	KRLHFICAHGYNDP-PBYQXAPXSA-N	509.562	3.739	10	10	KHCE	
CCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868645665	WIXNDXNQYKQWNF-DEOSSOPVSA-N	508.594	3.974	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(-c6ccc(Cl)cc6)n5C)CC4)nc(C)n3)CC2)cc1	1869294928	SDNANBAIWWLZRN-UHFFFAOYSA-N	560.106	3.896	10	10	KHCE	
O=C1C(=Cc2cccs2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	2314828800	KRIBWZGQLBRCRB-KRWDZBQOSA-N	565.764	3.749	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@@H](CC)C(=O)O	2314933685	CIHZPJBVEMFDNN-INIZCTEOSA-N	531.568	3.782	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1	101965826	DQBYWACIGBJDFS-HMAPJEAMSA-N	539.660	3.753	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCN3CCOCC3)nc12	102825697	HYHMJSIAXXRWNP-WXNAFCGMSA-N	535.695	3.709	10	10	KHCE	
CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3ON2CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	248075823	UEYVLINHPRRZIB-OJDZSJEKSA-N	573.738	3.508	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015211	MEJGXAIBGKUSBQ-HXUWFJFHSA-N	546.546	3.906	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2OC)=C(N)O3)cc1	1864021677	FJQPMHAVOPMUFZ-QHCPKHFHSA-N	528.565	3.527	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865469771	YOECQMQKEMETGO-XMMPIXPASA-N	546.628	3.816	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc4nc(O)c(C)cc4c3)CC2)cc1	1868810240	VIEBTWFNABFBTJ-LJAQVGFWSA-N	554.647	3.582	10	10	KHCE	
O=C1C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc2N1Cc1ccccc1	2038109069	QIYVEBQVGZKBGM-OAHLLOKOSA-N	549.493	3.754	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@@H](C)O1	575417422	RDYXRPGVNWOQLW-CAWPJHANSA-N	765.768	3.581	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	725413672	JGQRGFBBFTXLFO-HHHXNRCGSA-N	565.692	3.670	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864013276	UWHRSYNSJPPQEQ-HSZRJFAPSA-N	524.593	3.670	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1	1864017783	VDAQVOAYCZFYEH-QFIPXVFZSA-N	516.554	3.984	10	10	KHCE	
COc1cc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC	1867801439	AWCZOPXLAICXRV-QHCPKHFHSA-N	541.649	3.530	10	10	KHCE	
Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	2296203234	CDMDMOKTLQOQOA-UHFFFAOYSA-N	525.034	3.924	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314829314	XLSWCVWJTJYQBF-HGHGUNKESA-N	560.719	3.829	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1	207324571	JUDSAVFIPBBHGS-FSEGOYHTSA-N	512.725	3.535	10	10	KHCE	
CCCCOc1ccc(NC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	585200989	XSNCPBJVHWKBNW-UHFFFAOYSA-N	504.653	3.538	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864007145	GRTQWAGQDCEVCJ-XMMPIXPASA-N	522.602	3.618	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864011359	SNKZWVMMJBNLFC-QHCPKHFHSA-N	506.603	3.862	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012786	JBVWLPUWSREUND-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864017567	PBRQEJZCNMTPNA-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867078839	UXIZFFLNSFGWAM-YAZRVPCTSA-N	559.644	3.649	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867830699	BYQIIBXTHCYWQA-JWQCQUIFSA-N	540.621	3.811	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	2297469369	ZWDWFNYRQVXCPI-QGZVFWFLSA-N	533.610	3.703	10	10	KHCE	
O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1	2297559094	MGTPMZAVPRCRTB-UHFFFAOYSA-N	500.248	3.711	10	10	KHCE	
CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	2313559168	SIMSZRHSEFBBOI-UHFFFAOYSA-N	680.233	3.808	10	10	KHCE	
CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	33524693	HNGFCTDXTGQSRD-DEDYPNTBSA-N	510.641	3.896	10	10	KHCE	
O=C1/C(=C\c2c(Sc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	100850897	IRXVOWAWTUTOFC-SWEABUAFSA-N	550.108	3.887	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526602395	PLSWOZOYOBCYLB-HHHXNRCGSA-N	501.583	3.911	10	10	KHCE	
Cn1cc(S(=O)(=O)N2CCN(C3=NC(=O)/C(=C/c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)S3)CC2)cn1	606630093	OEEQMFAJGDBZSM-STZFKDTASA-N	545.731	3.698	10	10	KHCE	
COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1	1862261967	XZXPSDVXCKIIJF-VAACGYSUSA-N	513.594	3.701	10	10	KHCE	
CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2	1864010175	JIKHHSLXDCIYRI-LJQANCHMSA-N	513.392	3.829	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@H]3c2ccc(O)c(O)c2)c1	1864016089	HLISOHKNVGSAQZ-DFBJGRDBSA-N	540.620	3.818	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865026290	LTCXWBWAQNDGJH-RDPSFJRHSA-N	539.032	3.763	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3Cl)CC1)=C(N)O2	1865030160	DQOBYKYWYDGXEM-HSZRJFAPSA-N	538.048	3.964	10	10	KHCE	
CCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)c1	1865250438	GRHWQHASXSVQGH-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
CCc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)cc1	1865502090	OYRPEQYIWVHFLZ-DEOSSOPVSA-N	501.631	3.597	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868942878	UPJZWDQXYQSVFV-QHCPKHFHSA-N	511.573	3.621	10	10	KHCE	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)CC2)cc1	2296730253	MKVSNMZLLLNHIG-QFIPXVFZSA-N	577.732	3.718	10	10	KHCE	
C[C@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(CO)cc1	2333190711	GGYJWDMIACSQCA-VQIMDNCTSA-N	895.027	3.877	10	10	KHCE	
CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@@H]3C2=O)cc1	248058874	POFBZVKJJPHBJM-OKUYAMHMSA-N	542.592	3.739	10	10	KHCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526603111	IUJMEVMZFVSPKY-HHHXNRCGSA-N	501.583	3.911	10	10	KHCE	
COc1ccc(-c2cc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(O)n2)cc1	1866624653	MTWOMYAQJPGQHE-UHFFFAOYSA-N	536.544	3.780	10	10	KHCE	
CC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867251817	SWNSWUOFDHDDHT-SFTDATJTSA-N	587.434	3.793	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(-c4cccnc4)n3)CC2)cc1	1868003919	ACNSUXUDKIKHCD-UHFFFAOYSA-N	508.630	3.595	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1	1868631474	LVNMGINKNRPJEI-XMMPIXPASA-N	500.555	3.633	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CCc3cnc[nH]3)CC2)cc1	1870341877	HSNSZOQEEYWRTG-UHFFFAOYSA-N	517.605	3.863	10	10	KHCE	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ncc(Br)cc1Br	2297511388	HCMNKGLDUJGNET-UHFFFAOYSA-N	500.534	3.839	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N4CCc5ccccc5[C@@H]34)CC2)cc1	9680352	NGCJBAIPSQRBHS-WDYNHAJCSA-N	527.621	3.898	10	10	KHCE	
Cc1cccc(C)c1OCCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1	20207878	NNIMJPBQMIVYFY-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COS(C)(C)C(C)(C)C)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1	150351297	VEQFJZMHMSPBRO-NBZIXRDRSA-N	757.777	3.523	10	10	KHCE	in-vitro
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@@H]2c1ccc(O)c(O)c1	1865033952	LSRZHPLONPBWGT-GOSISDBHSA-N	516.476	3.843	10	10	KHCE	
NC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1865034413	WASURWKRIJHYAV-SFHVURJKSA-N	515.492	3.795	10	10	KHCE	
CN1CCN(C2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)CC1	1867283187	NVWGXGYROGBCLA-NZAOONQGSA-N	578.713	3.934	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868656994	HDGDYMILDHCRKV-RUZDIDTESA-N	520.630	3.843	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868816229	GZZMZMJLDUJMHG-XZWHSSHBSA-N	560.670	3.581	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1	1873170758	OZOBBPFWOVRORW-UHFFFAOYSA-N	512.610	3.787	10	10	KHCE	
Cc1ccccc1OCCn1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	2297345017	HXVDJWFARDGNPS-UHFFFAOYSA-N	507.597	3.650	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N21	20206832	RXYVXJKHHMKWDN-YZQMTWDLSA-N	519.004	3.809	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3F)CC2)SC1=S	105635027	OMMKJYLXLWCWIO-XQNSMLJCSA-N	555.701	3.659	10	10	KHCE	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1C	213201101	OHNNRVDXQFCSDY-SYERDGIWSA-N	541.676	3.800	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864014004	LFFCITMWRPMOJP-DEOSSOPVSA-N	520.630	3.965	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1	1864016911	ACTNWJXSGNOUOO-QFIPXVFZSA-N	513.554	3.573	10	10	KHCE	
O=C(Cc1ccc(N2CCOCC2)cc1)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866906804	CLDVQZZAHAEMSD-SSEXGKCCSA-N	589.648	3.913	10	10	KHCE	
C[C@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867403227	CLROPUANXAGLNP-FDDCHVKYSA-N	501.469	3.977	10	10	KHCE	
Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1	1867547416	QTCHZCAWSQGNNJ-BVRKHOPBSA-N	611.743	3.604	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1	1868769609	YDEWBIADXWNNIS-PMERELPUSA-N	553.663	3.893	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc32)n1	1869120575	KZLKWEXIIHIMLM-UHFFFAOYSA-N	505.619	3.712	10	10	KHCE	
CC(=O)NCCN1C(=O)C(NCc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873165686	UERBXXQYMSJWOK-UHFFFAOYSA-N	542.636	3.665	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1	1874643091	RXTLLWRAHNMBMI-AREMUKBSSA-N	526.593	3.595	10	10	KHCE	
CN(C)C(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I	2079232207	PXOBMVRXVHZLNC-UHFFFAOYSA-N	507.172	3.981	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O	2313558245	WLPTXQLJWFPKKG-UHFFFAOYSA-N	514.101	3.731	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccc(Br)cc4)o3)CC2)cc1	8597184	CZKCSWRWLLEBMY-UHFFFAOYSA-N	519.417	3.987	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1	104562480	SVGYUUABEQASMF-SREDRKHISA-N	540.623	3.952	10	10	KHCE	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(N(C)C)cc4)c(=O)n32)cc1	254797811	ICNYBXXFBJLSLV-MHZLTWQESA-N	524.646	3.949	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864015661	UUQAJUQCTAZFLN-LJQANCHMSA-N	532.519	3.517	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864019266	XNGCWONHKUONKH-HSZRJFAPSA-N	549.031	3.656	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3C)CC1)=C(N)O2	1865037333	NYWRRHIXHQUDOR-AREMUKBSSA-N	545.684	3.860	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1	1871505096	RPBXUDNEVQOBCL-UHFFFAOYSA-N	513.650	3.873	10	10	KHCE	
CCN(CC)CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1	1875234375	MNSULVBXMCNNFX-UHFFFAOYSA-N	531.661	3.797	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	20208351	FFPBIYOSEUDDBO-NYSGOHGYSA-N	519.004	3.809	10	10	KHCE	
Cc1ccc(Sc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	100850888	VDLQQQKRMAEURF-BRFSQIRFSA-N	529.690	3.542	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N21	104562510	IDTYWMWCDJSVDN-QNHLIMGLSA-N	520.976	3.800	10	10	KHCE	
CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110523672	LIQIFJIIOIHAJM-BFURNPMBSA-N	532.688	3.508	10	10	KHCE	
O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(S(=O)(=O)O)cc2c1	888088083	XRBNWBONDUAVJJ-UHFFFAOYSA-N	554.536	3.560	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864012945	MQYLMOVZNWAIGC-YKSBVNFPSA-N	518.614	3.593	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864013187	RVMJIJUEVIGVRK-OAQYLSRUSA-N	503.584	3.704	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(F)c3)c2O1	1865032206	XVXLJRUBBUUZOO-DEOSSOPVSA-N	542.567	3.702	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cc(Cl)ccc1O	1865212916	UBKZZNZRHBCKKF-HSZRJFAPSA-N	524.021	3.622	10	10	KHCE	
COc1ccc(CN2C(=O)C(NCCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873170385	XLCWFOMMZSXLQX-UHFFFAOYSA-N	528.653	3.695	10	10	KHCE	
COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1	2297477469	SMEMWYUMWRNGEY-UHFFFAOYSA-N	509.653	3.803	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OC(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	101399111	UVYAZMBIMCYSRO-BRKMNUETSA-N	547.014	3.888	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864008841	SYUCSLCKFKMYSJ-XMMPIXPASA-N	500.530	3.801	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864013279	UXHMWLBGLAWJDR-VWLOTQADSA-N	533.673	3.756	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(Cl)c3)c2O1	1864014750	BOXYOKGNKNRURI-KRWDZBQOSA-N	520.895	3.988	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864022777	YCCRXKHYLNYJFV-HSZRJFAPSA-N	506.603	3.575	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865577624	UJVDZHMDYNMJTL-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1	1871718035	VPYXLYHTTUALCN-UHFFFAOYSA-N	501.566	3.829	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c(C)c1	2313547950	HFJRKPLYBONVSR-UHFFFAOYSA-N	504.459	3.589	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S	102438930	XAYHQAPGTUQOSW-HEHNFIMWSA-N	521.668	3.641	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	102582004	TVNNQPIHKDVTGK-BQNPTPDXSA-N	547.706	3.710	10	10	KHCE	
COC(=O)C1CCC(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1	1616182616	FAZZWQLUKPEFCV-DVZOKEKYSA-N	514.626	3.884	10	10	KHCE	
CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(CC(=O)NCC(=O)O)C1=O	1858595986	LKGMFIUOCARYNG-UUILKARUSA-N	520.942	3.532	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(Cc2ccccc2)C(=O)[C@@H]2CCCN2)n1	1869124459	QQONSRAQXNEAFK-VWLOTQADSA-N	500.647	3.659	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	2314399318	NELLYTCHIDXVMC-UHFFFAOYSA-N	593.731	3.734	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1	504752030	BSXNYQMPWNKHDV-HHHXNRCGSA-N	616.715	3.632	10	10	KHCE	biogenic
CCCn1ncc(N2CCC(C(=O)N(CCCOC)Cc3ccc4c(c3)CCCN4CC)CC2)cc1=O	581778803	BIYJXJKTCQHHQY-UHFFFAOYSA-N	509.695	3.708	10	10	KHCE	
CCc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	1860826153	BMAKCZMOODWLSQ-JTKIUVGSSA-N	509.609	3.669	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cc(C)n(-c4cccc(Cl)c4)n3)CC2)cc1	1861885587	VUSXOSWXDTZWLA-RUZDIDTESA-N	508.022	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3cc(OC)ccc3OC)c3ccccc3)CC2)cc1	1862238693	HTYNWTIMRDWPQT-BCGVSBSESA-N	515.610	3.932	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007478	NTPXEOJPSDSHGU-HSZRJFAPSA-N	518.595	3.716	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864010882	QCYGEXGYUYAJIX-HSZRJFAPSA-N	549.031	3.987	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865027326	GSIHCFUHVLCUTO-RUZDIDTESA-N	547.011	3.961	10	10	KHCE	
CCOC(=O)CCOc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870453416	RVWQWPZSILHZHW-UHFFFAOYSA-N	523.605	3.699	10	10	KHCE	
CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2F)C(=O)N2CCc3ccccc32)c2ccccc21	2297359096	RTKHPUBHRNQSRU-UHFFFAOYSA-N	532.597	3.795	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC	2313560985	OJAHCUNOZBQKIK-UHFFFAOYSA-N	573.206	3.902	10	10	KHCE	
CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	2365424890	SRMYPORDCSMVOH-DHIUTWEWSA-N	504.539	3.527	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N4CCc5ccccc5[C@H]34)CC2)cc1	9676459	NGCJBAIPSQRBHS-FQLXRVMXSA-N	527.621	3.898	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccccc1F	101399645	NQUWSQHNEMYPRX-YWNLSASSSA-N	544.586	3.701	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)C2=O)cc1C	103891268	MWLVICHAUOFUQG-MLPAPPSSSA-N	588.139	3.885	10	10	KHCE	
O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O	210968992	TVNQBFRAFBKOFJ-MHWRWJLKSA-N	522.507	3.914	10	10	KHCE	
O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)NCc1cccc(F)c1	643588937	MZEZEVJTQDLOCO-UHFFFAOYSA-N	533.644	3.781	10	10	KHCE	
CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O	1866618202	QSOQIDZUDSCYTA-QGZVFWFLSA-N	537.572	3.861	10	10	KHCE	
CC[C@](C)(NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868908292	GNYWWKZECUMGEA-MHZLTWQESA-N	507.660	3.780	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4Cl)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1	1871714659	ZTISSESVYQDLAO-UHFFFAOYSA-N	518.021	3.765	10	10	KHCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCN1CCN(C(=S)Nc2ccc(C(=O)OCC)cc2)CC1	2296649565	JXKMAHPTQHMSAQ-UHFFFAOYSA-N	566.703	3.993	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	2297345824	GIVGANKUGDMDLD-UHFFFAOYSA-N	512.613	3.636	10	10	KHCE	
CNc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	103849124	LJPDBEOMPITSJL-SDQBBNPISA-N	591.118	3.743	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N21	104562534	TXZBBOSCONAANM-ZONBJCHQSA-N	526.596	3.642	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(C)cc1	254349363	MNSGDDFUNIDOQN-SANMLTNESA-N	519.667	3.962	10	10	KHCE	
CCCOc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1862062485	HZWWGGSJUJEXSF-NDEPHWFRSA-N	517.626	3.880	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864010602	OTNDUERFTDTBMI-HSZRJFAPSA-N	506.603	3.518	10	10	KHCE	
NC1=C(C(=O)NCc2ccccn2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864015632	TUJVFAOSFPDETI-FQEVSTJZSA-N	537.498	3.767	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3cccc(C)c3)CC2)cc1	1865567119	VUBLZRMJGMATAS-HXUWFJFHSA-N	527.547	3.799	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)C(C)C)CC2)cc1	1868645008	GRWHTERRPBNLKC-SANMLTNESA-N	508.594	3.830	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(C(C)C)n3)CC2)cc1	1869105577	JLHPYSZPMFNKDK-SANMLTNESA-N	504.610	3.752	10	10	KHCE	
CCCCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873581272	FXDOXTJAYGQEMX-UHFFFAOYSA-N	507.683	3.638	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	2296849780	RVOVFVNHDQGRQF-QUCCMNQESA-N	522.652	3.529	10	10	KHCE	
Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1	20208007	XWNLMAUVFKHZAK-YMINWEEVSA-N	519.004	3.727	10	10	KHCE	
O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	101282997	SFYUVWUSVSJSEB-ODGFMFMFSA-N	545.104	3.958	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccccc1	104560370	UZTZTNGFWLCQLE-NLPPSYTOSA-N	528.612	3.554	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@H]3CCCO3)nc12	110074747	RKFLQKGDPNBKTB-AREJXAQWSA-N	588.715	3.797	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1	1864017911	YFKFDPCUNNMDOM-QHCPKHFHSA-N	535.645	3.533	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020431	YVJHDFRXWNBIHY-QFIPXVFZSA-N	535.004	3.597	10	10	KHCE	
Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(OCC(=O)O)c(Cl)c2)C(=O)NC1=S	2313563463	WTLXMMWSSFDQET-UHFFFAOYSA-N	509.765	3.706	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	103811673	BHWZDILTQUEXBZ-WQRHYEAKSA-N	525.319	3.739	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	150448683	JINZDXVURDZMCG-OZULLVLRSA-N	658.849	3.726	10	10	KHCE	
O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)NCCOc1ccccc1	643589248	SRCRZYOBZUQVCX-UHFFFAOYSA-N	545.680	3.520	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1O	1084231340	VJWCKCWMYVYOCP-TWGQIWQCSA-N	530.169	3.896	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)NCCc2cnc[nH]2)sc(C)c1-c1ccc(Br)cc1	1860758532	MIOOXXXWVLMKEH-UHFFFAOYSA-N	505.394	3.683	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864015705	DDIFCOZTZWMWJJ-XMMPIXPASA-N	543.599	3.521	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@H]2c1ccc(O)c(O)c1	1864022726	QDMWQEWXOHAEDY-FQEVSTJZSA-N	541.530	3.878	10	10	KHCE	
C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C1	1865034069	OEOVAJLVVLFJJX-UGSOOPFHSA-N	515.492	3.650	10	10	KHCE	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867897771	HMMHTBQCUKIVKN-SBUREZEXSA-N	502.015	3.776	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(C(C)(C)C)n3)CC2)cc1	1869175561	FQASDXZHOFYXOE-UHFFFAOYSA-N	508.711	3.658	10	10	KHCE	
O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCc1ccco1	1870982415	QOSSMJQQCZRDCF-UHFFFAOYSA-N	502.571	3.875	10	10	KHCE	
COC(=O)c1ccc(C=CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1	2331396603	UOJMBOIOEXCCLF-UHFFFAOYSA-N	518.618	3.807	10	10	KHCE	
C/C(NCCN1CCN(C(=O)C(C)C)CC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	100079855	HQABAESNPYASFX-GFMRDNFCSA-N	516.671	3.711	10	10	KHCE	
CCOc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862174373	NUOJGBLVDIAIBD-SANMLTNESA-N	517.626	3.549	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864012612	FEVVRDDMRWSDLK-DEOSSOPVSA-N	527.581	3.651	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864022368	MIUIVPYMQJPFST-IBGZPJMESA-N	532.519	3.785	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865035861	ATDGJLHQJMTSHA-VWLOTQADSA-N	531.657	3.552	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865602674	LMIJUQIVRUIKSL-RUZDIDTESA-N	539.640	3.600	10	10	KHCE	
CC(C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866602938	ACFMXVMNECKOTP-UHFFFAOYSA-N	561.550	3.998	10	10	KHCE	
N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	2296052881	ODSMYELMZXUJDP-UHFFFAOYSA-N	503.584	3.776	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21	2297345498	BYYRUVXWVPRKOH-UHFFFAOYSA-N	527.584	3.821	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O	248172839	XLIXOPQTSMHWLF-DHMIZTNRSA-N	520.969	3.879	10	10	KHCE	
O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)NCc1ccc(F)cc1	643589232	RWCKFFCOYCCKSQ-UHFFFAOYSA-N	533.644	3.781	10	10	KHCE	
O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	1084538169	IDEDHCAYDHDTQA-XGICHPGQSA-N	558.566	3.995	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2nc4ccccc4[nH]2)[C@H]3c2ccc(O)c(O)c2)cc1	1864008449	KNXSKWIHMYYZEQ-VWLOTQADSA-N	522.565	3.788	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864018258	GXZCACYFCMNBSJ-RUZDIDTESA-N	544.583	3.934	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864018741	BPDGFWOOOGKHMM-VWLOTQADSA-N	533.673	3.838	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864019874	QZXJYKBVWHKPOI-XMMPIXPASA-N	520.630	3.923	10	10	KHCE	
CCCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866856208	HABWPNXNMCYHIV-QFIPXVFZSA-N	519.504	3.992	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCc3ccc4c(c3)OCCO4)c3ccccc3)CC2)cc1	1868730993	XMJOTASTGXLRHW-SSEXGKCCSA-N	529.637	3.995	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	2297505137	MDBCIWYPEWNOHB-MRXNPFEDSA-N	609.476	3.994	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)C(=Cc2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1	2314600138	JUDSAVFIPBBHGS-CQSZACIVSA-N	512.725	3.535	10	10	KHCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCN1CCN(C(=S)Nc2ccc(F)cc2)CC1	19848247	MSQOYENOYXFFQM-NKFKGCMQSA-N	512.630	3.956	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	20208163	QHRJICMHUSSBKK-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O	100468670	PPDNRDQHUFBCHN-RGEXLXHISA-N	524.532	3.761	10	10	KHCE	
O=C1/C(=C\c2c(Sc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	100850899	IRXVOWAWTUTOFC-MPMPPSQCSA-N	550.108	3.887	10	10	KHCE	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)C2=O)cc1C	101512791	PRBHGMVPJNPMBG-WOJGMQOQSA-N	559.376	3.585	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	110523075	PXNCIPPBNIPGOB-KQWNVCNZSA-N	555.701	3.752	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCCN2CCCC2)[C@H]3c2ccc(O)c(O)c2)c1	1864012291	WWUWJHODAZCBJN-MHZLTWQESA-N	545.684	3.955	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864013037	OQLWRLYCLWRFFM-XMMPIXPASA-N	546.603	3.532	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865033285	WBOWUEUHJNCBRC-SANMLTNESA-N	540.620	3.621	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(CC(=O)OCC)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1865034855	GINMBOIPWRZLSX-XMMPIXPASA-N	534.613	3.553	10	10	KHCE	
CCOc1ccc(Nc2nc(=NCc3ccco3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871529710	INZDNCOAMPRSQK-UHFFFAOYSA-N	501.591	3.976	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873166706	FNTQQHDSMKPOJC-UHFFFAOYSA-N	516.617	3.825	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1O	2313548859	HNOJMGWMPNRRRO-UHFFFAOYSA-N	557.138	3.743	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)O	2313560864	JNBMHRJGNLWSGX-UHFFFAOYSA-N	568.174	3.740	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1	101965823	DWPIAMXURMJXKS-STZFKDTASA-N	525.633	3.966	10	10	KHCE	
COc1ccc(OC)c([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)c1	103074666	RWMBSEKOWIVESJ-MUUNZHRXSA-N	594.112	3.848	10	10	KHCE	
CCC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997132	QJOBRYYPJSMPCV-KCWPFWIISA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2	1864014421	UWYGGKFGQTZDAA-VWLOTQADSA-N	525.609	3.993	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@H](C)C[C@@H](C)C2)=C(N)O3)cc1	1865033453	AFQPGHUDZDPTEI-MCFFVMPBSA-N	504.587	3.706	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c2nccn2C)cc1	1866022597	AZDQIWZQIFYYNB-QFIPXVFZSA-N	524.419	3.531	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)cccc21	1867291433	MPVOXKVUMNCAQB-DEOSSOPVSA-N	577.559	3.929	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1	1868583773	QDVQHTHSMYVRKH-GDLZYMKVSA-N	526.637	3.891	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1	1868905606	FFZRAMVTSIXGSM-XMMPIXPASA-N	539.727	3.733	10	10	KHCE	
COc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccc(Cl)cc2)cc1	1869970491	LANDPIOXKMUAMO-UHFFFAOYSA-N	519.005	3.939	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	2296845178	ABUOKFAWPCTNEH-UHFFFAOYSA-N	519.696	3.855	10	10	KHCE	
Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	3129776	ZZBSJMUWMXICSD-UHFFFAOYSA-N	506.518	3.721	10	10	KHCE	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	101377775	KTVDEJUVDNFNOY-WATSXHCISA-N	562.692	3.580	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1	101965109	VEWUTNWYCSOEHX-RSFAQHHSSA-N	534.999	3.795	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(NC(=O)CCN3CCOCC3)C2=O)cc1	110570416	MWTOBKSWFATVLW-HAVVHWLPSA-N	549.678	3.503	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864016810	XVUQDPYTMJTLSO-OYHNWAKOSA-N	532.984	3.796	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865029721	UFQKONWRMZQDBB-QHCPKHFHSA-N	539.032	3.815	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865031621	KWRUWXPBULNUJD-XMMPIXPASA-N	524.577	3.563	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccccn3)CC2)cc1	1865372700	ZSKPXGYLTGWTGG-AREMUKBSSA-N	522.609	3.628	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)C(C)C)CC2)cc1	1868742580	NSRCXFUVTUHYSG-HHHXNRCGSA-N	543.730	3.646	10	10	KHCE	
Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	2297468637	DIMBBPLXLIAAAP-UHFFFAOYSA-N	525.034	3.924	10	10	KHCE	
CCN(CC)c1ccc([C@H]2N(C(=O)N3CCOCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1	59074391	JXFKMMVKXDXQDT-VWLOTQADSA-N	500.665	3.689	10	10	KHCE	
CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	100241464	SDZMQYJEBCOAMM-VGOFMYFVSA-N	584.242	3.905	10	10	KHCE	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1CCS(=O)(=O)O	110556936	CEDGYPCQQXLDKM-HAVVHWLPSA-N	618.784	3.803	10	10	KHCE	
CCCCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858662267	ATAHNAFOKRKIKI-UHFFFAOYSA-N	519.579	3.779	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2	1864009641	JHESEMIVUJSZTK-VWLOTQADSA-N	515.614	3.804	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1c[nH]c2ccccc12	1865367544	SKBWSPQDZBNMLI-VWLOTQADSA-N	512.614	3.745	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(F)c1	1865546999	ZPYZAMGEUUMWGB-XMMPIXPASA-N	505.594	3.793	10	10	KHCE	
C[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867095839	ISOKHKNTGNWXKD-CQSZACIVSA-N	514.488	3.898	10	10	KHCE	
COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O	1873165661	SXJLVRNRIJCUOC-UHFFFAOYSA-N	528.653	3.695	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1[N+](=O)[O-]	1873420979	AILGWWLHLHFYKI-UHFFFAOYSA-N	503.559	3.765	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2296545457	RXQIUDLJDRSYBA-IBGZPJMESA-N	526.621	3.836	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	100849996	YGRQKHYLEQZASW-KGENOOAVSA-N	567.668	3.822	10	10	KHCE	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	101377771	KTVDEJUVDNFNOY-AZVXTCMLSA-N	562.692	3.580	10	10	KHCE	
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	105638815	QAHCQAKPJMIHFS-VXIUPONVSA-N	543.717	3.851	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1	1862171437	JJWFBIAGVHNDCZ-XMMPIXPASA-N	511.688	3.930	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864017626	QGCCGBYHRFESQM-RUZDIDTESA-N	542.592	3.744	10	10	KHCE	
Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn12	1867042751	WHOOZQPHIUELFG-QHCPKHFHSA-N	582.617	3.708	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867134699	SFTQVSZBHSYYIC-LJQANCHMSA-N	515.547	3.799	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H](C)C3CCCC3)CC2)cc1	1868874126	ATMCEGBJSNSYSB-LYZGTLIUSA-N	521.658	3.823	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(C3CCCCC3)C2=O)cc1	1873164511	FRZSKDVEWNBKJT-UHFFFAOYSA-N	532.666	3.944	10	10	KHCE	
Cc1cccc(C)c1OCCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1	2297345920	NNIMJPBQMIVYFY-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	33856788	ABUOKFAWPCTNEH-PXLXIMEGSA-N	519.696	3.855	10	10	KHCE	
CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	143301632	OILJNMGCBWUTCZ-HMAPJEAMSA-N	570.693	3.786	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864006974	BYKRSNUFTWCYGG-NRFANRHFSA-N	541.395	3.675	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1	1864016735	WLMIKQXRWNEVOL-QHCPKHFHSA-N	519.646	3.914	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)c1	1865028078	OZWXTCVBAUDVNO-ATLLOTDBSA-N	518.614	3.598	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1	1868934304	FTHKZRBMWNNOJP-MUUNZHRXSA-N	561.589	3.759	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	1874643432	XZMUXJZMLWZILQ-HHHXNRCGSA-N	527.581	3.775	10	10	KHCE	
CCOC(=O)COc1c(I)cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	2296909358	AGICJWCUHXIDCK-UHFFFAOYSA-N	564.332	3.746	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N21	2297345704	TXZBBOSCONAANM-UHFFFAOYSA-N	526.596	3.642	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC	2314765103	UWBVRIYPFRCNMK-UHFFFAOYSA-N	513.641	3.879	10	10	KHCE	
CC(C)c1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326941553	MYOGOBFIOLDPLT-UHFFFAOYSA-N	509.609	3.841	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6353973	XNCXIVLZBWRCND-ZNQKWNQWSA-N	532.449	3.877	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3OC)C2=O)cc1	103813862	RVKFQLXXLRVCJQ-ZSOIEALJSA-N	604.138	3.579	10	10	KHCE	
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858991759	FDFVOAWCDWGXBO-UHFFFAOYSA-N	533.606	3.677	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864007515	OLGRXDLVJAHVBE-VWLOTQADSA-N	535.645	3.533	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015030	IKTJXUGQMFTBTJ-ACJLOTCBSA-N	502.493	3.971	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864016923	AIQXBFLKZDUUKL-VWLOTQADSA-N	531.657	3.841	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018337	IXKVRSRXSHGKMV-QFIPXVFZSA-N	527.021	3.794	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865032643	HRJFSUUCNYGSNU-QHCPKHFHSA-N	538.048	3.748	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865033305	WOHDXKSPINFYHD-ZCCHDVMBSA-N	525.005	3.830	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865037302	NSVJOAQEEZGGIS-SANMLTNESA-N	540.620	3.925	10	10	KHCE	
CCC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867262961	YRYWLLLMPTXGIR-HSZRJFAPSA-N	522.561	3.967	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867279565	QLCQPTXSTFWVTM-PQHLKRTFSA-N	590.636	3.751	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867791340	OTRHBJYEJRSEPO-GGXMVOPNSA-N	580.730	3.739	10	10	KHCE	
CCCCCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870675940	LTGZMOJEUYBWNM-UHFFFAOYSA-N	510.679	3.761	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1	2297346042	YNJXNMAKWVHRKT-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N21	96459910	KCMPIBKWLVENQQ-NYSGOHGYSA-N	519.004	3.809	10	10	KHCE	
Cc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(CC(C)C)SC5=NC4=O)cc3)nc2s1	96484461	FLUYWZWOFJYXEI-ALRRYEELSA-N	507.601	3.704	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	100849993	QMUMPVJLTBIQSO-RCCKNPSSSA-N	567.668	3.822	10	10	KHCE	
CCOC(=O)N1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)CC1	101426152	PPMWAKFXCLGRFW-UHFFFAOYSA-N	555.591	3.873	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	103518939	JKFZZNOEXFQAJO-OCEWKHMESA-N	535.666	3.662	10	10	KHCE	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(sc(=Cc3ccc(N4CCOCC4)cc3)c2=O)=N1	1084128812	NQYMWXUADDVMRN-MUUNZHRXSA-N	554.647	3.850	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1	1861910023	MKOPMCDPLYAZAX-VWLOTQADSA-N	520.561	3.741	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2	1864014185	PDKMDRSBKYDPBB-KOSHJBKYSA-N	534.613	3.554	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1865028491	WCQCYZBBMWIPHL-QFIPXVFZSA-N	512.994	3.561	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2	1865030094	CFVQKUAXQXBQPM-RUZDIDTESA-N	540.624	3.812	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(C)c1	1865559911	HZRWSNKMNCSAPQ-VWLOTQADSA-N	501.631	3.962	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)N2CCCCC2)cc1	1867516400	XCLUHIIMBGDZQF-MUUNZHRXSA-N	559.711	3.755	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793444	RPARBACXLLSHQP-GGXMVOPNSA-N	612.797	3.692	10	10	KHCE	
COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)n2)C[C@H]1C	1869364349	ZKYNCHBZXVZPIY-DNQXCXABSA-N	531.705	3.809	10	10	KHCE	
CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1	1873425544	DUPXIIHYPNPUAO-UHFFFAOYSA-N	542.636	3.795	10	10	KHCE	
Cc1ccc(-n2c(C)cc(C=CC(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2C)cc1	2053589388	DYCOUOAQFVOBFN-UHFFFAOYSA-N	508.600	3.857	10	10	KHCE	
CCC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	2296663359	FBKCZIRZUACWRV-MRXNPFEDSA-N	511.836	3.964	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	2296731380	SLVGJIKYFXUXPK-UHFFFAOYSA-N	509.632	3.771	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21	2297345805	DVFDPDJCUFUAAI-UHFFFAOYSA-N	513.557	3.574	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCc4ccccc4C3)nc12	2297497806	MNKGZVMURXKTHW-HXUWFJFHSA-N	518.664	3.946	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	2313683103	RSMDVMMIKRGMCU-UHFFFAOYSA-N	523.546	3.673	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314828760	HLVSCNFAKHWYRA-ZTNFWEORSA-N	548.683	3.959	10	10	KHCE	
COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	1084439897	OOFOAJGLQXUVTD-XGICHPGQSA-N	525.109	3.795	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccc(O)c(O)c1	1864016416	OOKPHJMUNRMCDU-HSZRJFAPSA-N	526.549	3.721	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1	1865033583	CYIYJNNQKGTTAQ-QFIPXVFZSA-N	504.587	3.943	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3[N+](=O)[O-])CC2)cc1	1865616711	REDFQUVNFDUJLN-VWLOTQADSA-N	546.628	3.808	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=N)N21	2297345539	GBIFMORSKGCTKY-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	33339608	MEUUZNBUUJYCPO-CAPFRKAQSA-N	509.632	3.771	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cc(Cl)ccc3OC)c3ccco3)CC2)cc1	38619865	TYMMRJMFYLXIIE-JOCHJYFZSA-N	512.994	3.568	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	101013537	XQXLCZNJYQQTTH-ZKFYFQMZSA-N	616.812	3.958	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1	101965112	VEWUTNWYCSOEHX-BZMUBCNJSA-N	534.999	3.795	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1	585200437	FHROBCQTUDIHQS-UHFFFAOYSA-N	501.436	3.666	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4nc(-c5ccccc5O)[nH]c4c3)CC2)cc1	1861890679	RHRPTAGWJQZBND-UHFFFAOYSA-N	513.598	3.801	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2	1864011845	ZDRVHKARYORFQP-QFIPXVFZSA-N	506.603	3.972	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2	1864018837	RSLCBBURQOSLBQ-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCCCOc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC	1867681195	XDVIWQGRMOQOCH-RRPNLBNLSA-N	554.732	3.764	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)Cc3ccc4c(c3)OCCO4)CC2)cc1	1868606822	QLPCQINRMZIUSN-HHHXNRCGSA-N	561.704	3.776	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3OCC(=O)N(C4CCCCC4)[C@@H]3c3ccccc3OC)CC2)cc1	1891876748	YPEYUNRBLOGPLU-VSGBNLITSA-N	507.631	3.654	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)cc1	2294118741	WSTPZUJMIGJLDS-UHFFFAOYSA-N	588.139	3.830	10	10	KHCE	
NC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCC4)c3)S2)CC1	2314477022	ZXBUBHALGXJMJV-UHFFFAOYSA-N	604.758	3.882	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O	104032666	JLUNDIVVCWHDNH-MHWRWJLKSA-N	539.729	3.523	10	10	KHCE	
[N-]=[N+]=NCC(=O)Nc1c(I)cc(I)cc1I	109305773	PSCXIQPZVAZKPB-UHFFFAOYSA-N	553.867	3.749	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865431023	WAFVVWGMQBXSED-SANMLTNESA-N	544.700	3.881	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3cccc(F)c3)CC2)cc1	1865551281	WNQQZPMBGGHJDX-LJQANCHMSA-N	531.510	3.630	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1	2297345871	JSOVKNSYKDWWQM-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	2297346087	CEQDVAIXUVTJQS-UHFFFAOYSA-N	507.597	3.732	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)n2)cc1	2314913666	PLXPVKVUMMWZFJ-UHFFFAOYSA-N	548.668	3.978	10	10	KHCE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	2221197	KZWBLHDEBPMJQA-IWAJPKQASA-N	522.944	3.956	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	100849980	KFDCTDOXMHKPEF-PXLXIMEGSA-N	579.704	3.691	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1	101398912	KGYWSNCHNYPRHS-GSROUWSESA-N	542.639	3.863	10	10	KHCE	
CCc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862278146	QLSRSVDHHMQDOM-HHHXNRCGSA-N	501.627	3.713	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864010381	LVDNETBRNYXERQ-VWLOTQADSA-N	531.657	3.923	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031672	LUXQBBIHNUGZDK-GOSISDBHSA-N	500.477	3.928	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1c(F)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865150040	XETNPLZQRTWZLG-HSZRJFAPSA-N	526.012	3.827	10	10	KHCE	
COc1c(Br)c(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC	1867444238	LBTUXIIIBDJPAV-WOJBJXKFSA-N	686.442	3.738	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867603394	PEVYLRKDBSLDLU-SVBPBHIXSA-N	557.761	3.756	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2295927471	SNMNLARYWGQSAN-UHFFFAOYSA-N	515.909	3.811	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S	2296696739	YJDBGUKYCKONLL-UHFFFAOYSA-N	521.668	3.641	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	2296705095	PIFQAPPCUBXCDR-UHFFFAOYSA-N	556.113	3.912	10	10	KHCE	
COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O	33893720	IHNWAGFJXLWAIS-CAPFRKAQSA-N	510.641	3.595	10	10	KHCE	
O=C1/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	101061762	XHBYZLPAHIXJOK-HNEYUBDGSA-N	534.040	3.529	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101911353	HLVSCNFAKHWYRA-CFNYCBHXSA-N	548.683	3.959	10	10	KHCE	
COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864008744	RENLMUJMHJYBFW-AREMUKBSSA-N	542.592	3.549	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccccc3F)CC2)cc1	1865069602	XVLUZGDZISXREL-IBGZPJMESA-N	531.510	3.630	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cc(C)ccc1O	1865196155	DNGWYGGYEJDEOV-VWLOTQADSA-N	517.630	3.668	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3cccnc3)CC2)cc1	1865388118	LSWSSBPJLDVNTC-HHHXNRCGSA-N	536.636	3.936	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cccc(Oc3ccccc3)c2)N2CCCCC2)cc1	1867700858	JGENVNKAPRQVPK-VMPREFPWSA-N	530.669	3.979	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1	2296845284	UQHOKAOCDZWYFS-UHFFFAOYSA-N	519.696	3.589	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S	2314399285	HWBLMSQAFBOYHP-UHFFFAOYSA-N	607.758	3.682	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@H](C)O1	2314476821	WOLYEVZDZNCMBT-SFTDATJTSA-N	593.731	3.640	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@]3(OC(=O)c4c(C(=O)NCCCN=[N+]=[N-])cccc43)[C@H]2C=C1	2333074731	UJIRBDGHKAQZRJ-JMFZDZGDSA-N	514.586	3.989	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(Br)cc4)o3)CC2)cc1	40321153	ZKHOUJYKRKGJNT-UHFFFAOYSA-N	505.390	3.846	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1	101399398	IOBXAHKKFNBZLK-ADKREUBMSA-N	542.639	3.800	10	10	KHCE	
Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	1860826333	DLATWYJHSZTCJW-ANNUQZOISA-N	509.609	3.723	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864010084	OXDBFBFVPMZOHS-RUZDIDTESA-N	522.565	3.522	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865026981	UZZUXUCRXBBMCY-XMMPIXPASA-N	538.048	3.552	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865027388	XJWVBAYCVANPMS-NTKDMRAZSA-N	539.032	3.763	10	10	KHCE	
Cc1ccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(O)c(O)c3)CC2)cc1	1865028957	BZYUZYOWYYGOKX-SANMLTNESA-N	531.657	3.606	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865029783	VFIFBGQKQMFHGW-XMSQKQJNSA-N	525.005	3.567	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(Oc5ccccc5)cc4)[nH]3)CC2)cc1	1871512140	HHBJVJJQYFUWQP-UHFFFAOYSA-N	513.602	3.569	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1	1871670887	OGKRBIIBOCQESE-UHFFFAOYSA-N	505.667	3.638	10	10	KHCE	
CC(C)c1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	2297499263	MCKQOZIHUHTOLW-UHFFFAOYSA-N	512.613	3.889	10	10	KHCE	
C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)C[C@@H](C)O1	2314401185	VIULRJNUPWCRDY-HDICACEKSA-N	506.653	3.752	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1F	35963764	ULTWXCXTTCTIMR-RUZDIDTESA-N	522.577	3.648	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	40316693	SPPPRXRMJPYRMV-DHIUTWEWSA-N	525.509	3.724	10	10	KHCE	
CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110528855	AZFJYWSULBXAME-XLNRJJMWSA-N	559.758	3.817	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1OC	150630212	XGSWWJUZZDTDOF-QTCLYGBFSA-N	652.776	3.839	10	10	KHCE	
CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862006774	VGJJOZMMICHLHO-NVQXNPDNSA-N	513.082	3.804	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@H]2c1ccc(O)c(O)c1	1864020961	JHWYFXLBEICVBO-QHCPKHFHSA-N	506.603	3.773	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865035077	KQPXOQKPCPSHGT-WAIKUNEKSA-N	506.578	3.997	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1	1868790586	MOFPJHVEPWOVHT-QFIPXVFZSA-N	523.703	3.841	10	10	KHCE	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O)NCc1ccccn1	958317886	WQQCKUYRTNEYAM-DQEYMECFSA-N	540.664	3.909	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864013764	FQYMNARDRZBFCD-HSZRJFAPSA-N	506.603	3.719	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864014375	SZOUXYNTJIPOSL-VTEOSLQHSA-N	536.673	3.797	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864017414	LPMZVUVTLFHSQW-HSZRJFAPSA-N	500.530	3.996	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1	1864022148	UQKCGRGTKCJMTC-HSZRJFAPSA-N	534.613	3.700	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865030934	VNPPQZCWNSKFID-BWKNWUBXSA-N	532.641	3.590	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1	1868987674	GJZDHXDPIVDLCQ-MUUNZHRXSA-N	557.626	3.724	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C[C@H]3CCCCO3)CC2)cc1	1869043183	HOTVRQGQOZGBAD-CLJLJLNGSA-N	511.688	3.721	10	10	KHCE	
COCCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870989655	OLBJHSFMIAUJPZ-AREMUKBSSA-N	520.630	3.867	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1	1873169992	KGZNVFFBCYRSBF-UHFFFAOYSA-N	567.734	3.760	10	10	KHCE	
[N-]=[N+]=NCCCCCNC(=O)c1ccc(-c2c3ccc(=N)c(S(=O)(=O)O)c-3oc3c(S(=O)(=O)O)c(N)ccc23)c(C(=O)O)c1	2049382407	NCXUXLAGKWHVRM-UHFFFAOYSA-N	644.644	3.668	10	10	KHCE	
CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	2294134120	UKMCAULVTYTNOQ-UHFFFAOYSA-N	520.323	3.982	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3)nc2s1	2297350743	KYRFDCJHDKMADW-UHFFFAOYSA-N	507.601	3.568	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1O	2313559276	VJWCKCWMYVYOCP-UHFFFAOYSA-N	530.169	3.896	10	10	KHCE	
CC(=O)c1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1	17413942	ZPBZGZKHVGORRL-HVIPQOSHSA-N	596.688	3.540	10	10	KHCE	
Cc1cccc(NC(=O)[C@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1C	1860827149	UAFGFJFLUIADFA-ANNUQZOISA-N	509.609	3.723	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCCOc3ccccc3)CC2)cc1	1862224730	ZDTUNQWVTHRMNK-NDEPHWFRSA-N	517.626	3.636	10	10	KHCE	
CC(C)OCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015063	IWUGYMYPPIOLBA-SFHVURJKSA-N	518.492	3.538	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2	1865025727	CLZDDTQOGBMLSL-YWTKSJFSSA-N	506.578	3.989	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2	1865032981	OXZXJMVZOZMELV-WAIKUNEKSA-N	504.587	3.950	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc(C)c(Br)c3)C(C)C)CC2)cc1	1869029532	PMKFMVMRVACLFG-DEOSSOPVSA-N	502.453	3.798	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)C(=O)C4)nc(-c4cccnc4)n3)CC2)cc1	1869374251	GCBWNPZNWUDBEY-UHFFFAOYSA-N	521.625	3.727	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1	2297301752	LWTBGNBGWMRJGE-UHFFFAOYSA-N	534.437	3.979	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4C)c(OC)c3)C(=N)N21	2297345707	UKWRCLGEZISBJW-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
COc1cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1Oc1nc2ccccc2n2nnnc12	2297578151	LXYXLOKZEJUIGZ-UHFFFAOYSA-N	507.510	3.552	10	10	KHCE	
O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1	2313785421	MHNKEUYFALRFDB-UHFFFAOYSA-N	544.593	3.839	10	10	KHCE	
COc1ccccc1C=C1SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	2314831184	FHPXDOWEHLQWJT-UHFFFAOYSA-N	519.670	3.743	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)c3ccco3)CC2)cc1	49486589	LQRWEZFJHUWDSM-QFIPXVFZSA-N	516.520	3.925	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864018793	QUPIHLCBOWEKAM-QHCPKHFHSA-N	524.593	3.670	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865034731	CNEWDXHZQIMIGR-VBURHUQHSA-N	539.032	3.889	10	10	KHCE	
Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Br)cc1	2297346094	CKFPXGHYSAEQLD-UHFFFAOYSA-N	547.412	3.598	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(I)c(O)c(I)c1	2313559193	SYIRKAUMXOQTQT-UHFFFAOYSA-N	594.143	3.572	10	10	KHCE	
CC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	2331920331	UXIZFFLNSFGWAM-XMMPIXPASA-N	559.644	3.649	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1	38619871	FEHAZGRPKPDSNG-JOCHJYFZSA-N	516.520	3.925	10	10	KHCE	
CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990340	ZNEHGGSDUQMENR-RGEXLXHISA-N	502.662	3.885	10	10	KHCE	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1	101441413	NXEWRJXHTCGJOS-LDADJPATSA-N	519.457	3.729	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	101731106	SOWSQMAWAQLNBD-QGOAFFKASA-N	587.514	3.542	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	103708629	DNQFFPJGGLVIMK-WHNPURCTSA-N	575.691	3.763	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865029731	UHWSKRPHNXEYHP-YADARESESA-N	518.614	3.694	10	10	KHCE	
NC1=C(C(=O)N2CCCC[C@@H]2CCO)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1865031587	KHRFILGIQMHXRB-UZLBHIALSA-N	544.530	3.760	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3cccc(F)c3)CC2)cc1	1865551280	WNQQZPMBGGHJDX-IBGZPJMESA-N	531.510	3.630	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867276857	WFPDVEYEDPRDNG-XTEPFMGCSA-N	550.590	3.965	10	10	KHCE	
COc1cccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867386591	ICBRNEVHKIECIF-FTJBHMTQSA-N	512.720	3.956	10	10	KHCE	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867917436	IYNPAXOVHCHIPJ-JWQCQUIFSA-N	512.720	3.956	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@H](c3ccc(F)cc3)C2=O)n1	1869225094	BDQDKEGHDGZWES-HHHXNRCGSA-N	504.610	3.581	10	10	KHCE	
CCOC(=O)CCOc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870878074	YRUDBEDDGIOQOA-UHFFFAOYSA-N	520.630	3.868	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873168334	RQNXGPOJTUTZAD-UHFFFAOYSA-N	544.656	3.671	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc(Cl)c1OC(=O)c1ccccc1	2297345878	KCTYFHREESHGCA-UHFFFAOYSA-N	547.014	3.968	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N(CC)CC	40939858	UWBVRIYPFRCNMK-RCCKNPSSSA-N	513.641	3.879	10	10	KHCE	
COC(=O)[C@@H]1Cc2cccc(S(=O)(=O)N3[C@@H](C)CN(c4ccc(OC(F)(F)F)cc4)C[C@H]3C)c2C1	95496293	DFHCYTYRLVDRPW-SOLBZPMBSA-N	512.550	3.761	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@@](C(=O)O)(c3ccccc3)[C@@H]2C1=O	247946132	ZQDOKSMZTDQQJN-CQUCHYGKSA-N	514.578	3.956	10	10	KHCE	
CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1	1860709094	KFRLJIGYXDJTQA-UHFFFAOYSA-N	510.664	3.859	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864012613	FEVVRDDMRWSDLK-XMMPIXPASA-N	527.581	3.651	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865029424	MYMBGLJBIIFYBY-HSZRJFAPSA-N	538.048	3.748	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2	1865032940	OIJCYXUMXKDMJP-NRFANRHFSA-N	544.439	3.621	10	10	KHCE	
CSCC[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O	1865987596	XBMLCNLELJBATA-JWQCQUIFSA-N	508.688	3.814	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@H]5C4)nc(-c4cccnc4)n3)CC2)cc1	1869370341	LFJYDRAGSBDYMW-MUUNZHRXSA-N	565.653	3.959	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1	2297460380	BLCCBHNAESKOIX-UHFFFAOYSA-N	549.678	3.683	10	10	KHCE	
COc1ccc(CCNc2c(/C=C3\SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC	40066570	YCORNTMFRGOGIH-MTJSOVHGSA-N	512.657	3.847	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N([C@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	101974620	JUAYGWLUCJZDJD-VHOOHCLJSA-N	561.037	3.729	10	10	KHCE	
NC1=NC(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)c3ccc(Br)cc32)S1	102371817	OTNUDOXYDYSSJM-FOCLMDBBSA-N	525.306	3.752	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864008433	KEZZJFAEBFFQCF-QFIPXVFZSA-N	512.994	3.871	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3Cl)c2O1	1864016857	YTPNSNVDSAGFAA-QHCPKHFHSA-N	547.011	3.856	10	10	KHCE	
O=C(CCCC(=O)c1ccc(Br)cc1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866797517	ILWXMLZCYXXOJL-QFIPXVFZSA-N	563.404	3.693	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868754676	WXQQQFTZKFNWMW-LJAQVGFWSA-N	503.647	3.960	10	10	KHCE	
CCN(CC)CCNC(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1871310140	MIUMUWYLGAAESD-UHFFFAOYSA-N	548.648	3.535	10	10	KHCE	
CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1	1871538643	KYKMXUIGDAOJFV-UHFFFAOYSA-N	505.623	3.515	10	10	KHCE	
COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c1	2297345640	ODPVWHKCFMWQFM-UHFFFAOYSA-N	529.644	3.759	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3OC)nc2s1	2297350788	UPTPRECNUISXFV-UHFFFAOYSA-N	537.627	3.576	10	10	KHCE	
CCCOc1ccccc1C=CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1	2330935325	WWEWQGWIZNAHFU-UHFFFAOYSA-N	523.611	3.907	10	10	KHCE	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)c(C(=O)O)c1	111342801	BXHJDVXJHWGGDE-WHEOYJBGSA-N	521.511	3.759	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864013053	PCFHHVUJKPPEOB-XMMPIXPASA-N	520.630	3.921	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865027018	DAWYHFSUPMTUJK-FPTDNZKUSA-N	545.423	3.824	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]2c1ccc(O)c(O)c1	1865035508	VUDJDUJLWZSIIZ-DEOSSOPVSA-N	534.613	3.563	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2	1865035563	WVXKIZWGJRSCGQ-XMMPIXPASA-N	509.566	3.915	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccc(C)cc3)CC2)cc1	1865188526	OFKIPVBMOQDWTC-FQEVSTJZSA-N	527.547	3.799	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCC(C)C)cn3Cc3ccccc3)CC2)cc1	1870423484	YUFHNKICHRDPDY-UHFFFAOYSA-N	519.642	3.805	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2296541964	YKQHFYJQDCCGFI-IBGZPJMESA-N	539.660	3.699	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	2296907843	DXBLJTKQGAAISD-UHFFFAOYSA-N	563.705	3.991	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCCOc1ccccc1	2297345510	DEAMJADLBLZORG-UHFFFAOYSA-N	542.639	3.800	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S	15047582	ZUNBVOPHUWWBEA-RMENWYJGSA-N	503.671	3.860	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)N=C2S1	20208504	RBFPIJJUXCRREO-YLKZWASYSA-N	502.961	3.571	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4ccccc4OC)c4ccccc34)C(=N)N21	101395152	FRRPTDMOGVKGNP-UIBINATQSA-N	537.623	3.740	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1Cl	104563379	FDIAGOXWDWQFKC-SQNBBMAZSA-N	547.014	3.968	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864020168	WQZMUTNFVJQNNG-VWLOTQADSA-N	533.673	3.674	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)cc1	1864021639	QWNSBBGBEJPGSH-QHCPKHFHSA-N	534.613	3.845	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865033072	RFFYHQQUVWYFFV-JOCHJYFZSA-N	541.004	3.606	10	10	KHCE	
CC[C@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868914976	OMXDCHNVYBZPPR-VWLOTQADSA-N	504.631	3.859	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(CCCc5ccccc5OC)CC4)nc(C)n3)CC2)cc1	1869293121	RABBTMZPVHBQCZ-UHFFFAOYSA-N	516.690	3.884	10	10	KHCE	
CC[C@H](C)c1ccc(NC(=O)COc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1872629692	JRWYGEJITJRFHF-IBGZPJMESA-N	507.591	3.501	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)CC1	2297460056	GBTIDBNJHMJRCZ-UHFFFAOYSA-N	512.657	3.618	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	2314399412	YGRQKHYLEQZASW-UHFFFAOYSA-N	567.668	3.822	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1	101398839	GPYVRXWBPPGFGL-NLPPSYTOSA-N	528.612	3.554	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864014258	QPTAXUZIQRNPBR-DEOSSOPVSA-N	514.582	3.846	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865032892	NLWRPJVXJIYCPS-HSZRJFAPSA-N	538.048	3.747	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865397919	GDZKDQLLFWPVFJ-SANMLTNESA-N	536.636	3.882	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2)N2CCCCC2)cc1	1867603113	KGNBVFSXTZUOFG-WDYNHAJCSA-N	577.751	3.939	10	10	KHCE	
CCOc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccc(OC)cc2)cc1	1869969591	FXKWBYRXLJSVNY-UHFFFAOYSA-N	528.613	3.684	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(OC(C)=O)cc4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1	1869969674	IMQNSYPFTWGXPS-UHFFFAOYSA-N	526.597	3.510	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(I)cc(I)c2O)SC1=S	2313533020	LIGMPGLQPZFWDK-UHFFFAOYSA-N	517.151	3.823	10	10	KHCE	
COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1	2332105123	AJQAAONTPYTUSM-UHFFFAOYSA-N	507.484	3.889	10	10	KHCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCN1CCN(C(=S)Nc2ccc(C(=O)OCC)cc2)CC1	33354778	JXKMAHPTQHMSAQ-QQTULTPQSA-N	566.703	3.993	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)cc1	104558921	CBKFAQLTDWWITC-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499508	BIRNPCZYZHVTHI-DBXPASCUSA-N	571.655	3.911	10	10	KHCE	
CCN1CCN(c2c(/C=C3\SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1	110521133	NHDRZZHBENDFDE-UQQQWYQISA-N	581.764	3.651	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	256044988	XLSWCVWJTJYQBF-JQJFPCJJSA-N	560.719	3.829	10	10	KHCE	
COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526600811	DTDABJDIYZPKDS-HSZRJFAPSA-N	505.479	3.737	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1	1861957001	WJNISLXOWGCCLG-ZOYLIWTNSA-N	500.555	3.823	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cc(OC)ccc1OC	1865231949	GXVQJKJBPFYMSX-SANMLTNESA-N	547.656	3.671	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(Cc4ccccc4)n3)CC2)cc1	1867947580	VOPJKXXVJJJRBI-UHFFFAOYSA-N	501.631	3.746	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1	1869065150	XVNUZSIYKADFOK-HHHXNRCGSA-N	539.636	3.789	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3CCNC(C)=O)CC2)cc1	1870489827	HZQXFIBZMOSWEE-UHFFFAOYSA-N	518.658	3.511	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=N)N21	2297345497	BYTRGZFOAVPPBN-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)o2)cc1	34990119	HMGFPGZQOJITHC-KEBDBYFISA-N	500.579	3.724	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C	101397437	MWRBQWANXGAFRL-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864010142	ILZQNTQZEVVZTI-AREMUKBSSA-N	527.625	3.898	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011852	ZDWFKGLQRDGZDU-ZHRRBRCNSA-N	525.005	3.879	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864017919	YJVJBJDIEGKZHW-QHCPKHFHSA-N	530.556	3.988	10	10	KHCE	
CC(C)N(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1	1865032167	XCNHFDIAIZLPBF-SFHVURJKSA-N	502.493	3.982	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1	1865033953	LSRZHPLONPBWGT-SFHVURJKSA-N	516.476	3.843	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865561318	CGSICJCVEULPOI-DEOSSOPVSA-N	501.631	3.733	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1	1868963780	DPZTUQXBYPITPH-HSZRJFAPSA-N	524.643	3.559	10	10	KHCE	
CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1	1871494792	MJFRLPLBUMCLTM-UHFFFAOYSA-N	505.667	3.756	10	10	KHCE	
CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1	1871713072	IBFPCNIPDXLASF-UHFFFAOYSA-N	519.650	3.558	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@@H]2c1ccc(O)c(O)c1	1864023301	XSSGYAPMTKJKMI-LJQANCHMSA-N	527.503	3.868	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865026686	RAHJWBMFJGYGLI-ZHRRBRCNSA-N	545.423	3.636	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2	1865030762	QFZHPMPWKHSRGK-QZMQVMSPSA-N	503.603	3.830	10	10	KHCE	
COc1ccccc1CN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873169613	RNYKQFXSUMJNEE-UHFFFAOYSA-N	528.653	3.695	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC[C@H]4COc5ccccc5O4)c4ccccc34)[C@H]21	1873957647	MBBUZLLDOBIIPV-SLQAJWMNSA-N	508.578	3.744	10	10	KHCE	
CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCn3ccnc3)ncnc21	1875206877	LONWVHAGUHOFAV-UHFFFAOYSA-N	502.623	3.511	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1	2296539249	JKAUXSGRLYMIDY-GOSISDBHSA-N	551.646	3.599	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2	2297749117	DHYLGBJCEGEBGQ-DDOVKQMLSA-N	746.674	3.511	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	2326603999	ZPIFAAAJIAFCDP-AREMUKBSSA-N	543.668	3.819	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N1CCCCC1	40940679	AHIZQDQENLTJPD-PXLXIMEGSA-N	525.652	3.941	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	103119919	RZNYHFYDTXCMJB-HKOYGPOVSA-N	579.748	3.966	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)cc4)c(OC)c3)C(=N)N21	104561021	CWLLOQICHXFATM-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018380	KDBWTVMFACKUFG-AVRDEDQJSA-N	525.005	3.548	10	10	KHCE	
COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865032034	UGDUCEDJWBETID-DEOSSOPVSA-N	540.576	3.513	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865032306	ABLAEQBOYPQNGU-GGUMNFRJSA-N	518.614	3.544	10	10	KHCE	
CCOC(=O)c1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1	1865926162	AZAPVJMLUUIZIX-BVAGGSTKSA-N	506.647	3.626	10	10	KHCE	
CSCC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866709035	XLHDAHYVEKOXIC-ILBGXUMGSA-N	515.635	3.941	10	10	KHCE	
CCCCOc1ccc(C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1OCC	1869969336	LQVXSNULMTWKKB-UHFFFAOYSA-N	508.623	3.980	10	10	KHCE	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	2293544171	YTORBKFSVZIGRO-UHFFFAOYSA-N	550.633	3.990	10	10	KHCE	
CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	2313549239	QPOSKUCDDKNITK-UHFFFAOYSA-N	506.296	3.673	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@H](C)O1	101013203	WOLYEVZDZNCMBT-VNPDFKGRSA-N	593.731	3.640	10	10	KHCE	
CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	143317931	WEKVOHJOWNKGKA-NDENLUEZSA-N	526.640	3.735	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OC	1084048970	ZMQHEATUYWBPIR-WQLSENKSSA-N	526.327	3.669	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864010541	NGDOUFZTQAKTBE-GCJKJVERSA-N	525.005	3.879	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865031254	CNVFXPQKHLJATH-HSZRJFAPSA-N	547.011	3.808	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867757965	NHPCNQKBNIGMBY-HXOBKFHXSA-N	502.015	3.776	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccccc3Cl)nc12	2314506493	DQNOHHNQNVFGIH-CQSZACIVSA-N	548.067	3.837	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N([C@@H](CC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1Cl	2314541174	GQWXXTFQQBTYOM-INIZCTEOSA-N	521.016	3.848	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@H](CC)C(=O)O	2314935889	SOCWCDAKIMVPPH-QGZVFWFLSA-N	516.597	3.882	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1	100345267	LWTBGNBGWMRJGE-WOJGMQOQSA-N	534.437	3.979	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=N)N21	104560555	OOGFCSOTHSLKDT-RQFVJUFOSA-N	537.623	3.740	10	10	KHCE	
O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(Oc3ccccc3)cc2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21	247416798	QKNFDVNAJGYWSU-NOBFNJNDSA-N	630.609	3.998	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)COc3ccc(C)cc3)CC2)cc1	1862273220	OFALLFVICYFPHX-HHHXNRCGSA-N	505.590	3.598	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2	1864014105	NKKAZXVRWRYKCN-QHCPKHFHSA-N	522.602	3.555	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015032	IKTJXUGQMFTBTJ-SCLBCKFNSA-N	502.493	3.971	10	10	KHCE	
CCCOc1ccccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(CC)nn2C	1865451380	CSZHDKDBZVRLCC-RUZDIDTESA-N	531.657	3.823	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)cccc21	1867291434	MPVOXKVUMNCAQB-XMMPIXPASA-N	577.559	3.929	10	10	KHCE	
CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867571796	VIADSMBJNBJREZ-IZVMNLJQSA-N	547.700	3.609	10	10	KHCE	
CC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867797140	IYPYJYMVEYHCRG-JYFHCDHNSA-N	524.666	3.579	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868625528	UOQAVUNSLXOPGW-MHZLTWQESA-N	563.120	3.526	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	1874643103	SEKAQWHEHIFEQT-AREMUKBSSA-N	527.581	3.775	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCc4sc(NC(=O)c5cc(OC)cc(OC)c5)nc43)CC2)cc1	8979869	WQHGAKAFULCRKX-QFIPXVFZSA-N	522.627	3.800	10	10	KHCE	
COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1c1cccs1	101976882	CQNHJOJAFZYAQQ-IZLXSDGUSA-N	548.709	3.622	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	254808607	TYKFDBDENKKCGJ-AREMUKBSSA-N	557.628	3.823	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864010894	QKKKYAAXMWVGHN-JOCHJYFZSA-N	535.004	3.666	10	10	KHCE	
CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3nnc(C)n3C)CC2)n1	1868386685	DXXIOAHWFIYYPL-UHFFFAOYSA-N	522.613	3.712	10	10	KHCE	
CCCC[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868919670	QELZOQBCMPIYAM-RUZDIDTESA-N	550.729	3.997	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873162009	BGGWHUVWSKSOTK-UHFFFAOYSA-N	537.664	3.820	10	10	KHCE	
CCN(CC)CCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873170886	VOWRRJFVUOUAEB-UHFFFAOYSA-N	505.707	3.980	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1ccccc1	2297345456	XVYKXLSVNSKTMM-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4)c(Br)c3)C(=O)N=C2S1	2297346284	RSUJAARHIZADKM-UHFFFAOYSA-N	547.412	3.680	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1	2314837562	UJGXSDHUWXDXJO-ZDUSSCGKSA-N	516.597	3.815	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1F	20208285	JVDPEOGYOAJQSQ-SVBOREBNSA-N	516.576	3.815	10	10	KHCE	
CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	143246746	ZILYIBQLAAVWLS-DDJHGGCISA-N	538.651	3.769	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864008405	JXDDGCYKAMNTRF-SANMLTNESA-N	536.592	3.581	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864012429	ZRNJTMFTTYOBCH-XMMPIXPASA-N	540.064	3.847	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2	1864018500	MIIPUTPXPGWIED-RUZDIDTESA-N	541.608	3.748	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(OC)c(OC)c1	1865510288	XQBNAIQLVHCYAX-AREMUKBSSA-N	547.656	3.671	10	10	KHCE	
Cc1cc2nc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1	1867167007	OIUBBYGKCFHJSB-UHFFFAOYSA-N	507.550	3.838	10	10	KHCE	
CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1	1871728057	WPWMTNGZLULNDZ-UHFFFAOYSA-N	513.646	3.786	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1OC	2293080822	QFFNDHIYOFNZKI-UHFFFAOYSA-N	502.570	3.641	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600243	UCRQBNFFNANRBK-LJQANCHMSA-N	518.682	3.704	10	10	KHCE	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	103070470	ZKMYSEDWIQEEFX-WPGJWXSHSA-N	560.028	3.780	10	10	KHCE	
N#Cc1ccccc1[C@@H]1N[C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]12	150564984	JMJPJRSCQSMJJM-MEBNRWAXSA-N	640.608	3.754	10	10	KHCE	
O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(Oc3ccccc3)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21	150603776	QKNFDVNAJGYWSU-YMIGWVLGSA-N	630.609	3.998	10	10	KHCE	
Cc1cc2c(c(-c3c(O)c(C)cc4c3C(=O)c3c(O)cc(O)cc3C4=O)c1O)C(=O)c1c(O)cc(O)cc1C2=O	225421023	MWQLCNFTZCIMQR-UHFFFAOYSA-N	538.464	3.755	10	10	KHCE	biogenic
NC1=C(C(=O)NC[C@H]2CCCO2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014016	LMXGGTQWKZKLRM-QPPBQGQZSA-N	524.577	3.940	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864021777	GKWSPGMATJEDSM-SFHVURJKSA-N	526.556	3.987	10	10	KHCE	
COc1ccc(CCN2C[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1OC	1865927242	JNKFCRSIOBDDJT-AOYPEHQESA-N	522.690	3.504	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCCn5ccnc5)ncnc4n3CC(C)C)CC2)cc1	1875209769	MADFHLRPFAOEPN-UHFFFAOYSA-N	516.650	3.757	10	10	KHCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	2296079555	OSELSDBKXSIZOS-UHFFFAOYSA-N	541.585	3.721	10	10	KHCE	
CCSC1=NSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(OC)cc4)c(OC)c3)C(=N)N12	2297345026	IXYQXHRRPLZKRF-UHFFFAOYSA-N	532.625	3.801	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc(C)cc1	2297345790	BZNULDUCDQFHME-UHFFFAOYSA-N	512.613	3.982	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	2314399282	HNZAXDKZYNUVFT-UHFFFAOYSA-N	623.757	3.743	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N21	96459835	SFVUWHHNWIRIKZ-PTMKURNPSA-N	519.004	3.809	10	10	KHCE	
COc1cc2c(cc1O)CCN[C@]21CCS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4	150339750	AXYPHJWOKPNXAX-IZQXKXCFSA-N	775.877	3.803	10	10	KHCE	in-vitro
CCN(CC)c1ccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1	1860716760	AXHVTWJTVYTKBP-UHFFFAOYSA-N	503.028	3.505	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864009063	YPMXFTCQWOTLOC-SANMLTNESA-N	526.593	3.962	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864012287	WUQOQEBUDNIXEX-XMMPIXPASA-N	518.520	3.940	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864017005	CDVMNGMECPEVPP-QHCPKHFHSA-N	527.581	3.965	10	10	KHCE	
CCOc1ccc(CCNC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1OCC	1864018506	MLOCDVMKTICCOC-DEOSSOPVSA-N	536.629	3.728	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019995	TYPSTNNUTSQHLD-VWLOTQADSA-N	525.609	3.928	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864022765	YBDBHTMHLPJROG-DEOSSOPVSA-N	530.629	3.833	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1	1865026439	JCKCASHVSJQNNV-DEOSSOPVSA-N	501.631	3.908	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865030498	LBQNLFJTZYDAOT-DEOSSOPVSA-N	525.565	3.751	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865031571	JYHUOZPQOPLVAA-XMMPIXPASA-N	526.593	3.794	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865032750	JWGPPDYKWAJNLI-KIMHZCHSSA-N	525.005	3.830	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867833595	MGTPJTGFJBEQJB-RPLLCQBOSA-N	540.621	3.811	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)C(C)C)CC2)cc1	1869009010	PEBZJLYTJUTHOK-HHHXNRCGSA-N	516.642	3.566	10	10	KHCE	
CCOC(=O)CCOc1cn(Cc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870454555	ZNTBCLQGVXZDRG-UHFFFAOYSA-N	519.642	3.868	10	10	KHCE	
CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1	1873422430	XAPGSOOKKVUNEX-UHFFFAOYSA-N	514.582	3.599	10	10	KHCE	
CC(C)(C)OC(=O)NCCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O	1873941354	GWNNNEDRLFSGMI-UHFFFAOYSA-N	501.587	3.605	10	10	KHCE	
Cc1c(N2C(=O)C(=Cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	2314399351	RRKYSYSRVXOBIX-UHFFFAOYSA-N	693.811	3.949	10	10	KHCE	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	33734722	YKPPPGWNNGMKAS-XSFVSMFZSA-N	508.508	3.978	10	10	KHCE	
CCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	101742621	ADHZDWSWDZKSSJ-XMHGGMMESA-N	601.541	3.630	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccc(C)cc1	104557940	GTYVRRUFNDRIMG-CYPXAJCBSA-N	530.653	3.796	10	10	KHCE	
CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	143309699	GQALSQLJIFELIB-NHDPSOOVSA-N	526.640	3.627	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864013499	XKIHPZMXDGGEQD-XXBNENTESA-N	539.032	3.938	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864014164	ONNIWZWJVAREEC-HSZRJFAPSA-N	501.587	3.802	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864015171	LDCAVTURNGDNAO-QFIPXVFZSA-N	506.603	3.855	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@@H]2c1ccc(O)c(O)c1	1864021389	BIXWEKANQXCXCA-MRXNPFEDSA-N	508.884	3.997	10	10	KHCE	
CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864021756	GFPSBADJCVVITL-QGZVFWFLSA-N	503.481	3.554	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865029400	MJQYLOJDZHUMLC-PXDATVDWSA-N	532.641	3.753	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865033795	IFBRZGLVTAHMMH-LJQANCHMSA-N	535.567	3.505	10	10	KHCE	
CCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869069069	OSAMOGYLGGPHJD-LJQANCHMSA-N	503.525	3.609	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1	1871587558	REBJLLFOZBWISN-UHFFFAOYSA-N	506.614	3.888	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(Cl)cc1	2297345778	BHVFDQVBMGWAFI-UHFFFAOYSA-N	547.014	3.968	10	10	KHCE	
C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1)C(=O)O	2314930533	FNHJCIVXIHCVTQ-NSHDSACASA-N	507.387	3.847	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	100880717	OQYXKCRVRIWMKU-CJLVFECKSA-N	553.685	3.706	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1	101398653	BTRDZERGDUPGCZ-HSJXSQSUSA-N	520.434	3.868	10	10	KHCE	
COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1c1cccs1	101976893	CQNHJOJAFZYAQQ-NSOVKSMOSA-N	548.709	3.622	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)sc(C)c1-c1ccc(Br)cc1	1860758561	OCIPGMNBQBAMFS-UHFFFAOYSA-N	580.482	3.565	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864008039	AQEWSDPVQIGGIY-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864015818	WFKVTCSKGMLCKT-GOSISDBHSA-N	520.483	3.967	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865030501	LCWBYUCSNAFFDS-SANMLTNESA-N	545.684	3.852	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(O)c1	1865047691	GQORSWRUUNFCLE-HXUWFJFHSA-N	543.546	3.679	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2nccn2C)cc1	1866024559	RTKHOASHIBGZMC-IZZNHLLZSA-N	507.594	3.599	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1	1867618708	VZOFOJWEYJOAOZ-JSOSNVBQSA-N	653.780	3.896	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869033437	PSRCFNQLHZZEHO-SKCUWOTOSA-N	529.612	3.971	10	10	KHCE	
CCOc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccc(C)cc2)cc1	1869970395	PTIQMVPUADGDIG-UHFFFAOYSA-N	512.614	3.984	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	2296845313	ZXROVDVLIAQTNI-UHFFFAOYSA-N	523.659	3.685	10	10	KHCE	
CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O	33812641	NYEDRFHGGBWKRI-HMAPJEAMSA-N	525.675	3.731	10	10	KHCE	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	101063176	NTVNXEUHYQHDAY-XNHPLOEXSA-N	541.676	3.800	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@H]4[C@H](C3=O)[C@@](Cc3c[nH]c5ccccc35)(C(=O)O)N[C@H]4c3nccs3)ccc21	106591412	MFQALWQYXQGCIO-DOKVQHETSA-N	616.655	3.912	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	252671530	NLCDXKIMSUKZBC-HHHXNRCGSA-N	563.676	3.578	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(-n3cncn3)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	504123475	OAAMAKLQLWLYQF-ACIRYHQQSA-N	648.592	3.668	10	10	KHCE	
CCOc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	1084179053	PVWMGIHKYGVUBU-OQLLNIDSSA-N	618.165	3.970	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864014488	WDVUUYVPZXJUNJ-HSZRJFAPSA-N	511.667	3.590	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2	1864014647	ZMPNPJYKOZALJP-GYCJOSAFSA-N	514.582	3.581	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2	1865026075	JIPFIHCNDPWZQM-JOWJHRDDSA-N	506.578	3.989	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865641730	APQZHHBFTVAPNM-DEOSSOPVSA-N	517.630	3.526	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867630286	KEDBQUMBAAQRMV-OWHBQTKESA-N	653.780	3.896	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868655323	OXTBKFRGWUWHKE-XMMPIXPASA-N	520.630	3.843	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1	1868910289	VTQAMGCABJISRW-MUUNZHRXSA-N	571.703	3.928	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1	1869118079	WMHVFLWRWPTUHM-QFIPXVFZSA-N	517.630	3.723	10	10	KHCE	
CCOC(=O)c1cc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2)ccc1Cl	2294650096	HPCBYYDJBUQPHB-UHFFFAOYSA-N	534.999	3.820	10	10	KHCE	
CN1C(=O)C(=Cc2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297508996	HJWIJKQDRSFOPW-UHFFFAOYSA-N	613.534	3.564	10	10	KHCE	
Cc1ccc(Cn2cnc(I)c2I)c(O)c1Br	2307565987	RXTYNEXBKFFGBG-UHFFFAOYSA-N	518.918	3.917	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	2313561015	PRLPKJZKMNNISN-UHFFFAOYSA-N	582.201	3.829	10	10	KHCE	
COc1cccc(OCCCn2cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	101397664	VLOSCDNNJJBQKP-RQFVJUFOSA-N	537.623	3.740	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	104629344	VROIPKQYUBIXON-WQRHYEAKSA-N	534.437	3.979	10	10	KHCE	
Cc1ccc(C(=O)N/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc1	104810441	NOGGRTKRSYGTED-XIEYBQDHSA-N	528.634	3.964	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864021643	DNGKUPCAZOGVCM-SFHVURJKSA-N	518.492	3.613	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1	1869018890	SBGGCWZLVIGKOD-SANMLTNESA-N	535.616	3.839	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OC	2314768194	FTIBHKPPGOUDSP-UHFFFAOYSA-N	513.641	3.797	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	100884362	MAWMRFMJZRCWHO-FCDQGJHFSA-N	549.722	3.645	10	10	KHCE	
COc1ccccc1C(=O)N/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)N1CCc2ccccc21	104810526	HZUHGGCSGCWQHR-HKOYGPOVSA-N	544.633	3.665	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1	1862111529	FAKMYFDZELQZMO-QFIPXVFZSA-N	504.052	3.756	10	10	KHCE	
COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1S(C)(=O)=O	1866893547	ZHNJEOWBQRRDCR-RUZDIDTESA-N	582.634	3.854	10	10	KHCE	
CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1	1871645561	NKBYVEVMLOMDSX-UHFFFAOYSA-N	506.611	3.613	10	10	KHCE	
COc1ccc(CCN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC	1873166042	ZRYWBKPKUUEZJZ-UHFFFAOYSA-N	516.642	3.585	10	10	KHCE	
CNc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	100273140	AZXRSJQBCGGXNT-QPEQYQDCSA-N	587.155	3.912	10	10	KHCE	
Cc1cc(S(=O)(=O)O)ccc1N1N=C(C(=O)O)[C@H](/N=N/c2cc(NC(=O)c3ccc4nc(Cl)c(Cl)nc4c3)ccc2S(=O)(=O)O)C1=O	150345467	VBKALLUZJMIMKJ-CIIUXJHLSA-N	722.501	3.930	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(-c4ccc(Cl)c(Cl)c4)n(C)n3)CC2)cc1	1861882480	BLLRVEHYTINAAY-MRXNPFEDSA-N	516.429	3.870	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864008821	SRLVUBAZQWWPBW-YZKSFBTGSA-N	542.636	3.546	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N(C)Cc2ccccc2)=C(N)O3)cc1	1865033824	IOVJPDIRVQODHF-HSZRJFAPSA-N	512.566	3.860	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1	1868594129	MZMYIZBMTOCONM-UHFFFAOYSA-N	508.644	3.517	10	10	KHCE	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2ccc(S(N)(=O)=O)cc2)cc1	2313683351	XWXTVSJTTQVVSY-UHFFFAOYSA-N	547.662	3.810	10	10	KHCE	
CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2314414286	VFALIJIWJZNQSE-UHFFFAOYSA-N	532.651	3.638	10	10	KHCE	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O	2285608	YYTXCJZTQNYFBY-RCCKNPSSSA-N	525.517	3.557	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=N)N21	20206819	WNKGPQUYWNNURC-OLFHAYNOSA-N	502.961	3.571	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=N)N21	101395320	GBIFMORSKGCTKY-VZKFJVGXSA-N	542.639	3.781	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1cccc(C)c1	104561393	KFTCNNZZOUZGRI-NFBUKIRSSA-N	526.596	3.624	10	10	KHCE	
Cc1cccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4\C(=O)Nc5ccccc54)S3)s2)c1	206385181	SLRVEGVGEJEYHH-WUKNDPDISA-N	508.610	3.982	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864008090	BLEPUUOBEXDBNR-DEOSSOPVSA-N	538.048	3.932	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864008747	RENZXTUSOAFKOJ-SANMLTNESA-N	542.592	3.679	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018383	KDBWTVMFACKUFG-XMSQKQJNSA-N	525.005	3.548	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(N(C)C)cc3)CC2)cc1	1865076220	KNZRUDIURSWCSK-HHHXNRCGSA-N	544.700	3.966	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1	1868987677	GJZDHXDPIVDLCQ-NDEPHWFRSA-N	557.626	3.724	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873166482	QTKXLTYZZWTWOJ-DEOSSOPVSA-N	520.630	3.564	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)cc1	2294106485	WUOCKIPBLXCWCW-UHFFFAOYSA-N	604.138	3.667	10	10	KHCE	
O=C(O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	2313559629	IDEDHCAYDHDTQA-UHFFFAOYSA-N	558.566	3.995	10	10	KHCE	
Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1	2314399704	CAMUNFWPOTXNRT-KRWDZBQOSA-N	533.679	3.667	10	10	KHCE	
O=C1/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1	34988072	MMPLEEFKFAIJQU-KNTRCKAVSA-N	512.657	3.572	10	10	KHCE	
CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S	40939007	OIIBPUVWZIUDHC-HMMYKYKNSA-N	508.662	3.877	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccccc3Cl)nc12	101062552	DQNOHHNQNVFGIH-XWAFYUISSA-N	548.067	3.837	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	101398832	SITKBNXFRSCSLZ-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCCOc1ccccc1	104558953	SWDOSNOLIBCTQN-SVBOREBNSA-N	549.030	3.818	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	1615296207	POZIORVSEBDXTB-DTBSQOONSA-N	536.722	3.882	10	10	KHCE	
CC[C@](C)(NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984484	RVJRVARDWGCPJN-IADCTJSHSA-N	510.654	3.680	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865397918	GDZKDQLLFWPVFJ-AREMUKBSSA-N	536.636	3.882	10	10	KHCE	
Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1	1867547518	QTCHZCAWSQGNNJ-SMCANUKXSA-N	611.743	3.604	10	10	KHCE	
COc1cc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC	1867801438	AWCZOPXLAICXRV-HSZRJFAPSA-N	541.649	3.530	10	10	KHCE	
CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccc(OC)c2)n1	1867990368	NBVATSWOJYXVLI-UHFFFAOYSA-N	505.619	3.877	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	1873426306	ZFGGDRJIOXYPKC-UHFFFAOYSA-N	545.596	3.535	10	10	KHCE	
CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)NC1=S	2294204838	JGJCEANUFUENEP-UHFFFAOYSA-N	557.207	3.889	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296540242	FUFZECYYHNWUDS-UHFFFAOYSA-N	565.721	3.576	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	2297345090	PSKAYONYVKJPJZ-UHFFFAOYSA-N	547.596	3.701	10	10	KHCE	
Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)CN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1	12867614	OSJIPEXVAGNXPT-NDEPHWFRSA-N	520.655	3.634	10	10	KHCE	
Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)c1ccc(O)c(O)c1C3=O)C(=O)c1c(ccc(O)c1O)C2=O	85548477	XHKQDFVQROFUEL-UHFFFAOYSA-N	538.464	3.755	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1	101397123	GECMUVMUOHFUCT-CYPXAJCBSA-N	530.653	3.796	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC	102593628	LKBNNNPZDXHSHV-MEGCXXLRSA-N	541.676	3.945	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864016265	KURICORQVDZOIS-QFIPXVFZSA-N	500.530	3.979	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)CC1	1865029957	ZEIXWNNQSQHNPR-MHZLTWQESA-N	539.636	3.994	10	10	KHCE	
Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868161369	NNCMLKKGFQRPNM-UHFFFAOYSA-N	505.530	3.598	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3nc(C4CC4)n4ccccc34)CC2)cc1	1868778458	LWVYEWZRNPFUPB-SANMLTNESA-N	523.637	3.910	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4cccnc4)n3)CC2)cc1	1869376403	RPFUKJQQZJSFPS-NDEPHWFRSA-N	539.615	3.690	10	10	KHCE	
CCCCNC(=O)COc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870516450	DYUACHFGFNNBHK-UHFFFAOYSA-N	518.658	3.523	10	10	KHCE	
CC[C@@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC)C(=O)O	2314933712	XCSZCEZZDZRTNE-OAHLLOKOSA-N	543.044	3.685	10	10	KHCE	
Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	2326943719	DLATWYJHSZTCJW-OAHLLOKOSA-N	509.609	3.723	10	10	KHCE	
CC[C@H](C(=O)OCc1ccccc1)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326944834	MOPKRECFULZFKA-QGZVFWFLSA-N	510.593	3.601	10	10	KHCE	
COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	1803775	XFSLJGWHIRLFSJ-FMQUCBEESA-N	502.017	3.933	10	10	KHCE	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)C2=O)c1	101677584	ZFYBZYVAQUXWLC-MLPAPPSSSA-N	588.139	3.885	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864019304	IIMYUSGVJZOOMI-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865028085	PCCPNGFSSWFUTJ-QFIPXVFZSA-N	545.423	3.824	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865073553	HWTSEUYYKFBGMU-QHCPKHFHSA-N	505.594	3.657	10	10	KHCE	
CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866879253	OBCAFSACWUKGNP-KOSHJBKYSA-N	541.629	3.692	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437238	DBTJHKZHSQKMAK-UCGGBYDDSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)CC2)cc1	1868653079	HEJKIEUILJQVJP-RUZDIDTESA-N	552.697	3.796	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)cc1	2297499549	LKMHTRNKYXEYNE-UHFFFAOYSA-N	531.594	3.936	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1F	20206619	PXOSTKYJYLOSIQ-LXEXHQCYSA-N	516.576	3.815	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O	210720325	NYBGXXZSJIZGIN-LDADJPATSA-N	502.570	3.728	10	10	KHCE	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	213209375	NTVNXEUHYQHDAY-BRLDDBHUSA-N	541.676	3.800	10	10	KHCE	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1	254441352	NNXZXWCUMPAEOX-AREMUKBSSA-N	535.666	3.662	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2	1864012602	DUCUHMFVNSJLQJ-FQEVSTJZSA-N	500.958	3.918	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864020393	XXXFRCNXOMLUMQ-VWLOTQADSA-N	510.594	3.959	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@H]2c1ccc(O)c(O)c1	1865033658	FRLWYHWWGDYJLE-RDPSFJRHSA-N	548.640	3.838	10	10	KHCE	
COc1ccc(CN2C(=O)c3ccc(C(=O)NCC(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1	1867446243	YUBPONDWVUSAKS-PMERELPUSA-N	597.716	3.631	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870737467	UTXGCOVFRLRAPV-UHFFFAOYSA-N	520.630	3.615	10	10	KHCE	
O=C1/C(=C/c2ccccc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1	101283026	KXVMUHBANABGMI-VBNMEBLOSA-N	539.075	3.896	10	10	KHCE	
CN1C(=O)NC(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O	101694206	JIDCYAGCYKRAHS-MLPAPPSSSA-N	538.148	3.580	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)CC1	103721579	XFXGPLIBOQAXDB-PTGBLXJZSA-N	533.723	3.979	10	10	KHCE	
CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1	248058888	POFBZVKJJPHBJM-YRIIQKNPSA-N	542.592	3.739	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)c1O	248135646	ZOOOSUVDRQBLRO-ZRIOWSNCSA-N	525.561	3.707	10	10	KHCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC	526389408	QYGIMOVOUBNBHF-SANMLTNESA-N	517.582	3.924	10	10	KHCE	
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	1858626697	VUXUTJFMZFRXEG-UHFFFAOYSA-N	533.606	3.626	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H]2COc4ccccc4O2)[C@H]3c2ccc(O)c(O)c2)cc1	1864008026	AEIVBOWMTJVRSN-IBVKSMDESA-N	540.576	3.551	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864008929	VFECLFRPCFJGBQ-QFIPXVFZSA-N	548.397	3.760	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018382	KDBWTVMFACKUFG-PGRDOPGGSA-N	525.005	3.548	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020070	VLSOFXRESVRDEF-HSZRJFAPSA-N	549.031	3.656	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865027389	XJWVBAYCVANPMS-YADARESESA-N	539.032	3.763	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(Cl)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873162194	JVZXFXTVLBSIFZ-UHFFFAOYSA-N	533.072	3.992	10	10	KHCE	
Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O	1873425910	PKNNDCSHJQDQAW-UHFFFAOYSA-N	529.597	3.835	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCC3)nc12	100850921	PKIOKOOUJZMZRJ-LTGZKZEYSA-N	558.689	3.807	10	10	KHCE	
CCC[C@H](NC(=O)C1CCN(Cc2cccc(F)c2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861977438	GJPSEIHMKYSXBV-MHZLTWQESA-N	510.654	3.680	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864016964	AXKUJWNVVPQDOB-RUZDIDTESA-N	549.672	3.787	10	10	KHCE	
NC1=C(C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864023261	WRSQOYNJDIMOPY-LJQANCHMSA-N	541.461	3.847	10	10	KHCE	
CC[C@](C)(NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866885655	PJFBBEUDJGZAIS-MHZLTWQESA-N	539.009	3.813	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CS(=O)(=O)c5ccccc5)C4)nc(C)n3)CC2)cc1	1869290267	PQFSXDBORQISIH-HSZRJFAPSA-N	521.687	3.811	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccc(O)cc3)CC2)cc1	1870551469	KJQSGFXEWWZBQP-UHFFFAOYSA-N	507.631	3.737	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O	15039983	NYBGXXZSJIZGIN-PDGQHHTCSA-N	502.570	3.728	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC	33415397	GRXLQRADOREFQU-RQZCQDPDSA-N	517.332	3.904	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1	33625395	RHQMZHPJVXZOKH-HBDRGQTGSA-N	513.535	3.985	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	101399237	IOAPNTJSFOZYLM-PUYZJMEQSA-N	543.583	3.584	10	10	KHCE	
CCN1/C(=C\C=c2\s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(CC)c2=O)Sc2ccc(OC)cc21	205989954	ASNUFGUMUZBIJP-ZRMPNAGTSA-N	518.664	3.766	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1	1862284739	JYOJQMHDKFSXEH-RUZDIDTESA-N	520.561	3.741	10	10	KHCE	
NC1=C(C(=O)NCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc4ccccc34)c2O1	1864016078	ZSONVCPOEPIVGS-RUZDIDTESA-N	534.572	3.907	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865032767	KBWGRLNZEXOWJN-SANMLTNESA-N	537.620	3.889	10	10	KHCE	
CSCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866857183	LDPQJGJRRDWWNG-OAQYLSRUSA-N	537.544	3.555	10	10	KHCE	
CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866870749	QCKRPKYUDFYCNZ-HOYKHHGWSA-N	509.562	3.739	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867223218	JCKDGDGAHGTSCS-JGCGQSQUSA-N	554.647	3.760	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)CC2)cc1	1868771149	TYEDRHDBZCKQLI-AREMUKBSSA-N	533.698	3.678	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1	1869226668	LKVICUCEROHPOF-SSEXGKCCSA-N	539.684	3.934	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	2296139102	SECZHNAYXMOVQZ-UHFFFAOYSA-N	553.685	3.706	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC(C)C	2296968891	WWECCFPCPLUDRN-UHFFFAOYSA-N	506.296	3.753	10	10	KHCE	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COP(=O)(Oc3ccc([N+](=O)[O-])cc3)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	44265297	SZNPXGNCMDBAAE-AABGKKOBSA-N	589.414	3.911	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(=O)O	59815538	ZWDMMCUEHYHFTN-XSFVSMFZSA-N	525.608	3.752	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	207328367	YPOAGUSEMNBDIL-KWJZBXMYSA-N	548.708	3.794	10	10	KHCE	
CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526311621	HWYWCPLVMOBZJE-DEOSSOPVSA-N	510.568	3.837	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccccc3Br)CC2)cc1	1861913816	GHZSIGGZWJGRSR-OAQYLSRUSA-N	506.466	3.658	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864013075	PNZMSTOIFVHNKB-SQJMNOBHSA-N	532.641	3.902	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2	1865030324	HWNOBYDWCMZENW-AREMUKBSSA-N	539.636	3.858	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)C(C)C)CC2)cc1	1869009011	PEBZJLYTJUTHOK-MHZLTWQESA-N	516.642	3.566	10	10	KHCE	
O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	2296546349	VUNDJEDKISLROL-FQEVSTJZSA-N	558.641	3.970	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	2296697844	RDAHQDRPMFFCBY-UHFFFAOYSA-N	523.659	3.685	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(C4CC4)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	2297350863	YEUOGZHSLUCTQX-UHFFFAOYSA-N	549.638	3.720	10	10	KHCE	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	2297509083	UJMPXOGECPZMJP-FGZHOGPDSA-N	576.719	3.969	10	10	KHCE	
COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccccc1	2297559530	GKFSCVBFPKWJSS-UHFFFAOYSA-N	508.337	3.985	10	10	KHCE	
COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)NCCN5CCOCC5)c4)nc(C)c3C)CC2)cc1	98015310	RQAHWGSVFZIHEV-UHFFFAOYSA-N	576.767	3.783	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](c5nccs5)N[C@@](Cc5c[nH]c6ccccc56)(C(=O)O)[C@@H]4C3=O)ccc21	102464314	MFQALWQYXQGCIO-NSWWAWACSA-N	616.655	3.912	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	102600250	NMJATGQEJXRFGD-OQKWZONESA-N	535.695	3.567	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4cccc(C)c4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084592678	POELXYFXXRTRFA-SANMLTNESA-N	512.635	3.721	10	10	KHCE	
CC(=O)OC[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	1848441390	MNQMLQGCMXOQCB-QSWMPLQWSA-N	559.757	3.793	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864012146	SHTBFRMQHFBJOA-HSZRJFAPSA-N	520.586	3.905	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864016108	HRBFAFDMLCQHES-DEOSSOPVSA-N	526.593	3.775	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864016316	MEPLEJRLFGHGHS-HSZRJFAPSA-N	530.556	3.606	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N(CCO)Cc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1	1865028371	SWFPLJWHFNNZEO-MHZLTWQESA-N	540.620	3.675	10	10	KHCE	
Cc1nc2ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C	1867682115	TUUFJJODLKQTRP-ZBLYBZFDSA-N	502.663	3.774	10	10	KHCE	
Cc1c(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1867810327	JMQYGKFKQGNKIU-XMMPIXPASA-N	540.621	3.729	10	10	KHCE	
CCCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873575495	IBIDMGSGYIBZON-UHFFFAOYSA-N	500.603	3.812	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(I)c3)C(=O)NC2=S)cc1	2294204922	UETTXSCAIAEQPT-UHFFFAOYSA-N	508.337	3.530	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC	2314769183	OOYOACLEVVMVBU-JOCHJYFZSA-N	514.625	3.970	10	10	KHCE	
CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	33706567	FPLYBPIMJVNJKK-HMMYKYKNSA-N	510.641	3.978	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3Br)c3ccco3)CC2)cc1	38637525	LSUAILQBXPEEIE-OAQYLSRUSA-N	520.449	3.893	10	10	KHCE	
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc1	101442968	JYKOHNQZMPJCOU-BWAHOGKJSA-N	544.633	3.665	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	103784739	XUFMGKNRYXMWBY-WVWKGNOCSA-N	544.446	3.766	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1O	248148190	IPJUKCYBJOGWOT-FZVPRWPTSA-N	565.966	3.787	10	10	KHCE	
Cc1cccc(-n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2=O)c1	254288709	AIYMXNGJDSXNGY-UHFFFAOYSA-N	581.702	3.975	10	10	KHCE	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	1084650575	KHZBTUYPEHUKFI-AUWJEWJLSA-N	525.714	3.850	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864007333	KPTWIOFAMOJRRI-QHCPKHFHSA-N	526.037	3.788	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1	1864017418	LSNKHHAQINKREU-NRFANRHFSA-N	502.527	3.594	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865045497	KOLVPSYJSLDXTD-XMMPIXPASA-N	517.630	3.613	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccc[nH]3)CC2)cc1	1865598202	HHKCBJUFTHWBGP-RUZDIDTESA-N	510.598	3.561	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3sc(NC(C)=O)nc3-c3cccs3)C(C)C)CC2)cc1	1868630218	ZHJPTSUMKOMUAJ-XMMPIXPASA-N	555.726	3.871	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(C(C)(C)C)n3)CC2)cc1	1869194258	GBYOSNMBKIRWGE-SANMLTNESA-N	518.637	3.926	10	10	KHCE	
CCN1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)CC1	9642227	BHTFCORULPGTNO-UHFFFAOYSA-N	511.582	3.737	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S	33498245	WRLZPLWYQHTGOH-HJHGFDQJSA-N	518.705	3.841	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	101731216	OXUVQKNNOFXYRG-XMHGGMMESA-N	601.541	3.932	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Br)cc(Br)c3O)SC2=S)cc1	150441724	UHJKXUCZMIHPOT-NVNXTCNLSA-N	621.354	3.795	10	10	KHCE	
O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cncn5)(c5ccc(F)cc5F)C4)cc3)CC2)cc1	206899484	BODQCIJGJACIKO-JIYROHSKSA-N	614.657	3.768	10	10	KHCE	
CC[C@](C)(NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984483	RVJRVARDWGCPJN-BTYSJIOQSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864013521	XQQFDCIPEYAGOR-XMMPIXPASA-N	527.581	3.651	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864018223	GDFBNMBAQZICIW-VWLOTQADSA-N	549.647	3.731	10	10	KHCE	
NC1=C(C(=O)NCc2cccs2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864023268	WVTAUTYRALDDNP-KRWDZBQOSA-N	529.500	3.770	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1	1865033955	LSUWQBUYLMLZGM-QFIPXVFZSA-N	504.587	3.943	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1cn(C)c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865359296	DAXQFCVAEJBSAT-AREMUKBSSA-N	540.668	3.916	10	10	KHCE	
CSCC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866905117	ABEJMKVIVDGSJW-SANMLTNESA-N	557.672	3.718	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867875256	WSIHFPGXLZYKCC-HXOBKFHXSA-N	502.015	3.776	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868652993	CQHMLHOJHLCVCP-GDLZYMKVSA-N	520.630	3.843	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1	1871641943	BQKJTVXJCNDXGL-UHFFFAOYSA-N	519.694	3.666	10	10	KHCE	
CSc1ccc(C=C2SC(=O)N(CCNC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)C2=O)cc1	2042444306	ZASNELPSJGBOBT-QMTYFTJSSA-N	544.699	3.698	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1	2296552779	UIYXYOYDXLMMSG-UHFFFAOYSA-N	527.672	3.507	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1Cl	96459628	ROFLCGGVYRLQNZ-XJWHVNBWSA-N	519.004	3.939	10	10	KHCE	
CC(C)Oc1cccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1	1858958989	KNMJJRRQLMLXJT-OVCLIPMQSA-N	509.584	3.863	10	10	KHCE	
CCC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861976771	OKDOMFPYZNTYQQ-MHZLTWQESA-N	510.654	3.680	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864012399	ZCYUNJIELVTVEJ-VWLOTQADSA-N	532.547	3.983	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015810	VYDOEJDTZITWHC-GOSISDBHSA-N	518.492	3.778	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1	1865028472	VSPTXBXIKHDJEE-JOWJHRDDSA-N	504.587	3.800	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1	1868730988	XKYOYSUAXLIUAI-MUUNZHRXSA-N	559.663	3.571	10	10	KHCE	
CCOC(=O)COc1cn(CCc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870692395	NBBUJGHBFNQQME-UHFFFAOYSA-N	519.642	3.672	10	10	KHCE	
CCOc1c(I)cc(I)cc1C=C1SC(=O)NC1=O	2297462262	SUPWHOZYAWLXDB-UHFFFAOYSA-N	501.083	3.618	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)C[C@H](C)O1	2314476721	UJRJQHPJFGECKN-SFTDATJTSA-N	593.731	3.640	10	10	KHCE	
O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S	15044747	VVMSKPBCWJBAGF-PTNGSMBKSA-N	501.424	3.507	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(cnn5-c5ccc(Cl)cc5)c(=O)n43)CC2)cc1	100817330	FYOPRNOAJRKIQB-FQEVSTJZSA-N	537.045	3.630	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	101746007	ONXJAGKERURLGN-DEDYPNTBSA-N	606.520	3.550	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4ccccc4Cl)c4ccccc34)C(=N)N21	104558437	MZNIVJRYLPRSHV-NSNCLKJASA-N	528.015	3.995	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	1084587448	RDJQMTSALPCNFA-NVMNQCDNSA-N	594.374	3.870	10	10	KHCE	
CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@H](CC(N)=O)C(=O)O)C1=O	1858590511	UUYIMNDXRNHVMS-DWGGBAKOSA-N	520.942	3.660	10	10	KHCE	
CCCC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862001225	JTDTZWIUBKZHRM-NAKRPHOHSA-N	506.691	3.931	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864008091	BLEPUUOBEXDBNR-XMMPIXPASA-N	538.048	3.932	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864014342	SJXOVQPOGUGYFW-HSZRJFAPSA-N	516.602	3.587	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)=C(N)O2	1864014565	YJFFLTKHKJCFRS-WNSKOXEYSA-N	522.602	3.856	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1	1864016550	SAHULVSEHZUQIG-JOCHJYFZSA-N	505.619	3.524	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865029119	GFWFPUNTPLZMNO-XMMPIXPASA-N	520.630	3.611	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865343736	JRRLKTFZPVERBM-JOCHJYFZSA-N	507.660	3.887	10	10	KHCE	
COC(=O)c1c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(C)cc1	1865988900	QWHOOJFECZFHIT-HXUWFJFHSA-N	554.646	3.857	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)C(C)C)CC2)cc1	1868987263	MBBPGDSYPBRELS-MHZLTWQESA-N	516.646	3.596	10	10	KHCE	
CCCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870410279	OMOLTCKJXJPENN-QHCPKHFHSA-N	518.658	3.845	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1	1873169905	HQVDXKGMPCSSTK-UHFFFAOYSA-N	519.045	3.949	10	10	KHCE	
COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O	2313548214	OXWRIRVLMDECSH-UHFFFAOYSA-N	602.166	3.609	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC	2313549090	MWQNCNWLVNTWNU-UHFFFAOYSA-N	512.687	3.628	10	10	KHCE	
CCOc1cc(C2=NN(C(C)=O)[C@@H](c3cc(I)ccc3OC(C)=O)O2)ccc1O	64965603	IEFRRQHXLBLJIA-HXUWFJFHSA-N	510.284	3.560	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1	100849833	FFTVUCZDAOYGHV-CAPFRKAQSA-N	541.699	3.815	10	10	KHCE	
O=C(O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	1084344446	CNIPWIGZRRKPPK-XGICHPGQSA-N	650.017	3.946	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CCC)[C@H]2c2ccc(O)c(O)c2)cc1	1864021637	QWNSBBGBEJPGSH-HSZRJFAPSA-N	534.613	3.845	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3cccn3C)CC2)cc1	1865345945	ZAAGPKWREPEVTQ-MHZLTWQESA-N	538.652	3.880	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1	1867518655	MZYSFLVRDNKULQ-NDEPHWFRSA-N	553.663	3.626	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868889941	JKKTVBQSGYOKFV-URLMMPGGSA-N	553.663	3.985	10	10	KHCE	
COc1cc(C=CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC	2042439312	OTXLYMCGOFCXND-UHFFFAOYSA-N	501.491	3.683	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)O	59815853	WJFKDCHHZFXNMQ-LICLKQGHSA-N	537.413	3.857	10	10	KHCE	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377664	LXCISFSQAWAWDL-ZXVVBBHZSA-N	576.719	3.972	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531213	YGRMOKDNDBBVHL-BUTHZZEHSA-N	611.815	3.543	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	1083934629	HASCOZIKELQXLC-HHHXNRCGSA-N	586.626	3.843	10	10	KHCE	
CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21	1084367538	XKCDTPFJIKNCRI-GRSHGNNSSA-N	510.344	3.629	10	10	KHCE	
CCCCc1ccc(N2C[C@@H](C(=O)N[C@H](CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	1862166347	DKDSAZPOGYIHRH-WNCULLNHSA-N	520.674	3.634	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2	1864012924	MHPHKPORAWBNHQ-ASSNKEHSSA-N	547.439	3.794	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865030930	VLYFTSCUASBEST-AUSIDOKSSA-N	539.032	3.626	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(OCC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865279697	RNGWJABGBGTWMZ-VWLOTQADSA-N	531.657	3.823	10	10	KHCE	
CCC[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867229562	YTGDRGXZWIANSF-VWLOTQADSA-N	579.650	3.924	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4OC)n(-c4ccc(C)cc4)n3)CC2)cc1	1869969438	CDVVMACCECYAJP-UHFFFAOYSA-N	528.613	3.937	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C2=O)cc1	2294093737	KFHNXNILZVSSQM-UHFFFAOYSA-N	506.296	3.537	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	2296849726	GLBOLZDLYLYRSZ-HXUWFJFHSA-N	552.678	3.995	10	10	KHCE	
CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	2314759283	ADHZDWSWDZKSSJ-UHFFFAOYSA-N	601.541	3.630	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1	33470021	GMOGNVDSNOZXEK-KGNHYALCSA-N	523.636	3.821	10	10	KHCE	
Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1	33933370	CNLSEFZMEVNPFR-LTGZKZEYSA-N	506.653	3.674	10	10	KHCE	
COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	104562733	OYGLMBPQKFZHDL-NHOPXOSBSA-N	528.612	3.553	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864011260	DWYQHSZDGBHAIE-VWLOTQADSA-N	532.547	3.983	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864013126	QMKCDYFSCXORLQ-JOCHJYFZSA-N	545.011	3.935	10	10	KHCE	
CN(C)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864016149	IOUKKRWCBSUGBN-VWLOTQADSA-N	539.636	3.772	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865028179	RGLWIVOJWDSYTG-SANMLTNESA-N	525.609	3.832	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868821016	JCIYLUCBXHJKPI-XZWHSSHBSA-N	544.671	3.875	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CCc3cnc[nH]3)CC2)cc1	1870690800	XVUBBMYTZUBSHJ-UHFFFAOYSA-N	513.642	3.766	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cc(OC)cc(OC)c3)n4C)CC2)cc1	1873650335	IZVBPTCEXNIEEP-UHFFFAOYSA-N	502.575	3.573	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC	2296247611	LKBNNNPZDXHSHV-LJQANCHMSA-N	541.676	3.945	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N	33811950	XHHGGUKIGJWBHW-JJFYIABZSA-N	522.652	3.932	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OC	103859769	ZSXBMXPJDZHMKA-MLPAPPSSSA-N	557.138	3.737	10	10	KHCE	
Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	110074752	CTBRXKHPAWJWOC-ALFKQNEGSA-N	588.715	3.797	10	10	KHCE	
COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1	526602030	ILVTYDUFGSMXQU-HSZRJFAPSA-N	505.479	3.737	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864021181	MOGBWKXYCZVWFZ-UQBPGWFLSA-N	526.593	3.989	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@H]2c1ccc(O)c(O)c1	1865032250	YYCVQBAGKQPARM-DEOSSOPVSA-N	531.657	3.865	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865032476	CZFQRAVHEBKCAQ-JOCHJYFZSA-N	527.021	3.815	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1ccccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865165305	FRKWLYCZLQYKEQ-QFIPXVFZSA-N	508.022	3.688	10	10	KHCE	
CCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866857055	NMINTHRIRBDKAG-NRFANRHFSA-N	505.477	3.602	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1	1867987283	KFTYQBYLQHTVNZ-UHFFFAOYSA-N	526.620	3.735	10	10	KHCE	
CC[C@@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868627047	FBBCWZLZJGFGMQ-HXUWFJFHSA-N	541.699	3.625	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@@H](c3cn(C)c4ccccc34)C2=O)n1	1869227084	OKWRBOBETBMYIN-PMERELPUSA-N	539.684	3.934	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	2296697883	WEYYHXBKMZKJJU-UHFFFAOYSA-N	526.087	3.891	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1	2297345099	QNJXLESJKXUQPF-UHFFFAOYSA-N	504.977	3.549	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1F	2297346179	JVDPEOGYOAJQSQ-UHFFFAOYSA-N	516.576	3.815	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC	2297477463	RFLHVCSHUDRWND-UHFFFAOYSA-N	503.558	3.938	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	101397873	NHIYGZFCWPYKLO-MGGLCJOQSA-N	532.987	3.579	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@H](O)COc2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1	256038174	LYUFMRAHQORSGT-VXKWHMMOSA-N	525.509	3.724	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864012223	UUEXQPMLYQYHCE-VWLOTQADSA-N	530.556	3.810	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865030088	BZMHBMBWURFUBJ-UAVUOLJFSA-N	536.604	3.765	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1	1868832099	STVHAFQKCVZSCR-FCEKVYKBSA-N	517.601	3.720	10	10	KHCE	
CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868887594	BYYVXUDBXOHYOA-RPBOFIJWSA-N	505.619	3.542	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCC3)nc12	105642838	PKIOKOOUJZMZRJ-PGMHBOJBSA-N	558.689	3.807	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	254458182	QQULPSAKTJVJMD-SANMLTNESA-N	557.628	3.823	10	10	KHCE	
COc1ccc(CCN2C(=O)[C@@H]([C@H]3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)SC2=S)cc1OC	606671981	IYRHVECLZUDVCH-FGZHOGPDSA-N	592.786	3.964	10	10	KHCE	
COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)[C@@H]3CCCO3)CCCNC2=O)N(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1	1704323013	SENDFFVHKLMBEC-WXWREJFYSA-N	685.822	3.802	10	10	KHCE	
CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2CC)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862187114	GRNOTGJSFMQLLA-JYFHCDHNSA-N	520.674	3.553	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1865033117	SFOCZKJFMYAIEZ-QFIPXVFZSA-N	541.004	3.606	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1865033905	KCQUQHBROICRDT-HXUWFJFHSA-N	546.546	3.514	10	10	KHCE	
CCC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867262962	YRYWLLLMPTXGIR-QHCPKHFHSA-N	522.561	3.967	10	10	KHCE	
CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890886	MRPOIZZIDYOJLA-IZZNHLLZSA-N	519.646	3.932	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(N(C)C)cc3)CC2)cc1	1874642740	MDDRQOYKCWJZJC-LJAQVGFWSA-N	525.653	3.932	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	2297350772	QSHBMLUTNGZWAB-UHFFFAOYSA-N	537.627	3.720	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1	2314399399	WXCQZDMMYRWTCZ-UHFFFAOYSA-N	541.699	3.815	10	10	KHCE	
Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	100850891	LVQSHEUXPZQIDS-QUYZQLMHSA-N	543.717	3.851	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864006975	BYKRSNUFTWCYGG-OAQYLSRUSA-N	541.395	3.675	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1	1864015659	USBRCMBYLQICNF-OAHLLOKOSA-N	539.308	3.896	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCc4ccccc4C2)=C(N)O3)cc1	1865034405	VZZJMSROWWARJR-XMMPIXPASA-N	524.577	3.786	10	10	KHCE	
CC(NCCN1CCN(C(=O)C(C)C)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	2293648428	HQABAESNPYASFX-UHFFFAOYSA-N	516.671	3.711	10	10	KHCE	
CCOc1ccc(Br)cc1C=C1C(=O)NN(c2ccc(I)cc2)C1=O	2297451830	GANWEZAUXOECNY-UHFFFAOYSA-N	513.129	3.914	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Oc3ccccc3Cl)nc12	101062555	DQNOHHNQNVFGIH-BGARDKSCSA-N	548.067	3.837	10	10	KHCE	
Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)c1	104559757	WWEXOHALAXPNJV-PTIPPUJDSA-N	547.412	3.598	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)c1	1084541792	GNSAKNZNTOIAOD-WJDWOHSUSA-N	502.365	3.979	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864023135	USIRBFPRVREQFD-SFHVURJKSA-N	502.493	3.777	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(O)c(OCC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865038917	YNHCAZBNBVBJLU-VWLOTQADSA-N	547.656	3.529	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868616442	XLFCMSOVBQDYIU-SANMLTNESA-N	534.657	3.585	10	10	KHCE	
CCCCOC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871201973	YEWKLUIWYYLARC-UHFFFAOYSA-N	509.603	3.935	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1	2294133976	OTPNJEIYSANAED-UHFFFAOYSA-N	502.479	3.647	10	10	KHCE	
Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1C	20207886	GYRLBKWQAXUPKZ-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(N2C[C@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N	33452549	JPZACMRDIJSBIF-BBDDYXILSA-N	508.669	3.623	10	10	KHCE	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C\c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	102886917	AEAKGFLVKHMFOZ-BRMCRPDNSA-N	519.526	3.673	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084646423	NVEXMNWHYCTTRL-OAQYLSRUSA-N	576.900	3.986	10	10	KHCE	
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)c(O[S@](=O)O)c2)CC1	1848440511	ZKECZNCJGXMNIH-LVXARBLLSA-N	611.504	3.721	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1	1862196449	SSSJZYSULXMXHQ-HXUWFJFHSA-N	510.443	3.631	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864007014	DBHBLGWUTYOXBJ-DEOSSOPVSA-N	538.048	3.932	10	10	KHCE	
COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864010986	XVODMCWJCSIUIQ-IZHWHUGBSA-N	522.602	3.848	10	10	KHCE	
CN(C)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864016148	IOUKKRWCBSUGBN-RUZDIDTESA-N	539.636	3.772	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(-c4ccccc4C)n3)CC2)cc1	1869146744	CPQPVKIBJGHRKN-UHFFFAOYSA-N	570.719	3.997	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(NC(C)=O)c4)n(-c4ccccc4)n3)CC2)cc1	1869971123	XZHQAQWLVXXIAE-UHFFFAOYSA-N	511.586	3.813	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OCC(=O)O	2295945856	IJLAPYORPLVHMH-UHFFFAOYSA-N	517.332	3.711	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	2296845282	UGTPJIAUMRMSIR-UHFFFAOYSA-N	526.087	3.810	10	10	KHCE	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c23)C1=O	2297456089	XEFSEOPFNSXFCZ-UHFFFAOYSA-N	539.729	3.523	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864009747	CRTUUUBQTOZLBW-VWLOTQADSA-N	514.582	3.981	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864010257	QOAIVJWGEQDAJF-QHCPKHFHSA-N	544.027	3.596	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864010380	LVDNETBRNYXERQ-RUZDIDTESA-N	531.657	3.923	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@@H]2c1ccc(O)c(O)c1	1865035509	VUDJDUJLWZSIIZ-XMMPIXPASA-N	534.613	3.563	10	10	KHCE	
CCc1ccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1	1867178796	PKCNXUPDWKSHNW-RUZDIDTESA-N	537.572	3.646	10	10	KHCE	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	39389098	VIJRKWAYHPZQSF-OGTCDWKQSA-N	506.628	3.738	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)c(Br)c3)C(=O)N=C2S1	101397980	XNNIBSFVWJAOPQ-XTZGGVIGSA-N	549.428	3.528	10	10	KHCE	
COc1ccc(CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1861938136	CRSIBXJDRSJUJA-MUUNZHRXSA-N	519.617	3.852	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864010344	LAODJCBFCAMQRI-DEOSSOPVSA-N	536.629	3.871	10	10	KHCE	
NC1=C(C(=O)NCCc2cnc[nH]2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014413	UODSARBUYKQZPI-XMMPIXPASA-N	534.576	3.727	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864014826	DFVDMEPXOLMKBS-KRWDZBQOSA-N	506.456	3.721	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2	1865026513	OUEUUZGSEUTFET-YWTKSJFSSA-N	506.578	3.989	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2	1865030830	RUQVOWPHRLZREF-HSZRJFAPSA-N	505.619	3.838	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865033979	MGGFRIFOHINHRA-HXUWFJFHSA-N	543.546	3.685	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035058	KGWVHUBVLKZLCQ-CYFREDJKSA-N	536.604	3.502	10	10	KHCE	
COc1ccc([C@H](C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC	1868151570	UTUSYWFRDDBBAR-RUZDIDTESA-N	500.551	3.974	10	10	KHCE	
COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1OC	1873166420	PFRHRMUPQJCYFL-UHFFFAOYSA-N	516.642	3.585	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccc(S(N)(=O)=O)cc5)ncnc4n3Cc3ccccc3)CC2)cc1	1875217613	AQFGEHQAIXXVMH-UHFFFAOYSA-N	625.755	3.753	10	10	KHCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=S)Nc2ccccc2)CC1	2296809647	RNEVIOFUHSLUKR-UHFFFAOYSA-N	521.647	3.586	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@H]3CCCO3)nc12	2296845211	GZUVDZQHBVGVDH-QGZVFWFLSA-N	536.635	3.724	10	10	KHCE	
Cc1ccc(C(=CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	2329611996	FVSWSNFELMDTOH-SANMLTNESA-N	508.574	3.988	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S	33498239	MBBQGZDFTGJUQX-CTBJKRMSSA-N	518.705	3.841	10	10	KHCE	
O=C(O)CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	33599619	LTKGPRUPJDKBKH-FMQUCBEESA-N	516.000	3.762	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	102992870	BYVUOEICLSHDTP-LTGZKZEYSA-N	506.653	3.885	10	10	KHCE	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)ccc1Br	1084015470	ONPMZDRDUDIDAO-LFYBBSHMSA-N	508.122	3.915	10	10	KHCE	
CCC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997130	QJOBRYYPJSMPCV-HOFKKMOUSA-N	510.654	3.680	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018814	RHHCFFVZVNWNTG-IVZQSRNASA-N	542.995	3.687	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019079	VNCSKJPDSQAKSJ-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864019872	QZXJYKBVWHKPOI-DEOSSOPVSA-N	520.630	3.923	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864021178	MOGBWKXYCZVWFZ-CLOONOSVSA-N	526.593	3.989	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865026970	UYBPYOZWVZEWEI-HSZRJFAPSA-N	527.021	3.620	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2	1865030095	CFVQKUAXQXBQPM-VWLOTQADSA-N	540.624	3.812	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865030836	SBICRWBPVUKQFB-RUZDIDTESA-N	549.647	3.681	10	10	KHCE	
CSCC[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O	1865987597	XBMLCNLELJBATA-LOSJGSFVSA-N	508.688	3.814	10	10	KHCE	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867440712	NEJDPGWSLNWZNF-KPURRNSFSA-N	625.726	3.739	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C(C)=O)c2ccccc2N2CCNCC2)n1	1869228102	VPASCCWVYSMERU-UHFFFAOYSA-N	529.689	3.859	10	10	KHCE	
COc1ccc([C@@H](C)NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1	1873933645	ANRGUZGYMKEJOB-CQSZACIVSA-N	501.491	3.812	10	10	KHCE	
COc1cc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc(OC)c1	1873936146	YXMQKZDVAYTTFF-UHFFFAOYSA-N	503.463	3.582	10	10	KHCE	
O=C(CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874016220	CTAOTFFJZMDVIU-IBGZPJMESA-N	507.424	3.723	10	10	KHCE	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	2042441590	ZKMYSEDWIQEEFX-IBGZPJMESA-N	560.028	3.780	10	10	KHCE	
Cc1ccc(CN2C(=O)C(=C3SC(=S)N(CCS(=O)(=O)O)C3=O)c3cc(Br)ccc32)cc1	2053515296	MULQKAKTJMBXLU-UHFFFAOYSA-N	553.481	3.764	10	10	KHCE	
N=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2297468566	KKBNLYVGOBFIII-UHFFFAOYSA-N	512.595	3.558	10	10	KHCE	
C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	2314650381	CZKFOKSFUWDEFH-NSHDSACASA-N	521.623	3.878	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314828887	POZIORVSEBDXTB-RKVPGOIHSA-N	536.722	3.882	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=N)N21	20206908	RYNLWQUIGQAXAO-WUVMMTAUSA-N	506.009	3.768	10	10	KHCE	
Cc1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	101267020	TXNUNFHWANIXOF-KCBNLNMNSA-N	525.073	3.659	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCCO)=C(N)O3)cc1	1864017733	TXFXHFUTPDRWTQ-QHCPKHFHSA-N	536.629	3.599	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865029980	ZLQYQBGSJVESMU-CLOONOSVSA-N	548.640	3.703	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865030659	OEOJRCKGHZMTFO-VWLOTQADSA-N	549.647	3.683	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865030751	QCGSZWJHLSSTMM-VWLOTQADSA-N	549.647	3.683	10	10	KHCE	
NC1=C(C(=O)N2CCC(CO)CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031346	FEASDCYHNYBZGT-RUZDIDTESA-N	538.604	3.876	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865031732	NDKYAIRQAJGLPJ-IBGZPJMESA-N	532.519	3.618	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(F)cc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865414720	DXJBQRJUMDRRFV-HSZRJFAPSA-N	523.584	3.703	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296549784	ZFXUOQOJUCWKKD-UHFFFAOYSA-N	535.695	3.949	10	10	KHCE	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)c(I)c1	2313560757	FUOQMHSWSRWTQS-UHFFFAOYSA-N	529.153	3.591	10	10	KHCE	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	101063177	NTVNXEUHYQHDAY-RONKMWSCSA-N	541.676	3.800	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(Cc3ccccc3C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865034724	CLHFESAYPIWJDK-RUZDIDTESA-N	531.657	3.614	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865035725	ZWXFJWFSKVUSPC-QHCPKHFHSA-N	541.048	3.874	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3cccn3C)CC2)cc1	1865342820	FFYSPJSRTUWTGW-AREMUKBSSA-N	524.625	3.571	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869033435	PSRCFNQLHZZEHO-DWACAAAGSA-N	529.612	3.971	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)NC3=O)c2)CC1	2314476088	IMUTYLFCNAZAFR-UHFFFAOYSA-N	582.729	3.992	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1	2314842431	VEWUTNWYCSOEHX-INIZCTEOSA-N	534.999	3.795	10	10	KHCE	
COCCOCC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C	103911826	PQHIRNAJWNODRO-UHFFFAOYSA-N	553.680	3.560	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	163727192	PIJHQWJFNVEZPQ-LJJBLSSYSA-N	633.508	3.573	10	10	KHCE	
CCCC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862001222	JTDTZWIUBKZHRM-LBNVMWSVSA-N	506.691	3.931	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@H]3c2ccc(O)c(O)c2)c1	1864011655	JREDENYGQWTMJL-VWLOTQADSA-N	511.582	3.674	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864014284	RDHUIEQNJZDWMS-HSZRJFAPSA-N	516.602	3.790	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2	1864019286	XRGRUBLBCSUQQQ-UPCLLVRISA-N	527.581	3.822	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)C(C)C)CC2)cc1	1868638740	UOIJUCKEGFNECW-MHZLTWQESA-N	504.631	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868816226	GZZMZMJLDUJMHG-IHLOFXLRSA-N	560.670	3.581	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(-c4ccccc4)n3)CC2)cc1	1869200778	BCTIELSVOGDTMB-UHFFFAOYSA-N	556.692	3.689	10	10	KHCE	
CCCCN(C)C(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870949634	KLNCRCMMSZZVIG-UHFFFAOYSA-N	522.646	3.850	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(CCOc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	2297346019	WTTLBWMONMYGAU-UHFFFAOYSA-N	528.015	3.995	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c2c1[C@H](C(=O)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2	2297749115	DHYLGBJCEGEBGQ-ANFUHZJESA-N	746.674	3.511	10	10	KHCE	
COc1ccccc1OCCCn1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	101397660	GRKVCNCSMLIGBA-GSROUWSESA-N	537.623	3.740	10	10	KHCE	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1	103731689	VOKPNFVYOWQFJD-WOJGMQOQSA-N	530.356	3.861	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N	110520108	SRHNURKNBQDOIB-QJOMJCCJSA-N	565.721	3.738	10	10	KHCE	
CCN1/C(=C/C=c2sc(=C3SC(=S)N(Cc4ccccc4)C3=O)n(C)c2=O)Sc2ccccc21	254555746	IBOMMPMFDZVNDL-LAEFAVCGSA-N	523.730	3.870	10	10	KHCE	
CC[C@@](C)(NC(=O)C1CCN(Cc2ccccc2F)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861976450	HSWGGGUPIACAGR-GDLZYMKVSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2	1864010844	PNFSJTQXQQZCII-ODXCJYRJSA-N	533.412	3.734	10	10	KHCE	
C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1	1865034068	OEOVAJLVVLFJJX-SCLBCKFNSA-N	515.492	3.650	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C(\C)c3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3)CC2)cc1	1868920815	PIPMVBMQLGZQNC-CVSSFELZSA-N	576.719	3.555	10	10	KHCE	
CCNC(=O)COc1cn(CCCN2CCCC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870969904	FCXLAQBHOBHRAD-UHFFFAOYSA-N	517.630	3.731	10	10	KHCE	
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1	2297578636	RSBLWYIQASPWRE-UHFFFAOYSA-N	500.467	3.587	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	2313624035	JKLVNMYOZOJPFW-UHFFFAOYSA-N	504.587	3.901	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccccc3)nc12	2314400711	QRRDPRSTQJALKY-HNNXBMFYSA-N	529.690	3.542	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccco1	104562500	QYLIAPNGELTSGB-XJWHVNBWSA-N	530.584	3.545	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1OC	254293322	QYRHTLJRINGOFA-RUZDIDTESA-N	505.640	3.653	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864013673	YSNFPGMMIXWBEV-HSZRJFAPSA-N	541.048	3.922	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865028331	RZWXIYVOKXGHRC-WZONZLPQSA-N	525.005	3.703	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865032465	CSWNWZHUFRAEBN-SQJMNOBHSA-N	532.641	3.672	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865606737	PCVXGMLWUQFOOK-VWLOTQADSA-N	524.625	3.815	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	1865643659	SONMVDBKNICOSM-VWLOTQADSA-N	546.628	3.808	10	10	KHCE	
CCC[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868928083	XRUKZIHGAUSDJN-SANMLTNESA-N	553.704	3.851	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1	1869122838	MHMSHKFHVLZTLZ-HHHXNRCGSA-N	556.711	3.682	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2	2037504680	DHYLGBJCEGEBGQ-JNPLZAJCSA-N	746.674	3.511	10	10	KHCE	
O=C(CCC[C@@H]1[C@@H]2CCCN3CCC[C@H](CN1C(=O)c1cccnc1)[C@@H]23)NCc1ccc(N2CCOCC2)cc1	2297643007	CGXGSPCPAFKJPG-PLPKJQRDSA-N	545.728	3.720	10	10	KHCE	
CC[C@H](C)Oc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	2313556745	KAFUWTIHITZGBV-LBPRGKRZSA-N	564.332	3.872	10	10	KHCE	
CNc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	2313558454	BBYUWOUWSSWIJI-UHFFFAOYSA-N	607.186	3.908	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=N)N21	20206814	LYKBLOUZHWGNSU-VOVIPDMASA-N	502.961	3.571	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(F)cc1	59600289	KXLFAPXZXZCWCU-XXMKCSCWSA-N	523.630	3.792	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2	1864012926	MHPHKPORAWBNHQ-YEJXKQKISA-N	547.439	3.794	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3cccn3C)CC2)cc1	1865345114	KSSXYGGDNUYPAN-HHHXNRCGSA-N	538.652	3.630	10	10	KHCE	
CCCOc1ccccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2C	1865448294	FBAYAQRCHLKLRA-RUZDIDTESA-N	517.630	3.569	10	10	KHCE	
O=C(Cc1ccc2c(c1)OCCO2)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866607382	WMLUOOHOCXPLJH-AREMUKBSSA-N	562.578	3.848	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1	1868933430	HBIFHJVQDBZWKT-QHCPKHFHSA-N	543.640	3.574	10	10	KHCE	
Cc1cc(C)cc(OCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	2297345058	MVWUKUBVKYLTKF-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
Cc1cccc(C)c1OCCn1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	2297345175	ZMHUBKYUYVNJFS-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1	2313543769	IICZZJAFHWXOOR-UHFFFAOYSA-N	506.540	3.851	10	10	KHCE	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2)cc1	33930173	LHEJPVRCHNGZTR-JSNDQVOLSA-N	515.634	3.702	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)CC(C)(C)C)[C@H](c2ccc(Cl)cc2)C1	35962880	MDJOXRQFJBINLL-VWLOTQADSA-N	528.097	3.953	10	10	KHCE	
COc1cccc([C@@H]2N[C@](C(=O)O)(c3ccccc3)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O	248137181	DAPAWLMBVARYPV-RRHHDSEZSA-N	506.942	3.793	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526139000	IPTOFBFDXIIYCD-JOCHJYFZSA-N	514.943	3.633	10	10	KHCE	
COc1cc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)cc(Br)c1O	606671989	TVUVHKUEIFRICX-XODNFHPESA-N	563.412	3.558	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2	1865032941	OIJCYXUMXKDMJP-OAQYLSRUSA-N	544.439	3.621	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3cccc(Br)c3)c3nccs3)CC2)cc1	1868891344	ZLXWKIWITPNGHT-JOCHJYFZSA-N	543.487	3.901	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(C(C)(C)C)n3)CC2)cc1	1869175578	GOSVXNJLYHEJKW-QFIPXVFZSA-N	519.650	3.822	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)C)cc1	2297345316	LUDMSQQNSLFYAR-UHFFFAOYSA-N	526.596	3.659	10	10	KHCE	
COc1cccc(OCCCn2cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	2297346000	VLOSCDNNJJBQKP-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1	2297346065	ZZHUHTFLASTDPQ-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1Cl	2314541219	HPJYXHFGWRIZAV-INIZCTEOSA-N	521.016	3.848	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3)nc2s1	20332105	KYRFDCJHDKMADW-UOIDATNWSA-N	507.601	3.568	10	10	KHCE	
CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S	40938105	ZYOVPDUCEJRTTF-HMMYKYKNSA-N	506.646	3.631	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1	101266735	QOOUGJXIMGNCPZ-QJISPJEISA-N	526.752	3.925	10	10	KHCE	
O=C(O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br	101451338	JIAZBVVUDPVDCP-SDQBBNPISA-N	540.189	3.506	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864012390	ZBPPPGQSKOTQFR-RUZDIDTESA-N	514.557	3.844	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864014710	ASUAKVDDPINXJU-FQEVSTJZSA-N	545.562	3.845	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864017207	IFJAIJDXCSZUNS-XMMPIXPASA-N	519.646	3.779	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864019709	PPUOHFNLEFKXJJ-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865029127	GOKDWBQSDHXEQJ-VWLOTQADSA-N	531.657	3.542	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868615245	ALYRJWSDMLVABY-SSEXGKCCSA-N	534.657	3.585	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CCCN(C)C)C2=O)cc1	1873421068	FJHOVAATJUHBNF-UHFFFAOYSA-N	520.655	3.641	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296846623	HCVAQQBOZOCMGX-UHFFFAOYSA-N	509.632	3.690	10	10	KHCE	
CCN1C(=O)/C(=C/c2cc(I)cc(I)c2O)SC1=S	1084581960	LIGMPGLQPZFWDK-WTKPLQERSA-N	517.151	3.823	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865033290	WHPDILLNWZPNIN-CEYNDMKZSA-N	532.641	3.852	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867171017	ITIBVLVPCFUJFV-HXUWFJFHSA-N	507.550	3.838	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873167706	UDMWFUWWNFPUHA-UHFFFAOYSA-N	502.659	3.986	10	10	KHCE	
CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC	2313558426	AGWZJGYBMWFNLR-UHFFFAOYSA-N	526.327	3.669	10	10	KHCE	
CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12	2313785317	WGYDTAQIOQULFD-UHFFFAOYSA-N	564.653	3.686	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N	33392972	ROFDUSUOJJXRAZ-YBFXNURJSA-N	500.646	3.659	10	10	KHCE	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COP(=O)(Oc3ccc([N+](=O)[O-])cc3)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	44265289	SZNPXGNCMDBAAE-UFYCRDLUSA-N	589.414	3.911	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1	101398279	XIRVOVPIIWFZDO-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864015842	WYRHONJACGJWJG-GOSISDBHSA-N	512.444	3.906	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2	1864018273	HLDKWFSNCOJBFZ-QHCPKHFHSA-N	501.587	3.942	10	10	KHCE	
O=C(C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868139984	GHQNGBQQCDFUHM-JOCHJYFZSA-N	510.546	3.872	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc([N+](=O)[O-])c(C)c4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1	1869970375	OWTQNDUHESGJHP-UHFFFAOYSA-N	527.585	3.802	10	10	KHCE	
CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2ccc(O)cc2)[nH]1	1871559893	RPHCTJYYNZKZOR-UHFFFAOYSA-N	511.630	3.674	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873163920	CLCNQBOPQPKTEF-UHFFFAOYSA-N	527.625	3.980	10	10	KHCE	
CC(C)(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1	2294093742	KTGMAWQFCIDFIB-UHFFFAOYSA-N	501.333	3.876	10	10	KHCE	
CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc32)SC1=S	2296711231	DTQCGFXJBPVHIR-UHFFFAOYSA-N	553.662	3.847	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1ccc(C)cc1	2297499352	VCQPOKUQAHUWFC-UHFFFAOYSA-N	547.014	3.888	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21	96460959	ODWNZAQGAKLCNF-AMWUQPRHSA-N	513.557	3.574	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1c(C)cccc1C	104559269	JBNLYPOKBYGSFT-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCCc2ccc(S(N)(=O)=O)cc2)cc1	205962878	XWXTVSJTTQVVSY-JJIBRWJFSA-N	547.662	3.810	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865026797	AKZZNULUYMWDQD-SOHPYSCWSA-N	510.978	3.576	10	10	KHCE	
CC(C)[C@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	1866753022	SLHGAJMGNZMWGX-LADGPHEKSA-N	502.542	3.847	10	10	KHCE	
Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C	1867575444	FDBWHBFYDYAVTE-IGYGKHONSA-N	611.743	3.604	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867603395	PEVYLRKDBSLDLU-SXOMAYOGSA-N	557.761	3.756	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1	1868631473	LVNMGINKNRPJEI-DEOSSOPVSA-N	500.555	3.633	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)C(C)C)CC2)cc1	1868652796	FMSAQKSWSAHZFH-HHHXNRCGSA-N	520.630	3.699	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1Cl	2297345918	NMAKGJSTDXWKHG-UHFFFAOYSA-N	504.977	3.549	10	10	KHCE	
O=C(CN1C(=O)SC(=Cc2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccccc1N1CCOCC1	2297560104	NAEXRDPJSJFPNP-UHFFFAOYSA-N	577.571	3.855	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N([C@@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	2314832594	JUAYGWLUCJZDJD-GUYCJALGSA-N	561.037	3.729	10	10	KHCE	
CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=N)N12	104709449	KRAKBAJZRITQCM-MRDWGVERSA-N	525.641	3.622	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084442256	PIJHQWJFNVEZPQ-HSZRJFAPSA-N	633.508	3.573	10	10	KHCE	
CCCc1nc2ccc(C(=O)N[C@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1	1862109062	LPPTZMJPSHQMAF-HSZRJFAPSA-N	509.676	3.724	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864018535	NDXNJURVXFMDPI-VWLOTQADSA-N	544.583	3.934	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864019978	SQAKGOIRLTZFSC-RUZDIDTESA-N	525.609	3.928	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865025923	FKOIEOHXVHMCMU-SANMLTNESA-N	544.583	3.506	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2coc(C)n2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867227061	IMNNOOMJDHOGIS-SANMLTNESA-N	551.555	3.592	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867693834	SQBSOSBGTIQPBE-QCENPCRXSA-N	634.243	3.669	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1	1868730466	KVHPRDQLKZEJPF-MUUNZHRXSA-N	543.664	3.865	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCc3ccc4c(c3)OCCO4)c3ccccc3)CC2)cc1	1868730992	XMJOTASTGXLRHW-PMERELPUSA-N	529.637	3.995	10	10	KHCE	
CC[C@](C)(NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869066368	XXIYAULEBAARDS-DEOSSOPVSA-N	503.525	3.609	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=N)N21	2297345721	VVFHUJIYDOQZCW-UHFFFAOYSA-N	506.009	3.768	10	10	KHCE	
COc1c(I)cc(I)cc1C=C1C(=O)NN(c2ccc(I)cc2)C1=O	2313518364	WLTQBCHZGCWANC-UHFFFAOYSA-N	671.998	3.970	10	10	KHCE	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	2313785218	GTBYZNFVGLPOEC-UHFFFAOYSA-N	580.711	3.653	10	10	KHCE	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	2314509520	VBTKEQHJUUOGFR-QGZVFWFLSA-N	541.676	3.800	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6353969	MSSGWWZBGCOYMZ-LYRGBEMXSA-N	586.508	3.644	10	10	KHCE	
[N-]=[N+]=N[C@@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	1857788713	LMCOBFDRFKDIJU-SODQHWRNSA-N	597.540	3.793	10	10	KHCE	
NC1=C(C(=O)NC[C@H]2CCCO2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864015503	AOIRKPDUMKYYDV-RCZVLFRGSA-N	538.604	3.999	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865026679	RAHJWBMFJGYGLI-AOMKIAJQSA-N	545.423	3.636	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865371725	OMFDEJZPPDARIT-VWLOTQADSA-N	526.641	3.999	10	10	KHCE	
COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)N(CCOC)[C@H](C)C2)n1	1868254124	FCPKJLGGNJPQJX-WOJBJXKFSA-N	529.641	3.730	10	10	KHCE	
O=C(COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO	1871260086	QLHIWYXOGVTXLA-UHFFFAOYSA-N	513.598	3.525	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	1873169792	VKNVCICBTNJAEX-UHFFFAOYSA-N	552.679	3.605	10	10	KHCE	
Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1C	2297345335	NVFQMLYDWWKXQE-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	59182223	IYRSIPWEHWKFOT-GZTJUZNOSA-N	503.422	3.790	10	10	KHCE	
O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Br)cc(I)c1O	59643936	JLHKBHGQNOZULH-UHFFFAOYSA-N	501.070	3.942	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1	101397718	KRKZTEYDOZJBIH-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110527810	YOZIJFNAOREREF-POKCEJIYSA-N	546.715	3.898	10	10	KHCE	
CCOc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1862060696	FJMMZAOHQMMEGO-MHZLTWQESA-N	505.590	3.923	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CC3CCCCC3)CC2)cc1	1862110605	UENKOYYHYASOLF-NDEPHWFRSA-N	521.658	3.967	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2	1864009298	DPZOMQUXKCENPA-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2	1864020145	WIZHKBLNTAJHCP-IBGZPJMESA-N	513.392	3.828	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CC)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864022149	UQKCGRGTKCJMTC-QHCPKHFHSA-N	534.613	3.700	10	10	KHCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1	1868170238	NXBQONUBNXJCBK-HNNXBMFYSA-N	517.588	3.999	10	10	KHCE	
COc1ccc(CCCN2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3)CC2)cc1	1869292967	MBDUEPBURJVFRX-UHFFFAOYSA-N	516.690	3.884	10	10	KHCE	
CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2314413660	DGQGSSJEBPNPBW-UHFFFAOYSA-N	532.651	3.720	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2=S)cc1	2314827433	DWPIAMXURMJXKS-UHFFFAOYSA-N	525.633	3.966	10	10	KHCE	
NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	2323799764	TUYMHBJIBJCPAP-LJQANCHMSA-N	530.027	3.904	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101911404	XLSWCVWJTJYQBF-DDPZXGHSSA-N	560.719	3.829	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3)CC2)SC1=S	105617075	KKIUOJZSPFGWSI-HAVVHWLPSA-N	537.711	3.520	10	10	KHCE	
CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	1083895585	KAFUWTIHITZGBV-CUTJPZLCSA-N	564.332	3.872	10	10	KHCE	
COc1cc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC	1867342823	HKLKNIGHJVKXAC-LOSJGSFVSA-N	572.772	3.973	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(F)cccc4Cl)cn3CCO)CC2)cc1	1870637839	CZUXMSCZKAGWEG-UHFFFAOYSA-N	501.986	3.543	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1	1871728935	ZUETXIJJGOVGSH-UHFFFAOYSA-N	518.625	3.955	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(SCC)=NSC3=NC2=O)cc(Br)c1OS(C)(=O)=O	2297345168	YROHETBKGVBYST-UHFFFAOYSA-N	533.451	3.516	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	2314400768	REICCAGLMQGCLD-IRXDYDNUSA-N	550.662	3.747	10	10	KHCE	
Cc1cc(NS(=O)(=O)c2ccc(/N=[N+](\[O-])c3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1	5729377	AYMVIVQKFDDNLC-QLYXXIJNSA-N	518.533	3.807	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	103920112	RLNBBGAVPLCMDV-XQNSMLJCSA-N	541.561	3.883	10	10	KHCE	
CCOC(=O)C=c1sc(=Cc2cc(C)n(-c3cccc4ccccc34)c2C)c(=O)n1CC(=O)NCc1ccccc1	254793108	ZZROLDFNIYCHII-UHFFFAOYSA-N	565.695	3.959	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	254843696	JSRMECGTBAKOMJ-SANMLTNESA-N	535.666	3.662	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(O)nc2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	504697723	LMCOBFDRFKDIJU-ZASNTINBSA-N	597.540	3.793	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019994	TYPSTNNUTSQHLD-RUZDIDTESA-N	525.609	3.928	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865032893	NLWRPJVXJIYCPS-QHCPKHFHSA-N	538.048	3.747	10	10	KHCE	
O=C(Nc1ccc(I)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O	1865880103	MLRRCOTVVYOHRB-UHFFFAOYSA-N	570.295	3.767	10	10	KHCE	
CCOCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccco1	1873596278	PWQRPSVDDCMYAJ-UHFFFAOYSA-N	518.618	3.564	10	10	KHCE	
COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2OC)cc1	2296538493	RWXYNSKDBYOZHV-GOSISDBHSA-N	545.660	3.711	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1	2297461477	FGLQCDQUTYWRGO-UHFFFAOYSA-N	534.663	3.875	10	10	KHCE	
O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1cc(I)cc(I)c1O	2313518318	OKNYQULYBMIOLW-UHFFFAOYSA-N	657.971	3.667	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c([N+](=O)[O-])c3)C2=O)c1	2313556981	PXZRFGKZYPVGMQ-UHFFFAOYSA-N	581.319	3.672	10	10	KHCE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778173	NPZPHBFJGJCUSQ-BRPDVVIDSA-N	576.719	3.859	10	10	KHCE	
COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)n3)CC2)cc1	102191735	OCBXXLMCRBFBPL-UHFFFAOYSA-N	560.724	3.717	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1C	1084281319	BLWYTRPWOKZTOR-ODLFYWEKSA-N	504.459	3.589	10	10	KHCE	
Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)c(O)c23)cc1	1848349867	BTSDIADYRCVWNV-NVQSTNCTSA-N	752.739	3.935	10	10	KHCE	
COc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc(OC)c1OC	1860589179	MYPAMTPMGCXEEB-UHFFFAOYSA-N	528.561	3.979	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1	1862271938	SBPVCWAMFCZGJC-QHCPKHFHSA-N	513.516	3.508	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864019514	KVVVBHWPDGHIBT-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865031032	XNHWNNXOHKCXAG-RUZDIDTESA-N	526.593	3.943	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3sccc3C)CC2)cc1	1865338447	HJSVWHZQOZRDCJ-QGZVFWFLSA-N	533.576	3.861	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865602560	KCGWRVKNVMWKMT-DEOSSOPVSA-N	518.662	3.872	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(N4CCSCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	2295979387	ACTJKPLMVINNIW-UHFFFAOYSA-N	524.693	3.966	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	33339562	MDLUDGCHJNZOGQ-LTGZKZEYSA-N	505.669	3.941	10	10	KHCE	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1	101428446	UYFZRGVBPHFSNM-RBTNQOKQSA-N	566.724	3.501	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	254710078	GMVPAJRBBCNYPI-ZKJWZFKJSA-N	503.624	3.538	10	10	KHCE	
CCOc1cccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1	1862050742	LJYNTDKWVBQXEE-MHZLTWQESA-N	505.590	3.923	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)CC1	1865031894	QUATYQPDVUVHAS-DEOSSOPVSA-N	531.657	3.866	10	10	KHCE	
CSCC[C@@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866898095	SDQLJWNVRTUEMP-HSZRJFAPSA-N	526.618	3.919	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1	1869122840	MHMSHKFHVLZTLZ-MHZLTWQESA-N	556.711	3.682	10	10	KHCE	
CCc1nc(N2CCN(CCc3ccccc3OC)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869124683	JAXXMWWXGWUAHT-UHFFFAOYSA-N	516.690	3.748	10	10	KHCE	
COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1	1873165810	VZAIYRUQFUAXBU-UHFFFAOYSA-N	526.637	3.845	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1	102431330	HBLBCRFVKDUDMJ-CJLVFECKSA-N	535.695	3.948	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N	110518716	NNQREWAUVFWCTD-JCMHNJIXSA-N	560.705	3.759	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	254862465	VEZPGYJFMYOSOM-QFIPXVFZSA-N	526.456	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc4ccccc4n3C)CC2)cc1	1862073343	HYHSGDLYHGXVGG-AREMUKBSSA-N	512.610	3.582	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864011643	XAHDLVZHBDZLOS-DEOSSOPVSA-N	511.582	3.950	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1	1864015768	FISGEQBHKRFWAK-JOCHJYFZSA-N	505.619	3.524	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2	1865034861	GMEUNRJMFHVIMJ-XMMPIXPASA-N	535.620	3.695	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(F)cc1F	1865416452	YYZFNJPQASELGI-HSZRJFAPSA-N	509.557	3.542	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867360361	ZCPVTOUNCZEQMR-DQEYMECFSA-N	527.691	3.856	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1	1868976870	PBIRCEHQLKLUKY-DEOSSOPVSA-N	522.671	3.979	10	10	KHCE	
CCC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869010828	LCNLUBKMNTYPBW-AREMUKBSSA-N	516.642	3.710	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)CC2)cc1	1872718793	MXKXLZDBBTYZPK-UHFFFAOYSA-N	516.019	3.877	10	10	KHCE	
CCOCCCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873162498	YJKYNFKJJYTWKH-UHFFFAOYSA-N	522.646	3.811	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@@]3(OC(=O)c4c(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cccc43)[C@H]2C=C1	2069787984	RJJVBDLSWSRSOI-RESPRDEJSA-N	632.718	3.649	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	2296144697	BSMAJDYWNVDVMJ-UHFFFAOYSA-N	553.685	3.788	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(CC(C)C)SC5=NC4=O)cc3)nc2s1	2297350719	DQGNFCQSSLECGJ-UHFFFAOYSA-N	521.628	3.958	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	2314764587	HAJHEUZPYVEGOU-UHFFFAOYSA-N	510.347	3.618	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	100850381	YELZPWLIJRHIKH-FPTXZJODSA-N	566.705	3.769	10	10	KHCE	
COCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1	100930281	DWPLRNDLGGXTIV-OAQYLSRUSA-N	538.670	3.646	10	10	KHCE	
COc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1	103377446	BGKGSMIMUKHGIV-MUUNZHRXSA-N	564.086	3.839	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861880371	DTDVFTRKDKZVSI-XMMPIXPASA-N	507.610	3.872	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864012838	KKWBMRDYKQTCLZ-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018618	PGVVGOYPZMKGJM-PGRDOPGGSA-N	525.005	3.548	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cn(C)c2ccccc12	1865359660	LJVMAKZQMDEJQK-AREMUKBSSA-N	526.641	3.755	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865590774	NUAIRLIHESAARO-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869036573	HEPMSKUTQLSLND-QDPGVEIFSA-N	511.622	3.832	10	10	KHCE	
COCCc1nc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869107097	VMXYQEBXMLVKPH-UHFFFAOYSA-N	565.740	3.691	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@H](C)O[C@H](C)C3)n4CC(C)C)CC2)cc1	1873550235	BGCMWSNVMTWIGZ-OYRHEFFESA-N	506.651	3.672	10	10	KHCE	
COc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c(OC)c1	2297345685	RVSWYAGXKGYKGS-UHFFFAOYSA-N	529.644	3.759	10	10	KHCE	
O=C1C(=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)SC(=S)N1CCc1ccc(O)cc1	2297580236	HSILXKWTIVITOA-UHFFFAOYSA-N	502.664	3.815	10	10	KHCE	
COc1c(I)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	2313560999	OWRJEFHYVSJSAR-UHFFFAOYSA-N	572.109	3.637	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(SCC)=NSC3=NC2=O)cc(Br)c1OS(C)(=O)=O	104557706	YROHETBKGVBYST-MAKGGSPHSA-N	533.451	3.516	10	10	KHCE	
CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@@H]1N=Nc1ccc2ccccc2c1S(=O)(=O)O	255973464	GCEMWNJIUIGABR-GOSISDBHSA-N	522.948	3.862	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864007847	WFASGZUFAOABGK-VWLOTQADSA-N	540.576	3.780	10	10	KHCE	
NC1=C(C(=O)NCCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022595	PPDYQBFPWNJBIQ-HXUWFJFHSA-N	537.498	3.751	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865027012	DAKKWPVBCNAMRP-RUZDIDTESA-N	547.011	3.961	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1865032141	WLFJBLZJNUOISW-XMMPIXPASA-N	544.583	3.684	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1865033904	KCQUQHBROICRDT-FQEVSTJZSA-N	546.546	3.514	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1Cl	1865162690	ATKFVCFDNARQFF-HSZRJFAPSA-N	508.022	3.917	10	10	KHCE	
COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)nc(O)n2)cc1	1868618082	UEBKBJPPNAUELV-MUUNZHRXSA-N	553.619	3.686	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCCCO)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1	1871497000	RPDFQHUXNHIXHV-UHFFFAOYSA-N	519.694	3.882	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	2297346472	LDBIXRSISRIGMD-UHFFFAOYSA-N	520.980	3.667	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297508976	DSAZOIMOMQKEJQ-UHFFFAOYSA-N	627.561	3.954	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(OC)c(Cl)c3)c3ccco3)CC2)cc1	38619427	IRAXDWFFCQQACG-QFIPXVFZSA-N	506.024	3.792	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4OC)cc3)C(=N)N21	101395540	WNXZVUWKRHWYCA-NMAWJPFASA-N	528.612	3.554	10	10	KHCE	
CCN1C(=O)/C(=C\c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C(=O)NC1=S	1083925427	SUCZYKLYCQAVOU-NVMNQCDNSA-N	542.411	3.858	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864008795	SIRKQQRGJUESNT-VWLOTQADSA-N	512.566	3.671	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864016617	UFXQVJHWYGPZRU-VWLOTQADSA-N	539.636	3.690	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865030340	HZRLGBSCOKDCDA-AREMUKBSSA-N	546.668	3.837	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1	1868769610	YDEWBIADXWNNIS-SSEXGKCCSA-N	553.663	3.893	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccc(F)cc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1	1871718033	VNURVOIALNXMNS-UHFFFAOYSA-N	515.593	3.872	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NCc3ccncc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873163967	FWQSHMGVCYQSMA-UHFFFAOYSA-N	527.625	3.980	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1	2296929543	FUGOTFCAGCFBLA-FQEVSTJZSA-N	577.732	3.718	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)[C@H](c2ccc(Cl)cc2)C1	101023993	MSIUBLPBFRUMIJ-DEOSSOPVSA-N	540.089	3.892	10	10	KHCE	
COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	103813883	OXWRIRVLMDECSH-XNTDXEJSSA-N	602.166	3.609	10	10	KHCE	
Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1cccc(Br)c1	105156726	YIZZZJWBPRAHDV-UHFFFAOYSA-N	534.395	3.928	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531471	JCPJINYIARKUIL-HBAFHOPNSA-N	629.805	3.683	10	10	KHCE	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1C[C@H]1CCCO1	110556558	SDXOKPVMZYYAKU-QADUPLGGSA-N	596.756	3.940	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867432085	HLNDDJGTDONTAM-NSOVKSMOSA-N	561.727	3.999	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868644493	VEYYEXDOFBRXGM-NDEPHWFRSA-N	508.594	3.974	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)CC2)cc1	1868885072	KJOSDNNLRTYONH-YKSBVNFPSA-N	549.697	3.602	10	10	KHCE	
COCCNC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870966503	GOAQPFOHRIBJJC-VWLOTQADSA-N	506.603	3.524	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	2296696730	VXTUHGHIZBKUHA-IRXDYDNUSA-N	522.652	3.718	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	2296697758	JATWULGNVLFCMJ-UHFFFAOYSA-N	505.669	3.546	10	10	KHCE	
O=C1NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(I)cc(I)c1O	2297320774	ZKMUOYGGRAXPNM-UHFFFAOYSA-N	566.520	3.716	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=C(C)c3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3)CC2)cc1	2331349088	PIPMVBMQLGZQNC-SSEXGKCCSA-N	576.719	3.555	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864009913	NGHZOPVJYJBNRB-XMMPIXPASA-N	524.593	3.808	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1	1869122908	NRWPEBLMHTVECW-MHZLTWQESA-N	532.664	3.559	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCCc3ccccc3)C2=O)cc1	1873170212	QWNANJPUJJBWRU-UHFFFAOYSA-N	512.654	3.729	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OC	2294095338	QJMQBDLFOQFLSO-UHFFFAOYSA-N	506.296	3.673	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	2314401464	ZKCIYIGXEWQRGA-OALUTQOASA-N	602.742	3.820	10	10	KHCE	
O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc4cc(S(=O)(=O)CCOS(=O)(=O)O)ccc4c3S(=O)(=O)O)c(O)c12)c1ccccc1	2333207366	HIJJKUHQANBAOM-UHFFFAOYSA-N	845.842	3.700	10	10	KHCE	
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	100885699	LYLXKLNEGIQVNB-ZHNJOBQTSA-N	594.784	3.850	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	101909641	GQNZASNXPPNNHJ-QFVADWCQSA-N	589.761	3.696	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864012599	DTGNSMVSHQABDZ-JPYJTQIMSA-N	539.032	3.938	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864015169	KYNHIZVKZLTWPT-LJQANCHMSA-N	532.519	3.848	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865027057	DWCDWNRIHJDSIB-QFIPXVFZSA-N	512.994	3.561	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865583063	ZHRANQZXAKHPBH-XMMPIXPASA-N	517.630	3.526	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867723693	KYBPVDUUDFRWKU-UHSQPCAPSA-N	508.663	3.920	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793524	UJDYXXNAOZWDNN-GRKNLSHJSA-N	580.730	3.739	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804731	RYPUWEGRMHPLMP-PWUYWRBVSA-N	555.676	3.920	10	10	KHCE	
CCCC[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868919671	QELZOQBCMPIYAM-VWLOTQADSA-N	550.729	3.997	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)NCCc5ccccc5)[nH]c4c3)CC2)cc1	1872824453	AAVSXPJWKVVJLR-UHFFFAOYSA-N	529.666	3.985	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1OC	2370486	KQBRVFSUEBPGRS-XSFVSMFZSA-N	510.641	3.530	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1	20208344	MLGJSOFMBSKTRP-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501135	HASCOZIKELQXLC-ORVZPOCUSA-N	586.626	3.843	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	150439366	PVDUULJKXUQOTR-XQJRBFNUSA-N	668.351	3.937	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1	1864009308	DYOALIKSJLTOTF-HSZRJFAPSA-N	520.586	3.591	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864021283	OQTWJBYWXBIGJK-VWLOTQADSA-N	527.625	3.762	10	10	KHCE	
CCN(CCc1c(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12)C(=S)NC	2296223327	XPOLBVGQZOOVLX-UHFFFAOYSA-N	510.019	3.856	10	10	KHCE	
CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O	2296720916	WVVHHZBWPCEYNW-HNNXBMFYSA-N	501.033	3.932	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2OC)cc1	2297345315	LPSCNLJPBHUVKT-UHFFFAOYSA-N	542.639	3.727	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)O	2297578602	JGYSWLDORCEMJO-UHFFFAOYSA-N	523.723	3.549	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	102476524	YYIFXLNGROFZMR-NGYXKBBWSA-N	538.651	3.686	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@@H](C)O1	110556631	WOLYEVZDZNCMBT-VKLZREONSA-N	593.731	3.640	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc4nc(CC(C)C)[nH]c4c3)CC2)cc1	1862106779	HBEIMLHWKSWEAH-XMMPIXPASA-N	507.660	3.634	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1	1864008486	LFZBFXQRWJXAAG-NRFANRHFSA-N	543.418	3.592	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2	1865026511	OUEUUZGSEUTFET-JOWJHRDDSA-N	506.578	3.989	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NCCN(CC)CC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873169204	FAKVOZGGEAHVHT-UHFFFAOYSA-N	535.689	3.726	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1O	2294259061	FKWZGSDACBUUGP-UHFFFAOYSA-N	512.179	3.757	10	10	KHCE	
O=C1C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	2296546353	VUNDJEDKISLROL-HXUWFJFHSA-N	558.641	3.970	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(I)c3O)C2=O)cc1	2313510299	MPBRAKLSGCJZBF-UHFFFAOYSA-N	527.112	3.734	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	43732532	QISHERPDNUYSOB-JAMKYWPSSA-N	519.648	3.988	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)cc1	101397744	HTGXSXDOOLSVIC-SVKNRIHUSA-N	542.639	3.727	10	10	KHCE	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	1084224437	PELINNDTNKYQJH-JYRVWZFOSA-N	527.112	3.729	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864019349	JFGBPUCBQGUSPI-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2	1864020455	ZIKHAKJZBXYXPQ-LJQANCHMSA-N	511.376	3.582	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1	1864020724	GACJZCGIWZMPKF-NPMXOYFQSA-N	522.602	3.856	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC(=O)OCC)Cc1ccccc1)=C(N)O2	1865030469	KJSAATYYPQMVJN-VWLOTQADSA-N	548.640	3.943	10	10	KHCE	
Cc1ccc(CN2C(=O)C(=Cc3c(NCCCN4CCOCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1	2296792981	NNMUBRFDZQVHFD-UHFFFAOYSA-N	549.722	3.847	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1O	2313561083	SXTSGKWKJOOABK-UHFFFAOYSA-N	557.138	3.824	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314828545	GQNZASNXPPNNHJ-FQEVSTJZSA-N	589.761	3.696	10	10	KHCE	
CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	40066509	ZLMOMIYCRKDUEN-ODLFYWEKSA-N	514.604	3.866	10	10	KHCE	
CCS(=O)(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1	103175336	XKERFVPTNUVPTF-NRFANRHFSA-N	558.726	3.823	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1	526567834	YZVKJQDNQBKNOG-DEOSSOPVSA-N	521.522	3.975	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cccnc1	1867281409	OVNSURUHPBZFPK-RRPNLBNLSA-N	518.573	3.956	10	10	KHCE	
CCCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870410278	OMOLTCKJXJPENN-HSZRJFAPSA-N	518.658	3.845	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873165479	KSSXHWFEIFFPMW-UHFFFAOYSA-N	518.639	3.554	10	10	KHCE	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1Cl	102482903	LGBZFSKNQFOORW-APSVEGKFSA-N	534.012	3.936	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1	1862180344	DGXHRMMVBSZVAX-QFIPXVFZSA-N	504.052	3.595	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864009542	AIZSEHNTHGYGCJ-RUZDIDTESA-N	540.576	3.976	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864013189	RXLOQIWUMJNKKB-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865017284	IIXFEUIFLMFNGU-DEOSSOPVSA-N	501.631	3.908	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865030332	HZAOOROFHFPLQE-AREMUKBSSA-N	545.684	3.942	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865355424	UFSGPBBGRAQENB-HHHXNRCGSA-N	538.652	3.825	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867723694	KYBPVDUUDFRWKU-WNJJXGMVSA-N	508.663	3.920	10	10	KHCE	
O=C(CC[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874016222	CTAOTFFJZMDVIU-LJQANCHMSA-N	507.424	3.723	10	10	KHCE	
COc1cc(Br)c(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC	2297100682	ZAVDJNNFNNPXTO-UHFFFAOYSA-N	529.128	3.532	10	10	KHCE	
COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1	2297477436	KHVBSGMWEHBWND-UHFFFAOYSA-N	501.542	3.707	10	10	KHCE	
CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	2314760411	JLSSTTKZBJDFJF-UHFFFAOYSA-N	506.646	3.631	10	10	KHCE	
C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O)C(=O)O	2314931383	NLLYQIAPVYZXNG-NSHDSACASA-N	507.387	3.847	10	10	KHCE	
CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc(Br)ccc2O)N3)CC1	14460964	DSLODMQPFMEHQP-IEGUWTFLSA-N	504.450	3.917	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1	33904132	QJOUSJPVYONDAF-TVQWTUMOSA-N	520.586	3.905	10	10	KHCE	
O=C(CCN1CCOCC1)NN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	35519103	DQNUWKZCOMUCCL-AQTBWJFISA-N	511.547	3.920	10	10	KHCE	
Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1	96460039	QRXFPRHLZGECDF-YMINWEEVSA-N	519.004	3.727	10	10	KHCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	98026885	NPQSFCZXIMOKKZ-XMHGGMMESA-N	503.671	3.862	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	103648122	VHWGMNQNCFDYDR-FCDQGJHFSA-N	577.732	3.863	10	10	KHCE	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1	606671899	BVKLREPTKLZSJP-VDORGGRHSA-N	553.706	3.539	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1	1861935559	LTDDWPOZXIOLGO-YJZYYXGHSA-N	515.610	3.932	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1	1864022729	QDNLEEMCTJULPQ-GOSISDBHSA-N	520.483	3.916	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1865027279	XHJINSBMIXCNLK-AREMUKBSSA-N	543.599	3.971	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(C(C)C)cc3)CC2)cc1	1865153811	IKPHFAMMDVWMDY-VWLOTQADSA-N	501.631	3.904	10	10	KHCE	
COc1cc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c(OC)c1OC	1866545601	MQTKLTGCERZRQV-QFIPXVFZSA-N	508.619	3.577	10	10	KHCE	
CSCC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867263791	NBUXCIYYHURCKU-QHCPKHFHSA-N	554.628	3.920	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc(-c4cccnc4)n3)CC2)cc1	1868004088	IYXVUYYEJNSNSY-UHFFFAOYSA-N	565.678	3.925	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCNc3ccccc3OC)CC2)cc1	1868795745	MNFYTZFLPGRVKP-HHHXNRCGSA-N	534.632	3.721	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC(CS(=O)(=O)c5ccccc5)CC4)nc(C)n3)CC2)cc1	1869288589	XVJGSSZFYMHUOL-UHFFFAOYSA-N	521.687	3.811	10	10	KHCE	
CC(=O)NCCN1C(=O)C(NC2CCN(Cc3ccccc3)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873162262	NFKWCSFGPDLBRG-UHFFFAOYSA-N	539.680	3.564	10	10	KHCE	
COc1ccc(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC	1873165635	NWPDWDWBBZCMMY-UHFFFAOYSA-N	516.642	3.933	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccc(C)cc1	2297345009	GTYVRRUFNDRIMG-UHFFFAOYSA-N	530.653	3.796	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(C)cc1	2297345873	JTMAIHJCKWVZRK-UHFFFAOYSA-N	526.596	3.623	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314600152	LVDOLONIHDFFQD-LJQANCHMSA-N	518.682	3.785	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	33387061	QPEXLSLTZRYYBU-LUJYGJGBSA-N	507.685	3.670	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	101397345	WTTLBWMONMYGAU-NSNCLKJASA-N	528.015	3.995	10	10	KHCE	
O=C1/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1	105469891	CWDITADPICJRCY-JLPGSUDCSA-N	575.716	3.889	10	10	KHCE	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	1084467299	FDICFZAOKLDEDR-WOJGMQOQSA-N	543.432	3.638	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864009610	CBBBZSANUCJXBO-HSZRJFAPSA-N	516.554	3.849	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864015819	WFKVTCSKGMLCKT-SFHVURJKSA-N	520.483	3.967	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865029886	XQCQLOQZAWHSHH-RUZDIDTESA-N	531.657	3.544	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3cccc(I)c3n2)c2nccn2C)cc1	1866527560	FTTKGNUQDNRXFM-HXUWFJFHSA-N	527.366	3.864	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867134698	SFTQVSZBHSYYIC-IBGZPJMESA-N	515.547	3.799	10	10	KHCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1	1868170239	NXBQONUBNXJCBK-OAHLLOKOSA-N	517.588	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H](c3ccccc3)N(C)C)CC2)cc1	1868674870	GZAKOTVQSYTFHJ-NSOVKSMOSA-N	518.633	3.513	10	10	KHCE	
CC(C)(C)OC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870868239	ANCVTGCMAKWGBF-UHFFFAOYSA-N	509.603	3.933	10	10	KHCE	
CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1	1871634088	HQCNVSXTTDAQRF-UHFFFAOYSA-N	511.630	3.805	10	10	KHCE	
COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1	2296711391	VTLYAPQSPYIRQU-UHFFFAOYSA-N	539.635	3.897	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC	2297295603	LSQXVPKDDMJQAO-UHFFFAOYSA-N	517.654	3.583	10	10	KHCE	
Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326941532	GAQJMAQLSHPICO-UHFFFAOYSA-N	516.000	3.680	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1	15034853	RZBFSFWQTNGZHN-LSPINASFSA-N	514.581	3.532	10	10	KHCE	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1	101429216	LPFCQAHZGVXFJY-LYZGTLIUSA-N	545.709	3.965	10	10	KHCE	
CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143323993	TYJARYMPNRZJAZ-UTYYKHSJSA-N	560.698	3.578	10	10	KHCE	
CN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(C)c2=O)C(C)(C)c2ccccc21	252671659	NXFPIPUJFMOXNJ-UHFFFAOYSA-N	521.646	3.606	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1	1864017131	GCDSGWINHSVCEJ-QHCPKHFHSA-N	527.581	3.821	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1865030112	COUVARBBIHTMIA-DEOSSOPVSA-N	538.620	3.750	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2	1865035153	MKGNKTQDTIUFPU-XMMPIXPASA-N	535.620	3.695	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	1865643658	SONMVDBKNICOSM-RUZDIDTESA-N	546.628	3.808	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866639474	XVHFNYNTMZWHEX-GDLZYMKVSA-N	547.633	3.558	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437239	DBTJHKZHSQKMAK-WXGMZPBLSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1	1868656705	AAACXENQEHVAMR-VWLOTQADSA-N	552.697	3.796	10	10	KHCE	
O=C(O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	2313560672	BPPYRJRMLAFMAK-UHFFFAOYSA-N	697.017	3.788	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	2314399377	VFPPUBGVBMCURD-UHFFFAOYSA-N	563.705	3.991	10	10	KHCE	
Cc1cccc(NC(=O)[C@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1C	2326943784	UAFGFJFLUIADFA-HNNXBMFYSA-N	509.609	3.723	10	10	KHCE	
Cc1ccc(OCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c(C)c1	96459710	PQPZGDXIJWRLLI-ADKREUBMSA-N	521.624	3.958	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@H]3CCCO3)nc12	100885803	RKFLQKGDPNBKTB-INKLHFNDSA-N	588.715	3.797	10	10	KHCE	
CCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)C[C@H]1C	102970509	QGJXCRYNCPLZOX-HXUWFJFHSA-N	561.152	3.807	10	10	KHCE	
CCCCn1c(=C2C(=O)N(c3ccccc3)N=C2CC(=O)OCC)sc(=C2Sc3ccccc3N2C)c1=O	254701675	VFIODHRDORTCDU-UHFFFAOYSA-N	548.690	3.524	10	10	KHCE	
C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1	1865033488	ASACCNXRUIKXMH-BIENJYKASA-N	529.519	3.896	10	10	KHCE	
O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1	1873957900	NJJGWZVLQKBPFB-LJQANCHMSA-N	506.562	3.921	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	2297345780	BJDGKKXNBWJKSA-UHFFFAOYSA-N	528.015	3.995	10	10	KHCE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	2314650450	HMCBIYSAIDPERE-OAHLLOKOSA-N	579.659	3.723	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C\c2ccc(N(CCBr)CCBr)cc2)SC1=S	95870597	UYXYREKNWAGXHS-SDNWHVSQSA-N	522.284	3.959	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N(CCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	101974614	XUBJXYXUEORSIH-BCUAHEQISA-N	561.037	3.731	10	10	KHCE	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	102682251	YKQHFYJQDCCGFI-PPRFWAEMSA-N	539.660	3.699	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	103920178	RSMDVMMIKRGMCU-LFVJCYFKSA-N	523.546	3.673	10	10	KHCE	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O	105487183	SRIDQHRAKXGZBI-HBMCJLEFSA-N	502.866	3.943	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	247934954	DIYYIWINDHRXTH-UAKAABGRSA-N	501.377	3.573	10	10	KHCE	
CCOc1cccc(-c2nc3ccc(C(=O)NCC(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)c1	1862081542	HRLODNBOTAXVSR-UHFFFAOYSA-N	513.598	3.716	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864021537	CLXAJJFKFCORFR-SFHVURJKSA-N	502.493	3.777	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1OC)[C@@H]2c1ccc(O)c(O)c1	1864022707	QBDMGFJJAAVSJK-GOSISDBHSA-N	518.492	3.743	10	10	KHCE	
CCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)cc1	1865272968	DHGSYYGHTWVFQL-RUZDIDTESA-N	531.657	3.823	10	10	KHCE	
CCOCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871688159	ANCQGQFSSSOUFA-UHFFFAOYSA-N	507.639	3.528	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(C[C@H]3CCCO3)C2=O)cc1	1873419041	MCVBLPAXHOUGSX-JOCHJYFZSA-N	519.623	3.869	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3OC)CC2)cc1	1874643482	YSOIHDLZKDPKDA-MHZLTWQESA-N	512.610	3.875	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1	2294124622	IGPNKOYCLXZTCE-UHFFFAOYSA-N	510.138	3.982	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2OC)c1	2297345079	OWBQULMAOCWFBC-UHFFFAOYSA-N	542.639	3.645	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N	33812233	DOBOOUNCOULSAM-BFURNPMBSA-N	516.689	3.894	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1	103602804	OXMNVYJRRRZBGE-IHRWIMNOSA-N	533.610	3.532	10	10	KHCE	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1	725439263	QFPSCKXFXDDGOJ-VWLOTQADSA-N	505.640	3.653	10	10	KHCE	
CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990960	IOEIAMKNPOIGJJ-GJZUVCINSA-N	513.082	3.804	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015388	QETZITWPYDHJSN-SGTLLEGYSA-N	518.492	3.920	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3)c2O1	1864015826	WRHZTBAYGTTYRL-KRWDZBQOSA-N	520.895	3.988	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864017638	QSCUJKUXPTXHAT-JOCHJYFZSA-N	502.596	3.961	10	10	KHCE	
CCCCOc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC	1867681194	XDVIWQGRMOQOCH-KAYWLYCHSA-N	554.732	3.764	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1	1869029976	ZAIMRUZIAKUXDR-HSZRJFAPSA-N	534.520	3.895	10	10	KHCE	
COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C[C@@H]1C	1869070513	CWJJBBDMVUCRIV-DQEYMECFSA-N	530.717	3.948	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1cc(C)cc(C)c1	2297345151	XENLOVDYSWVJQI-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2313547762	BHWZDILTQUEXBZ-UHFFFAOYSA-N	525.319	3.739	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1	2314842130	AYWAPGYMDDXZJF-INIZCTEOSA-N	579.450	3.904	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1	103700877	IJUUUBZECZISOU-RELWKKBWSA-N	548.690	3.918	10	10	KHCE	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S	105623004	SSJJBXLUAQPKSY-LNVKXUELSA-N	601.795	3.606	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](C(=O)O)(c1ccccc1)N[C@H]2c1cccc(OC)c1O	247946136	ZQDOKSMZTDQQJN-PUMORYBASA-N	514.578	3.956	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864011800	LCUYLDUYTSAKKD-QFIPXVFZSA-N	506.946	3.908	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864013229	TYIUKBKHEMYBTD-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864013278	UXHMWLBGLAWJDR-RUZDIDTESA-N	533.673	3.756	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864015811	VYDOEJDTZITWHC-SFHVURJKSA-N	518.492	3.778	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865030606	NBBAXUDRHZCTCC-RUZDIDTESA-N	528.609	3.925	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)=C(N)O2	1865030973	WDYBDYUQHATXRO-VWLOTQADSA-N	531.657	3.614	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1	1865033777	HXWKVXWKNGZCOR-SFHVURJKSA-N	518.467	3.818	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC	1867308127	FNJGUNYRBRPCOR-LOSJGSFVSA-N	542.746	3.965	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1	1868636201	MTUKPZBDIGBGGL-XMMPIXPASA-N	518.545	3.772	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccccc4)cn3CC(C)C)CC2)cc1	1870756425	SAALBLDPNCXWKR-UHFFFAOYSA-N	504.631	3.853	10	10	KHCE	
CCC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	2297497923	JCDCIZUEKPGDHF-SJCJKPOMSA-N	557.930	3.676	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509053	PBHMWTVVZYVFQG-UHFFFAOYSA-N	562.692	3.582	10	10	KHCE	
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O	2313562079	CLSNBTWYLFOJTL-UHFFFAOYSA-N	501.495	3.719	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1	2314832051	YPJPARQSIJLVIY-UHFFFAOYSA-N	507.634	3.873	10	10	KHCE	
CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N(C[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N=[N+]=[N-])C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O1	198688239	IGTKSJOVOOVXQS-JGLXJUIKSA-N	874.726	3.939	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864013600	DJFJYKFHZPNGAM-QHCPKHFHSA-N	516.602	3.587	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865032635	HMIXJTRYTOYJQH-HXOBKFHXSA-N	539.032	3.957	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865038679	XIOHHVNGRNNXFE-XMMPIXPASA-N	523.678	3.684	10	10	KHCE	
C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867403228	CLROPUANXAGLNP-JPYJTQIMSA-N	501.469	3.977	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1	1868944159	ULUBTKJESNKALF-PZGXJGMVSA-N	531.653	3.979	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)(C)C)cn3Cc3ccco3)CC2)cc1	1870446219	VGAYBGQMPTZFHD-UHFFFAOYSA-N	509.603	3.541	10	10	KHCE	
CCCCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870493166	BNKGMTQBRUMHOS-UHFFFAOYSA-N	510.679	3.617	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC(C)CC3)ncnc21	1873557481	QYSUXQRQBCETIN-UHFFFAOYSA-N	506.651	3.675	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1OC	2297341084	SPDZOFHRQXBKCF-UHFFFAOYSA-N	512.569	3.871	10	10	KHCE	
N=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2297467915	NLXCMFONYVMNAU-UHFFFAOYSA-N	524.002	3.787	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	2314476136	JINZDXVURDZMCG-ROKPMTFOSA-N	658.849	3.726	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1OCC(=O)O	2314932723	OXEDTTQWOLBAQP-UHFFFAOYSA-N	537.413	3.857	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Br)cc1	33356309	YJLLGSODEXRVHE-MRDWGVERSA-N	549.428	3.658	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccc(OC)c(OC)c3)CC2)cc1	59523589	ZOPPBDNCTAJFKU-LOYHVIPDSA-N	575.662	3.989	10	10	KHCE	
Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc1	101443594	NOGGRTKRSYGTED-BWAHOGKJSA-N	528.634	3.964	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1	1862182065	NVSJZSUHZKCNCZ-HSZRJFAPSA-N	520.095	3.931	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864019626	NVQUNRUZVXEADX-DEOSSOPVSA-N	520.630	3.839	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)C(C)C)CC2)cc1	1868634739	POHNUAILKRUMLD-MHZLTWQESA-N	504.631	3.999	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1	2297346511	RUBOGVHFWXOFMF-UHFFFAOYSA-N	532.625	3.623	10	10	KHCE	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1	2314508210	NTVNXEUHYQHDAY-KRWDZBQOSA-N	541.676	3.800	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600287	XJIFGCLTXIZACB-GOSISDBHSA-N	520.723	3.782	10	10	KHCE	
CC(=O)O[C@H]1[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H](COC(=O)c2ccc(C)cc2)[C@H]1N=[N+]=[N-]	2333127834	OITVYNLIELPNNX-GDLBMTQOSA-N	556.539	3.752	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1C	101397738	OTKRYLVGXOKLQA-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(C)c(C)c1	104557813	LOFWHSNMRXGTAG-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252668908	FXKWVJKZOFVETQ-HHHXNRCGSA-N	541.677	3.667	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865032988	PFCRPNJSRAVDME-HSZRJFAPSA-N	538.048	3.747	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3sccc3C)CC2)cc1	1865333719	GMQUIMDTMOIBSW-XMMPIXPASA-N	542.665	3.998	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(C(C)(C)C)n3)CC2)cc1	1869194552	NLHJIXCQZWKVID-SANMLTNESA-N	518.637	3.926	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(OC)c3)C(O)=NC2=S)cc1	33039580	MBGAQWDWXUFVQW-NTUHNPAUSA-N	510.309	3.686	10	10	KHCE	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101909576	PTZWWAWHUCTVQC-FYYJVHHASA-N	573.762	3.995	10	10	KHCE	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1	1084322343	YYXKVTPTEZWEQE-BKUYFWCQSA-N	519.579	3.729	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864012169	SZAYPRWRTFVMOT-XMMPIXPASA-N	518.520	3.940	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2	1864014104	NKKAZXVRWRYKCN-HSZRJFAPSA-N	522.602	3.555	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccc4nc(O)c(C)cc4c3)CC2)cc1	1868815602	QGDHKNRERKBYDE-GDLZYMKVSA-N	538.648	3.876	10	10	KHCE	
CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870649598	IJOPYKMXIUCYCU-UHFFFAOYSA-N	511.022	3.870	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873168845	MCGOQOKOYOPYOI-UHFFFAOYSA-N	552.679	3.605	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c(C)c1	2297345330	NILQVKIHLYABCI-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c(CCN(C)C(=O)c4ccccc4)cc4c(c3OC)OCO4)C2=O)cc1	2297639081	ZYTFOSBCARTDRS-UHFFFAOYSA-N	571.586	3.804	10	10	KHCE	
Cc1ccc(CN2C(=O)/C(=C\c3c(NCCCN4CCOCC4)nc4ccccn4c3=O)SC2=S)cc1	102861392	LZLAFFMNIMAYHA-OQKWZONESA-N	535.695	3.539	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(N2CCC(Cc3ccccc3)CC2)n(C)c(=O)c1C#N	110519057	XUOZIMNSYQZXTR-JCMHNJIXSA-N	536.679	3.700	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	137786789	ZWDWFNYRQVXCPI-VPGCCFRLSA-N	533.610	3.703	10	10	KHCE	
CC(C)CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858663497	LAGJORDKVJSDDZ-UHFFFAOYSA-N	519.579	3.635	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864009014	XLMUYIBNXYYVCL-JOCHJYFZSA-N	512.994	3.871	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864012956	MXBIQVGVKRGHPH-HSZRJFAPSA-N	524.593	3.672	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1	1869107166	XZFFHTGLGAPEHO-DEOSSOPVSA-N	565.740	3.691	10	10	KHCE	
COc1ccc(N2CCN(c3nc(N4CCOCC4)c4cnn(-c5ccc(Cl)cc5)c4n3)CC2)cc1	1873486078	KSZXDXAWUYQGCT-UHFFFAOYSA-N	506.010	3.641	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O	2314831827	SSSWUCCSVJIIQN-UHFFFAOYSA-N	549.696	3.839	10	10	KHCE	
Cc1ccccc1N1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)C(=O)NC1=S	100104061	YSKXFYJXMNUZDB-WDZFZDKYSA-N	590.180	3.741	10	10	KHCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1	100149234	YSYZRNOQIPUGKR-HKWRFOASSA-N	531.400	3.556	10	10	KHCE	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	102771183	DEWVEOAKBDJTOB-AKZCVUIYSA-N	504.616	3.525	10	10	KHCE	
Cc1c(N2C(=O)/C(=C\c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	150421947	RRKYSYSRVXOBIX-TURZUDJPSA-N	693.811	3.949	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1	1864011346	HDSQVKQUKCRYBL-AREMUKBSSA-N	544.583	3.852	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864018847	RZFFQPSQXSLHOG-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@@H]2CO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031788	OCPBCELPMWTFRI-QPPBQGQZSA-N	524.577	3.628	10	10	KHCE	
CCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)cc1	1865272969	DHGSYYGHTWVFQL-VWLOTQADSA-N	531.657	3.823	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccco1	1865313256	VLGYAODRKSAGND-IBGZPJMESA-N	531.535	3.957	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(OC)cc4)[C@@H]3c3ccc[nH]3)CC2)cc1	1865599095	QQBGMWQUNKKKBP-SANMLTNESA-N	540.624	3.569	10	10	KHCE	
CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1868019184	NHOXOCBCKQTQPC-UIOOFZCWSA-N	534.657	3.805	10	10	KHCE	
COc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	2296730343	YSBMCSOEGXPICE-SFHVURJKSA-N	508.625	3.695	10	10	KHCE	
CCCC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(C)sc5n4)c(OCC)c3)C(=O)N=C2S1	2297350705	BYNCXLUUYQVUON-UHFFFAOYSA-N	537.627	3.856	10	10	KHCE	
CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N(CC)CC)c(OC)c2)SC1=S	2314761255	QSXBNANJFKFOAA-UHFFFAOYSA-N	559.504	3.859	10	10	KHCE	
CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(CC(=O)NCC(=O)O)C1=O	2323831253	LKGMFIUOCARYNG-UHFFFAOYSA-N	520.942	3.532	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccc4c(c3)OCCO4)c3ccccc3)CC2)cc1	2330518036	WOGIHJRKUBEFDF-GDLZYMKVSA-N	513.594	3.686	10	10	KHCE	
COc1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4/C(=O)Nc5ccccc54)S3)s2)cc1	102371654	MPNXDIXLLKMQFE-MSUUIHNZSA-N	524.609	3.682	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	254820898	JKFZZNOEXFQAJO-AREMUKBSSA-N	535.666	3.662	10	10	KHCE	
CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@@H](O)[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C	1857788714	RDQRDOKBHVFHEN-QZIZDEJHSA-N	571.668	3.846	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865029696	TWHDYAFEMRSZSA-RUZDIDTESA-N	531.657	3.792	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cc(C)ccc3O)CC2)cc1	1865196891	VKZMZMCCXVEMRW-SANMLTNESA-N	531.657	3.914	10	10	KHCE	
CCC[C@@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867229561	YTGDRGXZWIANSF-RUZDIDTESA-N	579.650	3.924	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867423351	PUEUWAQQXJONEN-WUFINQPMSA-N	561.727	3.856	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867801213	IRHXOQOINQQSER-ZCYQVOJMSA-N	555.676	3.920	10	10	KHCE	
CC(C)(C)OC(=O)N(CCC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1cccnc1	1868149742	HRKIBQBMVWJPHU-UHFFFAOYSA-N	542.592	3.739	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1	1869228810	JFILUBLRAFHTKY-AREMUKBSSA-N	530.648	3.849	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCCOc4ccccc4)cn3CCCO)CC2)cc1	1870316664	GVFOHXKPDSZXOV-UHFFFAOYSA-N	521.658	3.800	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCOC(C)C)n4CC(C)C)CC2)cc1	1873578555	CYNRCMMBBDUKSM-UHFFFAOYSA-N	508.667	3.967	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1	40316956	LYUFMRAHQORSGT-FGZHOGPDSA-N	525.509	3.724	10	10	KHCE	
COc1ccc(N2CCN(CCNC(=O)c3cccn4c(=O)c5cc6ccccc6cc5nc34)CC2)cc1	59514974	UEAATROZEOCIDP-UHFFFAOYSA-N	507.594	3.562	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1	101399633	RFNUZLMNXKTFNX-KQHQIWRUSA-N	540.623	3.870	10	10	KHCE	
CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110523372	VZQKSKXGVXQMBE-RRFFURKPSA-N	567.712	3.894	10	10	KHCE	
Cc1cccc(C)c1O[P@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])[C@@H](O)c1cccnc1	137787757	LRTYGGOWJQLVLF-NRNZXUCVSA-N	542.489	3.803	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	252671761	OEDUVMFOBZMJBY-AREMUKBSSA-N	535.666	3.662	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3ccccc3C)CC2)cc1	1861922457	GCPHSCSJIWONQI-NDEPHWFRSA-N	515.610	3.619	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1	1861935558	LTDDWPOZXIOLGO-QFTDAYPPSA-N	515.610	3.932	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864010902	BRRORVWDNGOUFD-ZHRRBRCNSA-N	545.423	3.948	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864023090	UJBHIXSVRWJADS-LJQANCHMSA-N	542.518	3.653	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865027567	ZDKBNELBTRSROQ-NPGVVQFXSA-N	525.005	3.635	10	10	KHCE	
CSCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867298507	UFHNSIIAUNROME-SVBPBHIXSA-N	540.730	3.873	10	10	KHCE	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1	1867493109	HYGKAUXZQIRZPZ-IGYGKHONSA-N	611.743	3.604	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3nc(C(C)(C)C)n4ccccc34)CC2)cc1	1868790583	MOFPJHVEPWOVHT-JOCHJYFZSA-N	523.703	3.841	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S	2296846675	PWYYKQBLNALOQW-UHFFFAOYSA-N	504.678	3.858	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	2297312685	UDCVKOPLDSEUOA-UHFFFAOYSA-N	519.696	3.855	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)cc1	2297499511	JMSLUBBMAKRKTM-UHFFFAOYSA-N	526.596	3.562	10	10	KHCE	
COc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O[C@@H](C)C(=O)O	2314933579	WFXZIHYIKNIBIC-HNNXBMFYSA-N	525.608	3.751	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@@H]3CCCO3)nc12	110074743	RKFLQKGDPNBKTB-AHFVYKFHSA-N	588.715	3.797	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864016987	BJLITGCEUOEFGZ-QHCPKHFHSA-N	530.556	3.988	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865034728	CNEWDXHZQIMIGR-KXNSMUHISA-N	539.032	3.889	10	10	KHCE	
CSCC[C@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866851391	FRIJYYOIQDJUDF-NRFANRHFSA-N	502.596	3.554	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3csc(COc4ccc(C)cc4)n3)CC2)cc1	1868593668	YZSGJYHKSREDHM-UHFFFAOYSA-N	522.671	3.825	10	10	KHCE	
CN(CCN=[N+]=[N-])CC(=O)Nc1c(I)cc(I)cc1I	1912181096	JZNMSDDMQGIXOG-UHFFFAOYSA-N	610.963	3.681	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1	2295916600	GMOGNVDSNOZXEK-GOSISDBHSA-N	523.636	3.821	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=O)N=C2S1	2297345947	QHCRQAQKPOPUMP-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	2297460593	WLHPOSAIKMOQKS-UHFFFAOYSA-N	525.402	3.640	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	2297505136	MDBCIWYPEWNOHB-INIZCTEOSA-N	609.476	3.994	10	10	KHCE	
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)C1=O	2297534371	QESWHAHTJMWFLA-UHFFFAOYSA-N	598.207	3.941	10	10	KHCE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	2314842238	JOHHSGVXNSJBGU-HNNXBMFYSA-N	583.413	3.735	10	10	KHCE	
COCCc1nc(N2CCN(CC=Cc3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	2330731584	VURDSOXTBIVNQD-UHFFFAOYSA-N	528.701	3.836	10	10	KHCE	
O=C1/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	34257731	NSENLBKHVGWLHW-CVNFFVDQSA-N	504.593	3.834	10	10	KHCE	
O=C(Nc1ccccc1)N1CCN(CCN/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC1	106910122	HWGNASSMHIQZDJ-QLYXXIJNSA-N	539.596	3.669	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4N4C(=O)c5c(ccc(OC)c5OC)[C@H]34)CC2)cc1	606675454	LMOVPSCZAGAZGS-SSEXGKCCSA-N	570.646	3.956	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	1084284331	FWLVRGHZMXCOMC-JMIUGGIZSA-N	552.337	3.919	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2	1864009710	KRLZFLCRSYWVNA-HSZRJFAPSA-N	517.973	3.694	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865032637	HMIXJTRYTOYJQH-UZUQRXQVSA-N	539.032	3.957	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cccs3)CC2)cc1	1865323667	HZOFPDQMSOLEBT-QHCPKHFHSA-N	507.660	3.961	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3ccccn3)CC2)cc1	1865373266	JICXNMBUFDMMAY-HHHXNRCGSA-N	536.636	3.936	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1cccc(OC)c1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865436456	PUZQRIWYNWUCAH-DEOSSOPVSA-N	547.656	3.535	10	10	KHCE	
O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866095361	XLZBSUMLGJZDFB-UHFFFAOYSA-N	503.308	3.849	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1	1867618707	VZOFOJWEYJOAOZ-IOWSJCHKSA-N	653.780	3.896	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCc3ccccc3F)CC2)cc1	1868595542	AYLXBOUDJWSKFT-HHHXNRCGSA-N	507.581	3.982	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)CC2)cc1	1868612565	DDZXWIZJWUUFSA-SANMLTNESA-N	566.724	3.538	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCN(Cc3ccncc3)C(=O)OC(C)(C)C)C(C)C)CC2)cc1	1868924191	CXNDYAAKDIPXKI-MHZLTWQESA-N	553.704	3.707	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)CC1	2314476810	WIDLVJFROSVBAN-UHFFFAOYSA-N	676.821	3.671	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	33890191	MGPRMFCCTDWQIY-LNKKFFRNSA-N	524.668	3.776	10	10	KHCE	
COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)N5CCN(C)CC5)c4)n3)CC2)cc1	36053871	QBRZAWATNDRNTP-UHFFFAOYSA-N	532.714	3.800	10	10	KHCE	
CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	40938232	JLSSTTKZBJDFJF-HMMYKYKNSA-N	506.646	3.631	10	10	KHCE	
O=C1/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	100860236	HEJJDWTZHSKZNX-OFXNXBLFSA-N	551.669	3.540	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2	1864010845	PNFSJTQXQQZCII-YUNKPMOVSA-N	533.412	3.734	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1	1864015177	LJPUCGNUFMZILD-MRXNPFEDSA-N	506.868	3.929	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@@H]2c1ccc(O)c(O)c1	1864017046	DFLRTHOYBUECRE-HSZRJFAPSA-N	527.581	3.786	10	10	KHCE	
CCOc1cc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)ccc1O	1865041126	SAOWXNGCYBYFSP-RUZDIDTESA-N	547.656	3.622	10	10	KHCE	
CC[C@](C)(NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868921625	MWBZTWBAGYPGTE-MHZLTWQESA-N	545.706	3.732	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	2296849781	RVOVFVNHDQGRQF-UYAOXDASSA-N	522.652	3.529	10	10	KHCE	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1	2313562135	GUIZANUXLUAILJ-UHFFFAOYSA-N	515.147	3.852	10	10	KHCE	
CC(C)N(C(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21)c1ccccc1	2326945038	QJPPJGFUEZFUGY-UHFFFAOYSA-N	509.609	3.521	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@H]3c3ccc(OC)c(OC)c3)CC2)cc1	59523591	ZOPPBDNCTAJFKU-IHLOFXLRSA-N	575.662	3.989	10	10	KHCE	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	100291870	NPVCXGIYXAMHFL-CIAFOILYSA-N	531.977	3.976	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(C)c2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007714	SMSZFSVZRUOUSW-RUZDIDTESA-N	512.566	3.920	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1COc3ccccc3O1)[C@H]2c1ccc(O)c(O)c1	1864016648	UTUVQPMBOOPNRN-CYFREDJKSA-N	540.576	3.632	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865031733	NDKYAIRQAJGLPJ-LJQANCHMSA-N	532.519	3.618	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865038937	YSBRKSIICOHZDJ-VWLOTQADSA-N	547.656	3.565	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1	1873169016	UXYNMXJVPGTCPR-UHFFFAOYSA-N	505.582	3.806	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5cnc[nH]5)ncnc4n3Cc3ccccc3)CC2)cc1	1875216752	RGYPKTOTQRUYEQ-UHFFFAOYSA-N	536.640	3.828	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)cc1	2297345842	HTGXSXDOOLSVIC-UHFFFAOYSA-N	542.639	3.727	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	2297346078	AXYVYJJZKBIDFP-UHFFFAOYSA-N	540.623	3.833	10	10	KHCE	
CCc1sc(NC(=O)C(=O)N[C@H](C(=O)O)C(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1	1860764114	ZVLAURFOHYVQER-INIZCTEOSA-N	511.394	3.691	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864019415	YDNWFKNXSVXUIC-QHCPKHFHSA-N	549.031	3.656	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019676	ORMUKEFHYXBKSH-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867757967	NHPCNQKBNIGMBY-UZUQRXQVSA-N	502.015	3.776	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(OC)c(OC)c4)n(-c4ccccc4)n3)CC2)cc1	1869970861	YKZBBIDKTSXOFU-UHFFFAOYSA-N	514.586	3.872	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873169472	NSQHFLKTSVIRPQ-UHFFFAOYSA-N	552.679	3.605	10	10	KHCE	
COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2297512289	YIHGFGSMKBPTJM-UHFFFAOYSA-N	530.924	3.724	10	10	KHCE	
CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	35520314	PCCOTBKTUDGCOF-VRESNVTLSA-N	500.690	3.911	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)[C@@H](c2ccc(Cl)cc2)C1	101024037	ITDLBJWDOANWDD-HHHXNRCGSA-N	552.050	3.970	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=N)N21	104560852	SZYOAPDXMXUQGE-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccc(OC)cc3N2C)c(=O)n1Cc1ccccc1	254614937	IGMIMYRVAAHSLB-UHFFFAOYSA-N	612.733	3.781	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864014513	WWLBAHUYNOQGHV-QFIPXVFZSA-N	500.640	3.920	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1OC	1865588052	VKQDOQNJRVYAEW-VWLOTQADSA-N	517.630	3.662	10	10	KHCE	
Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867204603	RVTWLJHCKZKRQE-LJQANCHMSA-N	519.557	3.987	10	10	KHCE	
COc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867318232	DWHXKMARGPBTTC-FTJBHMTQSA-N	512.720	3.956	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1	1868939850	CFLMCNPWHQYCIX-NDEPHWFRSA-N	575.616	3.769	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)OC	2294095106	JKGUCHODCVSCRZ-UHFFFAOYSA-N	537.750	3.719	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1	2297346138	GTDCIFHKEIKUMH-UHFFFAOYSA-N	519.402	3.649	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc(F)cc1	2297346174	JMYVWNWPNYEOAC-UHFFFAOYSA-N	516.576	3.815	10	10	KHCE	
CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@H](CC(N)=O)C(=O)O)C1=O	2323799765	UUYIMNDXRNHVMS-LLVKDONJSA-N	520.942	3.660	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1	103779011	QGDPCXBGZQQEKW-REPVBDINSA-N	622.750	3.830	10	10	KHCE	
CCC[C@@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC)C(=O)O	1860758817	QFDTYKWXDWWHIC-CQSZACIVSA-N	511.394	3.971	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015337	OXOZODRRZNTYTE-HXUWFJFHSA-N	545.562	3.763	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864016894	ZUMXTKSRZBYILW-QMHKHESXSA-N	547.011	3.855	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccc(C)c2)=C(N)O3)cc1	1864022064	KBCHQDJCNRLSQE-HSZRJFAPSA-N	512.566	3.826	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@@H]2c1ccc(O)c(O)c1	1864022464	XKMFKZMQBKFOPD-HSZRJFAPSA-N	501.587	3.802	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)=C(N)O2	1865030302	HPCQDGAWFWZPSR-RUZDIDTESA-N	548.640	3.954	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccccc3C)CC2)cc1	1865656671	LPSDOMGTIVEEOR-HXUWFJFHSA-N	527.547	3.799	10	10	KHCE	
COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O	1873165751	SOWCMWASULGFJS-UHFFFAOYSA-N	507.631	3.780	10	10	KHCE	
COCCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873165881	XXCASDMWBPFFAW-UHFFFAOYSA-N	503.599	3.888	10	10	KHCE	
CCc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	2326941521	BMAKCZMOODWLSQ-CQSZACIVSA-N	509.609	3.669	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=C/C=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	254710076	GMVPAJRBBCNYPI-XTVMCOKYSA-N	503.624	3.538	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccc(C(=O)O)cc3)c2C(=O)OC)cc1	1860763976	USPULBGHDQLQPQ-UHFFFAOYSA-N	581.647	3.710	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864013331	WAUYYZXDWQKWNN-QHCPKHFHSA-N	515.545	3.781	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864016826	YFISZBIBNFIEJK-DEOSSOPVSA-N	536.592	3.911	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864020416	YOHZJANENDGWAR-DEOSSOPVSA-N	511.582	3.619	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865032040	UGSCMHXVUJPRTL-FQEVSTJZSA-N	546.546	3.926	10	10	KHCE	
O=C1NC(=S)SC1=Cc1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	2297331605	RYWZZPRMWIIAGC-UHFFFAOYSA-N	501.361	3.614	10	10	KHCE	
COc1cc(C=C2SC(=S)N(N)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl	2297576642	ZBOPDVNJENZSHS-UHFFFAOYSA-N	619.512	3.665	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864017928	YRPSQKUXEXWXNS-DEOSSOPVSA-N	517.630	3.533	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864018536	NFZMKYKABLOACL-FQEVSTJZSA-N	500.958	3.918	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865029680	SSIHKZVJMBYRDS-HJPURHCSSA-N	539.032	3.815	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865032873	NEMLBOXNMDJQSQ-OAQYLSRUSA-N	545.423	3.831	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@H]2c1ccc(O)c(O)c1	1865033477	ANPIXZUCLBDTCH-SFHVURJKSA-N	549.937	3.547	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1N1CCN(C)CC1	1867223697	USGWRKHOQVQQEO-VWLOTQADSA-N	586.714	3.713	10	10	KHCE	
COc1cc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC	1867804145	MQDNCXIMNWZURN-NOZRDPDXSA-N	587.743	3.873	10	10	KHCE	
COCCn1c(C(=O)NCc2ccccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873589315	HEFIJTWBWYCOFJ-UHFFFAOYSA-N	514.630	3.651	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	2313558189	VDGLGRIBZCDDED-UHFFFAOYSA-N	617.165	3.801	10	10	KHCE	
COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1	100310603	SGXAEDAUXBPTCC-LPYMAVHISA-N	529.505	3.915	10	10	KHCE	
Cc1ccc(CN2C(=O)/C(=C\c3c(NCCCN4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	102835283	OERUTXIFOXRCJS-HAVVHWLPSA-N	549.722	3.847	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531218	YGRMOKDNDBBVHL-BRZNVLFUSA-N	611.815	3.543	10	10	KHCE	
CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143360554	XTKQQHBKVDDJEU-AYBNGVQBSA-N	586.761	3.838	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1	205692456	XDDVLGRTBKBWQY-XMHGGMMESA-N	534.641	3.643	10	10	KHCE	
CC(C)=CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858676239	CIKBAZRJMROBQL-UHFFFAOYSA-N	517.563	3.555	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2CCO)[C@@H]3c2ccc(O)c(O)c2)c1	1865027266	XDARKLAMMQHZMO-ATIYNZHBSA-N	532.641	3.726	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865029456	NULRTXLIKMXXLL-UAVUOLJFSA-N	534.613	3.575	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800217	RNPZKZFKAOTVKN-SQHAQQRYSA-N	570.760	3.922	10	10	KHCE	
CCC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868909511	JWBUIDNJKUNQRG-DEOSSOPVSA-N	507.660	3.780	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6353975	XNCXIVLZBWRCND-MRCZTLKWSA-N	532.449	3.877	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2S1	101398431	AYAKNYKLZBRMPD-RDJYZGLESA-N	537.623	3.740	10	10	KHCE	
Cc1c(N2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	105643356	GNZAITJMAYAIBX-XNXRSNERSA-N	588.715	3.512	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865025922	FKOIEOHXVHMCMU-AREMUKBSSA-N	544.583	3.506	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865033144	STRJMVOULNVESE-JOCHJYFZSA-N	527.021	3.815	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(N(C)C)cc3)CC2)cc1	1865076221	KNZRUDIURSWCSK-MHZLTWQESA-N	544.700	3.966	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865413334	JYOPJFDTGWWPJC-AREMUKBSSA-N	536.636	3.882	10	10	KHCE	
CCOC(=O)COc1cn(CCc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870692150	DQTVVQCAVLUKHN-UHFFFAOYSA-N	523.605	3.503	10	10	KHCE	
O=C1C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2297497879	ZUMAWSXUMIEUCD-CQSZACIVSA-N	578.491	3.638	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(OC)c(OC)cc1C(=O)OC	2313683240	VJSSFOGYLCJZHN-UHFFFAOYSA-N	524.555	3.752	10	10	KHCE	
Cc1ccc(CN2C(=O)C(=Cc3c(N4CCC5(CC4)OCCO5)nc4ccccn4c3=O)SC2=S)cc1	2314433657	PZBAEQCVYMIORB-UHFFFAOYSA-N	534.663	3.748	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	2314764664	JDFVDIMGGRQYRI-UHFFFAOYSA-N	562.069	3.523	10	10	KHCE	
CC[C@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c1)C(=O)O	2314931400	NSCSNDVQQJATPQ-INIZCTEOSA-N	513.018	3.677	10	10	KHCE	
O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2cc(Br)ccc21)Nc1ccc(Cl)cc1	2314951809	KUHKOHHFEMKPPS-UHFFFAOYSA-N	508.806	3.947	10	10	KHCE	
NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1	2323840628	BTDYPYGYFZWOAM-UHFFFAOYSA-N	501.424	3.680	10	10	KHCE	
CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39989794	HHCHXMFZIYSYTL-QJHUTNDBSA-N	502.662	3.597	10	10	KHCE	
CCCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862001223	JTDTZWIUBKZHRM-LEAFIULHSA-N	506.691	3.931	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864010896	BRRORVWDNGOUFD-AOMKIAJQSA-N	545.423	3.948	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864011908	MPEOFDOKDSAXBR-JOCHJYFZSA-N	512.994	3.542	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865029824	WASFBBNXPZPGFB-OPAMFIHVSA-N	525.005	3.567	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(Cl)c1	1865092694	XUTMYPAAISPFKX-HSZRJFAPSA-N	508.022	3.917	10	10	KHCE	
CCOC(=O)c1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1	1865926163	AZAPVJMLUUIZIX-JYFHCDHNSA-N	506.647	3.626	10	10	KHCE	
C[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867075327	OLBVNDYQZZNUPG-QGZVFWFLSA-N	539.617	3.883	10	10	KHCE	
Cc1c(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1867810326	JMQYGKFKQGNKIU-DEOSSOPVSA-N	540.621	3.729	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCN3CCCC3)ncnc21	1875223452	RIRZUUZNUNLHFQ-UHFFFAOYSA-N	549.720	3.727	10	10	KHCE	
CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	100885880	IUUWPDWOMPQHJM-CPNJWEJPSA-N	532.651	3.638	10	10	KHCE	
COc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1	103377442	BGKGSMIMUKHGIV-NDEPHWFRSA-N	564.086	3.839	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864017426	MEEIRNUSAMJLJQ-RUZDIDTESA-N	536.592	3.776	10	10	KHCE	
NC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022080	KEBPONQKYSJQKX-IBGZPJMESA-N	523.471	3.708	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865027899	NGXPIZATHUOMHG-VWLOTQADSA-N	510.550	3.771	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865035835	AANNDQQCNFYWBP-XMMPIXPASA-N	517.630	3.556	10	10	KHCE	
COCCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870781435	YDIVKKVWXRMYTI-UHFFFAOYSA-N	521.658	3.982	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccc(F)cc4)[nH]c(=NCCc4ccc(F)cc4)[nH]3)CC2)cc1	1871468897	LRLUZTFFKKHRLT-UHFFFAOYSA-N	545.638	3.638	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2296323521	QSDVZERIXWMOOY-UHFFFAOYSA-N	511.559	3.631	10	10	KHCE	
Cc1c(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c(=O)n(-c2ccccc2)n1C	2297477412	BJORDACYXILTAC-UHFFFAOYSA-N	536.635	3.833	10	10	KHCE	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1	27570058	OHBSBPMMVLLVCD-BOPFTXTBSA-N	505.430	3.641	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1	103784742	XUFMGKNRYXMWBY-IMEWXKHHSA-N	544.446	3.766	10	10	KHCE	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	103920122	IHZGUFWAEQZQGO-XQNSMLJCSA-N	568.568	3.652	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	207328057	VTSDJDCNWPBROX-DBRLUCFCSA-N	536.672	3.924	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011351	SLRAPBVOQCTFKB-XXBNENTESA-N	504.587	3.534	10	10	KHCE	
NC1=C(C(=O)NCCc2cnc[nH]2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864016889	ZQYUTQLJAIDMRN-VWLOTQADSA-N	548.603	3.786	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1	1865034562	ZODHHADWVXTRDY-GOSISDBHSA-N	517.508	3.514	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865036750	JIDHJMDOGHXZOP-RUZDIDTESA-N	526.593	3.677	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1	1874643092	RXTLLWRAHNMBMI-SANMLTNESA-N	526.593	3.595	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3OCC(=O)N(C4CCCCC4)[C@H]3c3ccccc3OC)CC2)cc1	1891876749	YPEYUNRBLOGPLU-WUFINQPMSA-N	507.631	3.654	10	10	KHCE	
CCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2296013981	LCNHZFKTCJAYIW-UHFFFAOYSA-N	508.625	3.979	10	10	KHCE	
CCOc1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)c([N+](=O)[O-])c1	2297348256	YLFPPZKJDSOEDN-UHFFFAOYSA-N	517.545	3.653	10	10	KHCE	
CNc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	2313557764	LJPDBEOMPITSJL-UHFFFAOYSA-N	591.118	3.743	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	2313683087	RLNBBGAVPLCMDV-UHFFFAOYSA-N	541.561	3.883	10	10	KHCE	
COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S	2314769823	VRRRLWIETDBERE-MRXNPFEDSA-N	503.399	3.911	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](CC)C(=O)O	2314934640	JEMNWZBZQDTHGD-INIZCTEOSA-N	531.568	3.782	10	10	KHCE	
CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	33362073	QUJTWHNNQYPTOO-XSFVSMFZSA-N	510.641	3.896	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2	95913672	DHYLGBJCEGEBGQ-VAAHMZTCSA-N	746.674	3.511	10	10	KHCE	biogenic,in-vitro
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccc(OC(F)F)c(OC)c4)c(=O)n32)cc1	254566912	PBTPFZVKFALCOG-XMMPIXPASA-N	557.619	3.864	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc4ccccc34)c2O1	1864022940	SFSSTJJXLLFENZ-FQEVSTJZSA-N	540.498	3.649	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865026796	SBSYELNBULPICP-HSZRJFAPSA-N	545.011	3.759	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865031070	YGAWIELHWVREPE-RUZDIDTESA-N	549.647	3.683	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865032307	ABLAEQBOYPQNGU-NXMSCROESA-N	518.614	3.544	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865073552	HWTSEUYYKFBGMU-HSZRJFAPSA-N	505.594	3.657	10	10	KHCE	
COC(=O)c1c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccccc1	1865988928	RVFYZWYJXQWYRE-LJQANCHMSA-N	540.619	3.548	10	10	KHCE	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1	1867493107	HYGKAUXZQIRZPZ-BVRKHOPBSA-N	611.743	3.604	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(-c4ccc(C)cc4)n3)CC2)cc1	1869166931	IGOCHVZAOQJFQS-UHFFFAOYSA-N	570.719	3.997	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c([N+](=O)[O-])c1	1873425799	MKZVDQSDYOXHQV-UHFFFAOYSA-N	559.623	3.925	10	10	KHCE	
CC(=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCC(C(N)=O)(N2CCCCC2)CC1	2293188386	OMYUGTVHKVJDCI-UHFFFAOYSA-N	520.581	3.641	10	10	KHCE	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1Br	2294204892	PTDZIQRXTMGTDL-UHFFFAOYSA-N	517.401	3.785	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	2314399288	IDBGJPIMOWOKDJ-UHFFFAOYSA-N	593.731	3.734	10	10	KHCE	
CCCCCC1(C)OC(=O)C(=Cc2cc(I)c(OCC(=O)O)c(OC)c2)C(=O)O1	59567652	STFINUFIZUKNOW-UHFFFAOYSA-N	518.300	3.543	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CN4C(=O)S/C(=C\c5ccccc5F)C4=O)CC3)=NC2=O)cc1	100353053	SLZJFJLJLDBGCO-HHQODBOJSA-N	566.636	3.685	10	10	KHCE	
CCN(CC)c1ccc(/C=C2/N=C(SCC(=O)Nc3c[n+](CCOC)no3)N(c3ccccc3)C2=O)cc1	105576500	YTIKLKBAQSDDFS-HAVVHWLPSA-O	535.650	3.570	10	10	KHCE	
Cc1ccccc1NC(=O)CSc1nnc(NC2=NC(=O)/C(=C3\C(=O)Nc4ccccc43)S2)s1	206385228	JFBGONVJFWULJH-WUKNDPDISA-N	508.610	3.982	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](C)O1	1848439330	RDYXRPGVNWOQLW-QGRQKVAISA-N	765.768	3.581	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864009904	MXTZQBRUSZITHM-DEOSSOPVSA-N	516.602	3.579	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864013415	BCKIGPUHVFHXKB-IGOARQLNSA-N	522.646	3.551	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(Cl)cc3)c2O1	1864015924	GPTCYQQNHAEVKB-HSZRJFAPSA-N	547.011	3.856	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865029029	DJLIBQWTRNOQNU-QFIPXVFZSA-N	525.005	3.567	10	10	KHCE	
C[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867850001	QXAUIAXFIGYAMM-WZONZLPQSA-N	548.469	3.819	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC[C@@H](O)C[C@H]4c4ccc(OC)c(OC)c4)nc(C)n3)CC2)cc1	1869304262	QSYTVSRFTZUNSY-NOZRDPDXSA-N	519.646	3.840	10	10	KHCE	
COc1ccc(CCN2C(=O)C(NCCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873169478	BWOOCMNEHISVEO-UHFFFAOYSA-N	542.680	3.737	10	10	KHCE	
COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O	1873425905	PIMFOBQAJAAJNF-UHFFFAOYSA-N	559.623	3.925	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)CCN3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1	2314487178	DRQAGKYOXCFLRR-UHFFFAOYSA-N	554.694	3.821	10	10	KHCE	
CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39989792	HHCHXMFZIYSYTL-JYAVETKUSA-N	502.662	3.597	10	10	KHCE	
CCCOc1ccc(CC(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C	1861901217	JYBUBCNNEBAWGW-RUZDIDTESA-N	513.704	3.922	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc(Br)c3)CC2)cc1	1862039680	UGWBLIMVSKYITM-NRFANRHFSA-N	506.466	3.658	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865025767	DKWDZWFFNKGKRI-SANMLTNESA-N	544.583	3.506	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867723691	KYBPVDUUDFRWKU-GGXMVOPNSA-N	508.663	3.920	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(-c4cccc(OC)c4)n3)CC2)cc1	1867993433	SWJWNYYSZFXIGC-UHFFFAOYSA-N	517.630	3.831	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4cccc(C)c4)cn3C[C@@H](C)O)CC2)cc1	1870779791	ALGWXGMJJJIADY-XMMPIXPASA-N	521.658	3.716	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21	1873558087	HSSVTLORFGBCHZ-OYRHEFFESA-N	506.651	3.531	10	10	KHCE	
CC1(C)C(C=CC=C2N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3[C@]2(C)CCCCS(=O)(=O)O)=[N+](CCCCCC(=O)NCCN2C(=O)C=CC2=O)c2ccc(S(=O)(=O)O)cc21	2081012726	BXWREAISOPJWIF-RWYGWLOXSA-O	970.156	3.712	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N21	104559804	HUJRJTBKUJJINI-XTZGGVIGSA-N	549.428	3.528	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)CC2)cc1	1861930719	JJDIZHKXIDAQOZ-SANMLTNESA-N	519.598	3.541	10	10	KHCE	
NC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022081	KEBPONQKYSJQKX-LJQANCHMSA-N	523.471	3.708	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865026629	QLILRHDLHLDCMO-QHCPKHFHSA-N	527.021	3.620	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865029610	RILQNIISVRHJGC-HSZRJFAPSA-N	538.048	3.748	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3C)CC1)=C(N)O2	1865030025	ALMMFIIRKYQIPG-VWLOTQADSA-N	531.657	3.614	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865307058	JSIZNOZYVDGIOT-DEOSSOPVSA-N	505.619	3.891	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865307059	JSIZNOZYVDGIOT-XMMPIXPASA-N	505.619	3.891	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(F)cccc4Cl)cn3C[C@H](C)O)CC2)cc1	1870636149	RGZLGSLVXOBNQT-IBGZPJMESA-N	516.013	3.931	10	10	KHCE	
O=C1C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	2314414654	HVUUQUPHPVNUJG-GOSISDBHSA-N	551.669	3.540	10	10	KHCE	
Cc1ccc(COc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)cc1	104560012	NBKCRIXEGQBSHY-MRDWGVERSA-N	533.429	3.958	10	10	KHCE	
CCCCn1c(=C2C(=O)N(c3ccccc3)N=C2C)sc(=C2Sc3ccc(OC)cc3N2C)c1=O	254406271	UWFHMSHDOLMFBH-UHFFFAOYSA-N	506.653	3.600	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864009543	AIZSEHNTHGYGCJ-VWLOTQADSA-N	540.576	3.976	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864017096	FMAYZCLVWBMRLH-IBGZPJMESA-N	519.385	3.610	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865034768	DDQQACASGOGMJJ-QMHKHESXSA-N	506.578	3.997	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866893176	ZZNFXRQQAFQQAU-JOCHJYFZSA-N	548.617	3.801	10	10	KHCE	
CCCOC(=O)COc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870331433	BYVXRCSUSGRSKT-UHFFFAOYSA-N	505.615	3.559	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1	1871549076	IMBKZYFLCZOANR-UHFFFAOYSA-N	505.667	3.638	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@H](C)C3)ncnc21	1873559025	NNAUJDQDQPVPLI-NRFANRHFSA-N	506.651	3.675	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)cc1	101688179	WSTPZUJMIGJLDS-NTUHNPAUSA-N	588.139	3.830	10	10	KHCE	
Oc1c(CN2CCOCCOCCN(Cc3ccc4cccnc4c3O)CCOCCOCC2)ccc2cccnc12	106878673	UHLGTLRWDPMTEI-UHFFFAOYSA-N	576.694	3.578	10	10	KHCE	
CCc1nnc(NC(=O)CCCN2C(=O)/C(=C3/SC(=S)N(CCCC(=O)Nc4nnc(CC)s4)C3=O)SC2=S)s1	150592823	IZOGTMJCEJADRZ-NXVVXOECSA-N	656.888	3.584	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)COc3ccc(C)c(C)c3)CC2)cc1	1862193952	DIHBSYBLRDOPRG-NDEPHWFRSA-N	501.627	3.767	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864008893	URIRXCCUULHPGC-SANMLTNESA-N	526.593	3.713	10	10	KHCE	
CCCCOCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871720329	UVQGLSSCHLMZBW-UHFFFAOYSA-N	507.639	3.697	10	10	KHCE	
CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2296943170	DNPQPVXFQNUWIN-UHFFFAOYSA-N	518.492	3.783	10	10	KHCE	
N=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2297467935	UEJVNBYXOKGDPC-UHFFFAOYSA-N	528.388	3.577	10	10	KHCE	
O=C1C(=Cc2ccc(C=C3C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3N3CCOCC3)cc2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1	2297708807	SQIDJMNETFFMHN-UHFFFAOYSA-N	678.662	3.655	10	10	KHCE	
O=C1/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	100920217	GVUMTTVKZXMBHN-HMMYKYKNSA-N	538.626	3.578	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864016984	BHVUANDEQURADF-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865028473	VSPTXBXIKHDJEE-JRLRZGBRSA-N	504.587	3.800	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	150439374	PVDUULJKXUQOTR-RZXXJPOTSA-N	668.351	3.937	10	10	KHCE	
Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1	1859005531	UJFAEQSTLXJEMG-UHFFFAOYSA-N	538.409	3.791	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2	1864009662	JPWXOCHVNPNVIP-RUZDIDTESA-N	511.582	3.821	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011104	ZGOQUAICNPYMMV-KBMIEXCESA-N	512.566	3.735	10	10	KHCE	
NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864016346	MWRZRWGFRBFQQP-HSZRJFAPSA-N	521.533	3.950	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865028328	RZWXIYVOKXGHRC-FDDCHVKYSA-N	525.005	3.703	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865387811	MAOQKYHQONDVOB-XMMPIXPASA-N	516.646	3.549	10	10	KHCE	
COCCOC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870905760	ZXEILJBQTXJCND-UHFFFAOYSA-N	517.586	3.738	10	10	KHCE	
COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873166674	VXEFKLHLNYVMOX-UHFFFAOYSA-N	542.680	3.737	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1	2296565390	OBWUCTPVFYPNSV-UHFFFAOYSA-N	507.724	3.795	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4/C(=O)Nc5ccccc54)S3)s2)cc1	102371644	FXCHRSKMAWQBGV-ZCXUNETKSA-N	566.646	3.850	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)C)cc1	104559543	LUDMSQQNSLFYAR-BVDVPRQSSA-N	526.596	3.659	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccc(O)c(O)c1	1864016417	OOKPHJMUNRMCDU-QHCPKHFHSA-N	526.549	3.721	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865027591	JSCVMOQSCPVGOX-SBUREZEXSA-N	525.005	3.703	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1	1865029807	VOTRDYVDHBOIOH-VWLOTQADSA-N	517.630	3.611	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865029983	ZLQYQBGSJVESMU-UQBPGWFLSA-N	548.640	3.703	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3cccs3)CC2)cc1	1865328207	MVXXBIZOXFCIDM-QGZVFWFLSA-N	519.549	3.552	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1	1869119299	XHQJLZROPBJADI-QFIPXVFZSA-N	522.719	3.945	10	10	KHCE	
COc1ccc(CCN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC	1873168805	JZOCRVMTHZXYCH-UHFFFAOYSA-N	539.636	3.989	10	10	KHCE	
[N-]=[N+]=NC1CN(C(=O)c2cc(I)cc(I)c2I)C1	1912206197	IWBXSUYTNNJJTQ-UHFFFAOYSA-N	579.905	3.635	10	10	KHCE	
O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O	100455738	BYYGUSAQKWABNU-HKWRFOASSA-N	550.570	3.873	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1	101397459	UCALNDBKCZPVHI-SVBOREBNSA-N	549.030	3.736	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865031052	YBQXGLDFMOMNAA-AUSIDOKSSA-N	539.032	3.626	10	10	KHCE	
CN1CCN(C2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)CC1	1867283186	NVWGXGYROGBCLA-KBSXYSMTSA-N	578.713	3.934	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867360363	ZCPVTOUNCZEQMR-JWQCQUIFSA-N	527.691	3.856	10	10	KHCE	
CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)n1	1868275151	MKGHFNIIOISACT-NRFANRHFSA-N	522.565	3.884	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1	1868752666	RTGAQJZKXMUYGG-LJAQVGFWSA-N	568.630	3.965	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCCOc4ccc(C)cc4)cn3CCO)CC2)cc1	1870321962	ROVQJKROCTWMPJ-UHFFFAOYSA-N	521.658	3.718	10	10	KHCE	
CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O	1873167653	QWKXPLPANVAXAJ-UHFFFAOYSA-N	505.707	3.980	10	10	KHCE	
CC(C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	2296295105	RUGYYEHGWKBICL-UHFFFAOYSA-N	509.632	3.770	10	10	KHCE	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCc2ccc(S(N)(=O)=O)cc2)cc1	2313682900	NJPULHNLMSEMAV-UHFFFAOYSA-N	533.635	3.767	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011102	ZGOQUAICNPYMMV-CLOONOSVSA-N	512.566	3.735	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864012566	DDHYVQKCQQHFAO-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865026074	JIPFIHCNDPWZQM-DXMSMQRWSA-N	506.578	3.989	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865030001	ZVDJWSMRDJKQKA-RRQZXNHTSA-N	532.641	3.934	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865663976	XNALMMHXCKWRPG-XMMPIXPASA-N	501.631	3.826	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867435478	JJWWUOZJRVVYNP-SXOMAYOGSA-N	547.700	3.609	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868642012	JVIZKYUELNKXNG-NDEPHWFRSA-N	508.594	3.974	10	10	KHCE	
CCN(CC)CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC	1875222505	CIYFQCZLZHPYJV-UHFFFAOYSA-N	551.736	3.973	10	10	KHCE	
CC(C)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	2326943724	FUHJIFLZPQXCHO-UHFFFAOYSA-N	509.609	3.841	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1	1897354	BTRXRYRDSGCTLL-KGENOOAVSA-N	556.691	3.856	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N(Cc4ccc(C)cc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1	33479054	SWJJGMGIKMNQLR-HZHRSRAPSA-N	521.712	3.900	10	10	KHCE	
O=[N+]([O-])c1ccc(S(=O)(=O)C(N=Nc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	252626593	RBUSKBAYWNCMNX-UHFFFAOYSA-N	535.472	3.726	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864019112	GOJMQIUPBVQPRC-HTAPYJJXSA-N	525.005	3.548	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)=C(N)O2	1865035863	ATKJRDAVBBDBOT-SANMLTNESA-N	545.684	3.860	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867605755	CCINBNDYAASKKN-KYJUHHDHSA-N	607.777	3.514	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C(=O)Nc3ccc(F)c(F)c3)CC2)cc1	1868777043	ZTWULLJFQJEILM-AREMUKBSSA-N	568.646	3.679	10	10	KHCE	
CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC(C)C)CC2)C1=O	1873167188	VQAIMUPCWQXZKY-UHFFFAOYSA-N	548.684	3.658	10	10	KHCE	
COCCn1c(C(=O)Nc2cccc(F)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873650649	YWQDZJBEOJAHRK-UHFFFAOYSA-N	504.566	3.804	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	33339542	KLIFBTDVMGZMMK-HEHNFIMWSA-N	505.669	3.941	10	10	KHCE	
CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39991294	LIYBNVGMVONMKC-RGEXLXHISA-N	502.662	3.885	10	10	KHCE	
O=C1/C(=C\c2ccccc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	207307859	ZYYVWPBFSRWGBU-INKLHFNDSA-N	559.735	3.687	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864014154	OHQUSTYLDQHBPC-DEOSSOPVSA-N	530.629	3.833	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3C[C@H]3CCCO3)CC2)cc1	1870690113	SJLZTWLAHJQIKL-MUUNZHRXSA-N	503.643	3.980	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1	1871694148	FRYKFIYIPYWDEQ-UHFFFAOYSA-N	500.607	3.643	10	10	KHCE	
CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3)CC2)SC1=S	33450756	GQYMDXVYOBNJPX-CJLVFECKSA-N	507.685	3.893	10	10	KHCE	
CCN(CC(=O)OC(C)(C)C)C[C@@H](Cc1ccc(N)cc1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C	83407113	OJWCQXPDAPXLAL-HSZRJFAPSA-N	535.726	3.829	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1	103649067	SSBSCIDBFBYQES-XSFVSMFZSA-N	570.096	3.659	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864012474	AJCBJQDRVPRAAA-NRFANRHFSA-N	530.984	3.545	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864021999	IEKJRDYEEDFPPF-LJQANCHMSA-N	542.518	3.856	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1	1867618706	VZOFOJWEYJOAOZ-FIRIVFDPSA-N	653.780	3.896	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccco4)n(-c4ccc(Br)cc4)[nH]3)CC2)cc1	1869970939	UJUCKYAPKNTESK-UHFFFAOYSA-N	523.391	3.632	10	10	KHCE	
COc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1874643495	YWOYIUILAJYYDT-LJAQVGFWSA-N	526.637	3.804	10	10	KHCE	
O=C1C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1Cl	2040469558	CGNPMTXKLMAARE-AWEZNQCLSA-N	505.042	3.645	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)O	2294093766	NGIGDVWUVQLXFH-UHFFFAOYSA-N	517.332	3.540	10	10	KHCE	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCCC(=O)O)C2=O)c1	2296946526	LPTIDSADSSXPLA-UHFFFAOYSA-N	556.691	3.856	10	10	KHCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1	2297617270	YSYZRNOQIPUGKR-UHFFFAOYSA-N	531.400	3.556	10	10	KHCE	
COC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	2314754727	ZKBPLLVITHRSQK-UHFFFAOYSA-N	601.541	3.630	10	10	KHCE	
CCC(=CC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC	2331512030	ALLZKFCNQMYCGN-UHFFFAOYSA-N	516.436	3.725	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)c1	101397121	ADQYWLFOKIQHIG-ADKREUBMSA-N	542.639	3.645	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526139469	PGOGMZFKKLSBKE-VWLOTQADSA-N	521.595	3.643	10	10	KHCE	
CC(C)=CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858676258	DEIKQDYQFNTSLI-UHFFFAOYSA-N	517.563	3.555	10	10	KHCE	
CCCOC(=O)c1cccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	1860826792	NCCXVFBCAITWAZ-MRCUWXFGSA-N	510.593	3.846	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864008191	FLIKHTGWMWYQDV-QFIPXVFZSA-N	548.397	3.760	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864018462	LMJRKWAFBGEVBD-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865038916	YNHCAZBNBVBJLU-RUZDIDTESA-N	547.656	3.529	10	10	KHCE	
COc1ccc(-n2nncc2C(=O)N[C@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1866925443	CZQSCHVXMKYURO-HSZRJFAPSA-N	555.616	3.542	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1	1868904370	VTVPUPACGGXOHF-NGDRWEMDSA-N	541.648	3.800	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3snc4ccccc34)CC2)cc1	1869054895	QLCDCJACKWJTSB-MHZLTWQESA-N	558.660	3.920	10	10	KHCE	
Cc1c(N2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	2314399982	GNZAITJMAYAIBX-ROUUACIJSA-N	588.715	3.512	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(C)cc4)cc3)C(=N)N21	20206730	MNKKFKYMJWGNOY-COGBYSKYSA-N	512.613	3.854	10	10	KHCE	
CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110527264	CEHOMBRLWSNELV-KQWNVCNZSA-N	583.711	3.970	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)CC1	150448121	ZMCILXQJSPAHIZ-MYSISXQJSA-N	700.886	3.891	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864009053	YKOWFISLQCILCS-VWLOTQADSA-N	519.646	3.833	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864011699	KDECYLCGQPFXPE-XMMPIXPASA-N	540.064	3.847	10	10	KHCE	
C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031425	GPXOMFKLTPNGTH-PJIJBLCYSA-N	530.503	3.633	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867432086	HLNDDJGTDONTAM-VSGBNLITSA-N	561.727	3.999	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793446	RPARBACXLLSHQP-UHSQPCAPSA-N	612.797	3.692	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868624921	DOFXYKXDTSXEGC-RUZDIDTESA-N	563.120	3.526	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(CC)CC)C2=O)CC1	1873162304	OYULPGQMBQAMHQ-UHFFFAOYSA-N	535.689	3.726	10	10	KHCE	
CCc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1	2297345367	QINNSGACPUEUHZ-UHFFFAOYSA-N	533.031	3.981	10	10	KHCE	
CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)o2)cc1	2313541706	VMFUVFPPALETGF-UHFFFAOYSA-N	506.536	3.972	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1	102823401	JWYYUVPXZQUKLL-LTGZKZEYSA-N	505.669	3.546	10	10	KHCE	
CC[C@H](C(=O)OCc1ccccc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826780	MOPKRECFULZFKA-QBEKEKFNSA-N	510.593	3.601	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3sccc3C)CC2)cc1	1862246091	GLHGYGGETKXQKR-RUZDIDTESA-N	521.639	3.680	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864016415	OMUKXEQMHGNKAD-WAIKUNEKSA-N	547.011	3.855	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864017790	VIMZTWQTYBWGAB-FQEVSTJZSA-N	532.428	3.525	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864021879	HPIUGCHBQZMPNC-SFHVURJKSA-N	520.483	3.967	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2	1865029910	YLKCWUIAIQJRQK-FQEVSTJZSA-N	533.412	3.688	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CCC)[C@H]2c2ccc(O)c(O)c2)CC1	1865031308	DUESYRRFLQCHBO-HSZRJFAPSA-N	517.630	3.620	10	10	KHCE	
CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2	1865033322	XIRCLGLVFUAKAT-FQEVSTJZSA-N	525.403	3.925	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1cc(Cl)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865216067	PJTCOPRDHBAHRJ-QHCPKHFHSA-N	538.048	3.876	10	10	KHCE	
CC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867797141	IYPYJYMVEYHCRG-OZXSUGGESA-N	524.666	3.579	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3ccccc3F)CC2)cc1	1868595543	AYLXBOUDJWSKFT-MHZLTWQESA-N	507.581	3.982	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3ccc4oc(O)nc4c3)CC2)cc1	1868968823	PRFHYHUTQCMQRW-RUZDIDTESA-N	546.649	3.923	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCCOc4ccccc4)cn3C[C@H](C)O)CC2)cc1	1870317150	ROKNMVUPYJGSMD-DEOSSOPVSA-N	521.658	3.798	10	10	KHCE	
COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S	2296848712	XFDDVISNLRNXOQ-UHFFFAOYSA-N	528.681	3.637	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccccc3[N+](=O)[O-])c3ccccc3)CC2)cc1	2328610539	MHJVZNHRPXKGHB-HHHXNRCGSA-N	500.555	3.823	10	10	KHCE	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1	6157286	FFAGQCPHDHCKQE-NHOPXOSBSA-N	503.565	3.825	10	10	KHCE	
COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NCCN(C)C)c4)n3)CC2)cc1	36053865	XDMBTJGTABADQI-UHFFFAOYSA-N	520.703	3.704	10	10	KHCE	
O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)NCc1ccc(N2CCOCC2)cc1	257179014	CGXGSPCPAFKJPG-RJPUKIMISA-N	545.728	3.720	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)CC2)cc1	1861930718	JJDIZHKXIDAQOZ-AREMUKBSSA-N	519.598	3.541	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1	1864010255	QLGRKHFMHPOMTK-QKFKETGDSA-N	508.575	3.602	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864013875	HWJHVXSMCMPHMU-XMMPIXPASA-N	542.592	3.806	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864017015	CKEKDOKFJPHQHY-VWLOTQADSA-N	540.576	3.894	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1865033601	DNOBMEJZIINWJY-QHCPKHFHSA-N	527.581	3.917	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1	1868742506	LJRGSCWCQGVPLD-AREMUKBSSA-N	575.797	3.743	10	10	KHCE	
C[C@@H](O)Cn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870982338	NQSSTMHXLKKVFJ-HXUWFJFHSA-N	502.571	3.873	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3cccs3)C2=O)cc1	1873169315	JSXPRBHYYNCYCM-UHFFFAOYSA-N	504.656	3.748	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC	1873546309	KKPDDNBLUQRPSB-UHFFFAOYSA-N	513.646	3.886	10	10	KHCE	
Cc1cccc(OCCn2cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	20207552	RRHAWCSWHOYWJT-DMNVVODESA-N	507.597	3.650	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)c(Br)c1OCC(N)=O	100230561	WCRDDHAACKUGLW-OVCLIPMQSA-N	581.217	3.979	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1	526566823	TWZADHAHUOBRRH-VWLOTQADSA-N	521.522	3.975	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2	1864011727	KMDPPWTVRRPUOQ-HXUWFJFHSA-N	501.370	3.931	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019751	QAXWSYSYTYRSPS-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
COc1cc2c(cc1OC)CN(C(=O)C1=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]1c1ccc(O)c(O)c1)CC2	1865029606	RGGKBVZAPWDCRW-RUZDIDTESA-N	534.613	3.555	10	10	KHCE	
CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867847408	VJZKNVNVXRKREU-RCZVLFRGSA-N	540.621	3.729	10	10	KHCE	
CCOc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(O)=NC2=S)c1	29747926	KCXPKYVSLBXVMH-HYARGMPZSA-N	518.595	3.570	10	10	KHCE	
[N-]=[N+]=NCCOCCOCCOCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21	202626679	PKYHWLLVYRCZEQ-UHFFFAOYSA-N	576.562	3.756	10	10	KHCE	
COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526600812	DTDABJDIYZPKDS-QHCPKHFHSA-N	505.479	3.737	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](C)O1	575229525	RDYXRPGVNWOQLW-UQAZAWBSSA-N	765.768	3.581	10	10	KHCE	
CCc1sc(NC(=O)C(=O)N2CCC[C@H]2C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1	1860763309	DNPIIJLBDXPUAF-ZDUSSCGKSA-N	509.378	3.541	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1	1861911020	NDLOHPXNXURWCJ-RUZDIDTESA-N	502.571	3.602	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864010900	BRRORVWDNGOUFD-OPAMFIHVSA-N	545.423	3.948	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2	1864014198	PFBOQPVCRSEBIT-HSZRJFAPSA-N	534.613	3.700	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1	1864023113	ULYACFMDQODMFG-HXPMCKFVSA-N	548.518	3.922	10	10	KHCE	
COCCN1C(=O)C(=Cc2c(NC3CC(C)(C)NC(C)(C)C3)nc3ccc(C)cn3c2=O)SC1=S	2297497529	KZSVXGLEAIGCAF-UHFFFAOYSA-N	515.705	3.572	10	10	KHCE	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377586	KYWFBXBGIAMJPH-OVVQPSECSA-N	576.719	3.828	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865035425	TWMNRUGQTXBZQI-LNPFQXMTSA-N	539.032	3.889	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867608118	USUXCSHKOREAQT-IHLOFXLRSA-N	609.768	3.948	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867612862	OAPZWDGZOWGEGZ-ROJLCIKYSA-N	649.814	3.734	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868654037	RFWZQDVUHKTNJH-RUZDIDTESA-N	520.630	3.843	10	10	KHCE	
CC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890097	SKKNSCZEQJQDGK-DNQXCXABSA-N	570.488	3.915	10	10	KHCE	
CC[C@@](C)(NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868927585	MXHGXHIIHUUDKG-SSEXGKCCSA-N	553.704	3.851	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@@H](c3ccc(F)cc3)C2=O)n1	1869225096	BDQDKEGHDGZWES-MHZLTWQESA-N	504.610	3.581	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(S(N)(=O)=O)cc5)ncnc4n3Cc3ccccc3)CC2)cc1	1875216720	PMJGSTQYEIPCDO-UHFFFAOYSA-N	611.728	3.710	10	10	KHCE	
CNC(=O)c1ccccc1N=c1[nH]c(Nc2ccc(N3CC[C@@H](NC)C3)cc2OCCF)ncc1Cl	1911530935	LIQZKLKAIKZIJB-MRXNPFEDSA-N	514.005	3.545	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1OC	20154819	SPDZOFHRQXBKCF-LGAXMMIFSA-N	512.569	3.871	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	101283111	OBZDCLPIDSZSSF-SJJOQSKNSA-N	569.101	3.905	10	10	KHCE	
Cc1ccc(C)c(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	102467833	ZYKIQDWJTNMADW-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	252666653	CDNBMOAUSBKNKY-AREMUKBSSA-N	533.650	3.570	10	10	KHCE	
C/C=C1\CN2[C@H]3C[C@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	257622847	XMPQOOTZKXFCNH-ZVAKLRRISA-N	636.698	3.540	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1	1861957000	WJNISLXOWGCCLG-UDKPXMKSSA-N	500.555	3.823	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011349	SLRAPBVOQCTFKB-CVDCTZTESA-N	504.587	3.534	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864012681	GNSPVRRIMIYPKF-QHCPKHFHSA-N	524.593	3.670	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(Cl)c4)cn3CCN(C)C)CC2)cc1	1870407589	HLHHBLWTTHMOHY-UHFFFAOYSA-N	511.066	3.973	10	10	KHCE	
CCNC(=O)COc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870533965	HVQCGEGISJJOIP-UHFFFAOYSA-N	508.663	3.585	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c2=O)SC1=S	2295987664	KHVOPWBLMOVXNR-UHFFFAOYSA-N	521.668	3.559	10	10	KHCE	
Cc1cc(C)cc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1	2297469047	BKFHVUFFUUCWEK-UHFFFAOYSA-N	504.616	3.579	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1	102679122	JKAUXSGRLYMIDY-KGNHYALCSA-N	551.646	3.599	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)c(C)c1	104559302	CYPFFRWGJZCOBB-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526140793	WBIDLPPDBWSGQN-XMMPIXPASA-N	509.559	3.774	10	10	KHCE	
Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(NC(=O)/C(Cl)=C/Cl)c2)c2c1C(=O)c1ccccc1C2=O	1615943884	DZDVPOIJGMNKIR-LCYFTJDESA-N	612.425	3.539	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccc(O)cc3)c2C(=O)OC)cc1	1860763316	DYDDMOHIIXICKE-UHFFFAOYSA-N	553.637	3.718	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864012089	QUMUQUPXYQYGMT-XMMPIXPASA-N	500.530	3.801	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864018179	DZSHETTZXCKZTF-QFIPXVFZSA-N	527.021	3.796	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867490462	QUFVBZYOWHCKJA-VBDKILDKSA-N	639.753	3.506	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867921898	DAIBVOCBJKAUTB-VMPREFPWSA-N	585.705	3.994	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)C(C)C)CC2)cc1	1868634738	POHNUAILKRUMLD-HHHXNRCGSA-N	504.631	3.999	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccc(F)cc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1	1871544419	OTWZFFSRANSMEA-UHFFFAOYSA-N	517.584	3.727	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(I)cc(I)c1O	2313510636	YIJIYLQDFWDMBF-UHFFFAOYSA-N	594.530	3.921	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	2314399298	JQTYJVSBEIVLDI-UHFFFAOYSA-N	607.758	3.682	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	101266773	UGYZLRPDHFJUKD-YNGKYYQNSA-N	550.749	3.872	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)O[C@H](C)C3)SC2=S)cc1OC	110520621	ARDRZHWICGPYAS-LYZSPRISSA-N	568.721	3.640	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-n5ccnc5-c5ccccc5)nn4)C3)CC2)cc1	585224242	XWUNUCNVERVZQX-XMMPIXPASA-N	523.641	3.903	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864012165	SXJGAERMCDFRFW-XMMPIXPASA-N	524.593	3.808	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1	1864016004	YGRULTOLPOVGJA-MRXNPFEDSA-N	508.884	3.557	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865028329	RZWXIYVOKXGHRC-JPYJTQIMSA-N	525.005	3.703	10	10	KHCE	
Cc1ccccc1CN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)CC1	1865029046	DVPPNNWTHQCFNR-AREMUKBSSA-N	531.657	3.606	10	10	KHCE	
CCCC[C@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866923866	HWBLTAGNGBYZRK-DEOSSOPVSA-N	537.576	3.979	10	10	KHCE	
O=C(CCc1csc(-c2ccccc2)n1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867048505	DIQWAMZURVDKSX-QHCPKHFHSA-N	525.586	3.634	10	10	KHCE	
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1	1867149299	MKVWNJUICDQRSV-XMMPIXPASA-N	520.545	3.748	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868618317	AAPFTJVOVICOGI-SANMLTNESA-N	577.147	3.916	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(-c4cccc(OC)c4)n3)CC2)cc1	1869308472	VSFFSXFKRMRIOD-UHFFFAOYSA-N	586.718	3.698	10	10	KHCE	
COc1ccc(Br)c(CNC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1O	2214883242	SDBYSXZQQNQMKR-UHFFFAOYSA-N	504.422	3.671	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1	2297346243	OZRTVRAUOUQICM-UHFFFAOYSA-N	547.014	3.969	10	10	KHCE	
CCc1cccc2c(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)NC3CCCC3)c12	2297508949	AUWXWARWMCYFBS-UHFFFAOYSA-N	576.719	3.800	10	10	KHCE	
O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC1=S	2314399344	QXKMRPZRAOAQKL-UHFFFAOYSA-N	621.741	3.592	10	10	KHCE	
COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)ccc1OCCN1CCOCC1	2332105314	UQWBUOJGAPBCOC-UHFFFAOYSA-N	507.484	3.889	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	254290442	MFVMVQAPIVWRJX-NDEPHWFRSA-N	577.703	3.969	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	1084092846	VVIIFDSDFDBIJA-SXGWCWSVSA-N	535.322	3.595	10	10	KHCE	
CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990961	IOEIAMKNPOIGJJ-NVQXNPDNSA-N	513.082	3.804	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc4nc(C(C)(C)C)[nH]c4c3)CC2)cc1	1862103228	VWHRSRSMSYLIEU-HSZRJFAPSA-N	507.660	3.733	10	10	KHCE	
CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)CC1	1865029340	KZJZUZRNUKBIRG-AREMUKBSSA-N	525.609	3.604	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1865031830	PBANDFBQASUGSV-DEOSSOPVSA-N	541.608	3.661	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1865033301	WNRKQWZVQDOXPR-QFIPXVFZSA-N	527.021	3.815	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867485564	YZVZICWUQFKLAG-OJXBSAKDSA-N	657.743	3.645	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867833597	MGTPJTGFJBEQJB-SQHAQQRYSA-N	540.621	3.811	10	10	KHCE	
CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc32)SC1=S	2532969	GWZFSKMDFZWGDI-QZQOTICOSA-N	509.609	3.830	10	10	KHCE	
C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S	15048151	UYHCZHDBAMTLDI-SAIXKJTDSA-N	501.424	3.506	10	10	KHCE	
CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531643	WEADYSUXCZYUDV-SYANTJLKSA-N	629.805	3.683	10	10	KHCE	
CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	143299421	XHYHRFANOXQFLL-HAHDFKILSA-N	556.710	3.958	10	10	KHCE	
COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)c1O	247910009	JRMVRJYNNNFANB-YHZQYDDPSA-N	523.542	3.553	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1	1865019829	AOVPSQGBVRZXJH-HXUWFJFHSA-N	527.547	3.974	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865381152	WGLYNSMRNKYTGA-XMMPIXPASA-N	516.646	3.693	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(F)cc3)ncnc21	1875223093	CBPCFAVJKIYJFI-UHFFFAOYSA-N	532.620	3.842	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccc(Cl)c1	2297499314	RCIVSPVBDVANPV-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	100886441	UGTPJIAUMRMSIR-DEDYPNTBSA-N	526.087	3.810	10	10	KHCE	
COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	102824545	CYRMGNVCXOLSBD-RCCKNPSSSA-N	540.667	3.522	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3c(C)cccn3c2=O)SC1=S	102836116	ALOCFXHBSMSYSS-UDWIEESQSA-N	524.624	3.581	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864018609	PBPZYALXODHIPL-QFIPXVFZSA-N	527.021	3.532	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865029899	XZYQFYKFFJUTKS-QFIPXVFZSA-N	541.004	3.606	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1865030113	COUVARBBIHTMIA-XMMPIXPASA-N	538.620	3.750	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3ccc(C)cc3)CC2)cc1	1865181443	VZWFYYZDDYVJRC-MHZLTWQESA-N	536.636	3.936	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867522375	XVQULSBEJKYJSM-UVMMSNCQSA-N	591.753	3.627	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867797142	IYPYJYMVEYHCRG-ZEQKJWHPSA-N	524.666	3.579	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1	1869065152	XVNUZSIYKADFOK-MHZLTWQESA-N	539.636	3.789	10	10	KHCE	
O=C1NN(c2cccc(F)c2)C(=O)C1=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1	2293772207	QYMRNHYNTVEJSN-UHFFFAOYSA-N	510.528	3.804	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	2296280439	MTXLUZOIBJNHQD-UHFFFAOYSA-N	533.591	3.834	10	10	KHCE	
CN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2CCCO)c2cc(Br)ccc21	2297311493	ATXMEXGHVJNVRU-UHFFFAOYSA-N	566.193	3.663	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	2297578923	UMXCIFPKFZFLIW-UHFFFAOYSA-N	577.732	3.911	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(OC)c3)C2=O)ccc1O[C@@H](CC)C(=O)O	2314936703	ZZMBZKWTNZVECI-KRWDZBQOSA-N	516.597	3.882	10	10	KHCE	
Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	100885810	CTBRXKHPAWJWOC-YRXLECQKSA-N	588.715	3.797	10	10	KHCE	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(N4CCOCC4)cc3)c2=O)=N1	108445347	PVKPFMQVQXNIRY-MBXGISOLSA-N	542.686	3.772	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865025928	FLQZYAKBWOXNHR-DEOSSOPVSA-N	538.048	3.552	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030368	IMPFGCLJFPUXAW-JOCHJYFZSA-N	525.005	3.502	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793525	UJDYXXNAOZWDNN-IZEXYCQBSA-N	580.730	3.739	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2294732809	UYIFJLVAJICXIM-UHFFFAOYSA-N	505.486	3.980	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6354187	QQULPSAKTJVJMD-OCEWKHMESA-N	557.628	3.823	10	10	KHCE	
O=C1NC(=O)C(=Cc2ccc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])c2)C(=O)N1	103772661	JKUTWVWXOZVVLY-VWLOTQADSA-N	545.983	3.909	10	10	KHCE	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	164378550	KOOTUAYZDYVVMK-AUWJEWJLSA-N	664.165	3.643	10	10	KHCE	
CC(C)(C)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858662985	MTEOMXXDWPEFOY-UHFFFAOYSA-N	519.579	3.635	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864021282	OQTWJBYWXBIGJK-RUZDIDTESA-N	527.625	3.762	10	10	KHCE	
CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)CC1	1867947207	TWQVEUFNNRZPLC-UHFFFAOYSA-N	516.646	3.681	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873162215	KTGQFEFLBIQYDD-UHFFFAOYSA-N	551.691	3.830	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	2296212943	TVNNQPIHKDVTGK-NRFANRHFSA-N	547.706	3.710	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccc(C)cc4)c([N+](=O)[O-])c3)CC2)cc1	3017475	WNYJDAIDZZTHEI-UHFFFAOYSA-N	509.584	3.848	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101909636	GQNZASNXPPNNHJ-QKYYUXOMSA-N	589.761	3.696	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)CC1	103125485	ZEGBYANKKFZLLX-ZBJSNUHESA-N	563.705	3.807	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(-n3cncn3)nc2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	504123483	OAAMAKLQLWLYQF-JVPIYLDOSA-N	648.592	3.668	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	1084300262	AHHACYCEQDKXNN-SXGWCWSVSA-N	535.322	3.595	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@H]2c1ccc(O)c(O)c1	1864016551	SAHULVSEHZUQIG-QFIPXVFZSA-N	505.619	3.524	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865031620	KWRUWXPBULNUJD-DEOSSOPVSA-N	524.577	3.563	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866624147	ATWUEZZIMYVCRN-MRXNPFEDSA-N	566.035	3.802	10	10	KHCE	
CCCC[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868625663	YFWPZBOATCSXLY-SANMLTNESA-N	577.147	3.916	10	10	KHCE	
COCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870773550	HXSWSNTVHKBRSH-UHFFFAOYSA-N	507.631	3.592	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)O	2294118660	LGUDEPYKYUMWAK-UHFFFAOYSA-N	584.750	3.782	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(C)cc1	2297345383	RJMBRJJUCYJDRK-UHFFFAOYSA-N	519.004	3.857	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4Cl)cc3)C(=N)N21	2297345728	WNKGPQUYWNNURC-UHFFFAOYSA-N	502.961	3.571	10	10	KHCE	
COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O	33698964	WUNKOYZOGUELKQ-SFQUDFHCSA-N	501.655	3.964	10	10	KHCE	
O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1	96016064	VLFKNLZNDSEVBZ-GUFPFSRMSA-N	730.631	3.977	10	10	KHCE	endogenous,in-man
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	101399356	LDBIXRSISRIGMD-FRYOISGKSA-N	520.980	3.667	10	10	KHCE	
COc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	210747921	FHPXDOWEHLQWJT-HMMYKYKNSA-N	519.670	3.743	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(I)c1O	1083942009	KPCJPYAOTZAKIB-DHDCSXOGSA-N	514.275	3.825	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864008708	QFUWSNWXWGPCCV-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864014832	DIDCBDFGVHKXOB-KRWDZBQOSA-N	538.910	3.803	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccc4ccccc34)CC2)cc1	1865129896	ABZYVKXNMASQTL-AREMUKBSSA-N	509.610	3.934	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865615753	BMJWPZSMOMNSGD-XMMPIXPASA-N	546.628	3.816	10	10	KHCE	
O=C1C(=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2296848583	HVIQVOGONICIEH-AWEZNQCLSA-N	534.040	3.529	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1	2297346370	ZUYPECTXCBOGJK-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=N)N21	101395283	BYTRGZFOAVPPBN-ISFIWZGBSA-N	532.987	3.579	10	10	KHCE	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@@H](C)O1	1554268090	WOLYEVZDZNCMBT-FSBBWMIQSA-N	593.731	3.640	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864021535	CLXAJJFKFCORFR-GOSISDBHSA-N	502.493	3.777	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1	1864022945	SHJMOWZXQHWHMA-QGZVFWFLSA-N	506.456	3.873	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3ccccc3F)CC2)cc1	1865064452	FJKPYOFCCGTOSJ-AREMUKBSSA-N	540.599	3.767	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1	1868753039	JBRWXIBZMWOLMM-MHZLTWQESA-N	526.593	3.746	10	10	KHCE	
COCCCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870980276	OSDRCPKNAWIFDD-SANMLTNESA-N	520.630	3.915	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)CC1	1873162473	WVEHQMLPXOESIS-UHFFFAOYSA-N	527.625	3.980	10	10	KHCE	
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)cc2)s1	2294259144	LUFADNDCXBQREL-UHFFFAOYSA-N	591.469	3.551	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)CC1	2323858288	CAQPMTRJOFBEAQ-UHFFFAOYSA-N	501.424	3.985	10	10	KHCE	
O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	102687499	VUNDJEDKISLROL-IYHCKTHZSA-N	558.641	3.970	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S	102844688	VMLVQMQPMZXNEV-RGVLZGJSSA-N	524.624	3.581	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)c1	1864011916	MVASFTLBNDRMQE-DEOSSOPVSA-N	506.603	3.504	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1864015644	UJDCYVKRCUTQSN-GOSISDBHSA-N	502.493	3.809	10	10	KHCE	
CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866870750	QCKRPKYUDFYCNZ-KOSHJBKYSA-N	509.562	3.739	10	10	KHCE	
COc1cccc(OC)c1C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867367818	AFYULJVKKVHRPC-BJKOFHAPSA-N	542.746	3.965	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1	1867416825	IBSBZAIIKCUUEV-SSEXGKCCSA-N	581.717	3.665	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867798772	WOVAXKVTQWRAML-SHQCIBLASA-N	538.693	3.969	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc4nc(O)c(C)cc4c3)CC2)cc1	1868810239	VIEBTWFNABFBTJ-GDLZYMKVSA-N	554.647	3.582	10	10	KHCE	
COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)CC1	1873170717	NHKPOURSADBMPD-UHFFFAOYSA-N	529.641	3.709	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)n4CC(C)C)CC2)cc1	1873550234	BGCMWSNVMTWIGZ-NHCUHLMSSA-N	506.651	3.672	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N(CCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	2314833968	XUBJXYXUEORSIH-KRWDZBQOSA-N	561.037	3.731	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)O	2314933604	WJFKDCHHZFXNMQ-UHFFFAOYSA-N	537.413	3.857	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1	33479759	HVJJDIPKKBHHLU-HYARGMPZSA-N	525.675	3.731	10	10	KHCE	
Cc1ccc(Sc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	105638802	VDLQQQKRMAEURF-BRYHAGSVSA-N	529.690	3.542	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)cc1	248061846	QJOUSJPVYONDAF-DFIMXKNXSA-N	520.586	3.905	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864021561	CPQAKGGJXBUDAT-DEOSSOPVSA-N	542.592	3.569	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccc(C)c2)=C(N)O3)cc1	1864022065	KBCHQDJCNRLSQE-QHCPKHFHSA-N	512.566	3.826	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865034748	CWSXMUSVCVBQDS-NRFANRHFSA-N	545.423	3.765	10	10	KHCE	
CC[C@](C)(NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866858083	SGZIRUDJRQGQAZ-MHZLTWQESA-N	505.477	3.602	10	10	KHCE	
CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110525214	JTROIKIDYWGALI-ULJHMMPZSA-N	579.748	3.827	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1	252671372	NHZYVVBGMSDPAH-VWLOTQADSA-N	505.640	3.653	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864009060	YNOANSZASFCVJT-AREMUKBSSA-N	526.593	3.979	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864010006	HUICRWZIAFGSLD-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1	1864015770	FISGEQBHKRFWAK-QFIPXVFZSA-N	505.619	3.524	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@@H]3c2ccc(O)c(O)c2)cc1	1864016726	WJXJQJCUWITIGO-MHECFPHRSA-N	526.593	3.510	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867630284	KEDBQUMBAAQRMV-CPCREDONSA-N	653.780	3.896	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867798773	WOVAXKVTQWRAML-SQHAQQRYSA-N	538.693	3.969	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccnc5)C4)nc(-c4cccnc4)n3)CC2)cc1	1869371981	MNZJGTBZZHFXOC-SANMLTNESA-N	509.614	3.847	10	10	KHCE	
O=C1C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	2296166933	HEJJDWTZHSKZNX-FQEVSTJZSA-N	551.669	3.540	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	2296631159	ROIKSMYTDJGKOO-UHFFFAOYSA-N	519.564	3.525	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1	2296696360	JWYYUVPXZQUKLL-UHFFFAOYSA-N	505.669	3.546	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296696375	OTVHCOQIQJOZIG-UHFFFAOYSA-N	549.722	3.563	10	10	KHCE	
COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1	34688451	XLWXDZSWNUBZLS-RABKVMQJSA-N	513.535	3.985	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101267011	VTSDJDCNWPBROX-UOIFGXKSSA-N	536.672	3.924	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)[C@@H](c2ccc3c(c2)OCO3)C1	103038237	DGUCFCVXGIAACC-AREMUKBSSA-N	578.069	3.560	10	10	KHCE	
CCOC(=O)[C@@H](C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	104069155	GRUPZHWJMCKBLF-JOCHJYFZSA-N	537.528	3.582	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1	150440863	VSMGBTIEFSAXNE-MOSHPQCFSA-N	642.575	3.960	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccc(F)cc2)=C(N)O3)cc1	1864022334	LVKHJOBNZOPWPW-QHCPKHFHSA-N	530.556	3.700	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865031034	XODZLGWTWRTYQZ-CJFMBICVSA-N	532.641	3.529	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479334	OYYJXCLQCTUGEH-AWCRTANDSA-N	619.763	3.700	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1	1868613351	NRLLCLUHYGLKEH-GDLZYMKVSA-N	524.621	3.881	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21	1875226399	CDKHWAQDGFXGSF-UHFFFAOYSA-N	560.655	3.548	10	10	KHCE	
CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	2297345439	WSIASCDRJHWSCI-UHFFFAOYSA-N	510.597	3.825	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	101737171	RLBLAWXLBCBBHM-MLPAPPSSSA-N	570.215	3.515	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CS(=O)(=O)Cc3cc(C)ccc3C)N4)CC2)cc1	102802438	HHJDHZBEPDWZQY-NDEPHWFRSA-N	562.692	3.622	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccccc1C	104560463	CFJDBNADMUDYRA-GSROUWSESA-N	542.639	3.863	10	10	KHCE	
CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110523386	PLDFKEIWUJVDBK-JCMHNJIXSA-N	569.684	3.580	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1	1858592727	VTNVVKCTPFNUNA-DOAWATSRSA-N	514.625	3.537	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864013506	BZKKSZOMUVJXLP-QFIPXVFZSA-N	517.611	3.746	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864017427	MEEIRNUSAMJLJQ-VWLOTQADSA-N	536.592	3.776	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc([N+](=O)[O-])c1	1865472460	USGDRVZFMHXMGN-DEOSSOPVSA-N	546.628	3.816	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866639475	XVHFNYNTMZWHEX-LJAQVGFWSA-N	547.633	3.558	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3cnc[nH]3)ncnc21	1875213419	WYNPPOYEOIWYIK-UHFFFAOYSA-N	502.623	3.580	10	10	KHCE	
CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OC(C)=O)[C@H](O[C@H]3O[C@H](CNC(=O)OC(C)(C)C)[C@@H](OC(C)=O)C[C@H]3N=[N+]=[N-])[C@@H](N=[N+]=[N-])C[C@H]2N=[N+]=[N-])[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@@H]1OC(C)=O	2070312677	OJRQHIXXBGZWKS-OZOIYOJBSA-N	881.814	3.531	10	10	KHCE	
O=C(O)CCCCCCCCCCN1C(=O)C(=Cc2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S	2314400974	SSJJBXLUAQPKSY-UHFFFAOYSA-N	601.795	3.606	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1	2314759599	DDGFWFOAPSAYHG-UHFFFAOYSA-N	506.646	3.631	10	10	KHCE	
COc1cc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c(N2CCOCC2)cc1OC	20496649	IUVWUQKXTJJHIZ-UHFFFAOYSA-N	524.437	3.747	10	10	KHCE	
CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2CC)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862187116	GRNOTGJSFMQLLA-ZEQKJWHPSA-N	520.674	3.553	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1	1864009900	MWKKASIBDOCBHP-HSZRJFAPSA-N	520.586	3.589	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864010293	RIMFQQDADYKSMI-QFIPXVFZSA-N	530.984	3.679	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864011360	SRUUGQFOJJUVTP-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864014958	HBBJPGKQVHJNOY-IBGZPJMESA-N	548.518	3.547	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865033517	BJSZANCNQFSCNI-HXUWFJFHSA-N	546.546	3.677	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868805773	QYWRRHRUGBBDMT-NDEPHWFRSA-N	563.743	3.637	10	10	KHCE	
CCC[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868924131	BTBHOECDQQNQRY-SANMLTNESA-N	553.704	3.851	10	10	KHCE	
CCc1ccc(Nc2nc(=NCCCn3ccnc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871586897	OFELIWVEURJCMH-UHFFFAOYSA-N	513.650	3.633	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	33904608	RDAHQDRPMFFCBY-RCCKNPSSSA-N	523.659	3.685	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2)cc1	1861955137	SJMUDMFGPULZBO-FFFSVGICSA-N	500.555	3.823	10	10	KHCE	
CC[C@](C)(NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867227724	AFYMPFGCQBOUOV-PMERELPUSA-N	579.650	3.924	10	10	KHCE	
C[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867375665	ODVKEUSBHSJDIT-JPYJTQIMSA-N	501.469	3.977	10	10	KHCE	
CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1	2296056374	PQCUZPIFYPKDIJ-UHFFFAOYSA-N	505.556	3.755	10	10	KHCE	
CCN1C(=CC=c2sc(=C3SC(=S)N(Cc4ccccc4)C3=O)n(C)c2=O)Sc2ccccc21	2296679734	IBOMMPMFDZVNDL-UHFFFAOYSA-N	523.730	3.870	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1	2297346340	XIRVOVPIIWFZDO-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(OCC)c3)C2=O)c1	2313556842	MKKJFVYMTKLXSG-UHFFFAOYSA-N	577.384	3.775	10	10	KHCE	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1	103437274	YCDNIQLTIBELIF-AREMUKBSSA-N	540.686	3.612	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccccc1	104557755	KEPIJGMIMNRCHX-SVBOREBNSA-N	549.030	3.818	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864014037	LUCHBEOBLNZEJN-QFIPXVFZSA-N	502.575	3.544	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1	1864022969	SQWCAZAUDHQZBM-SFHVURJKSA-N	546.502	3.521	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	2296706616	AEVVHZNLQCDCHY-KRWDZBQOSA-N	504.678	3.533	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2314414861	PAQZXHSMQXWEIO-UHFFFAOYSA-N	563.749	3.953	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N([C@@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	101974623	JUAYGWLUCJZDJD-LMOOTCJPSA-N	561.037	3.729	10	10	KHCE	
Cc1cc(NS(=O)(=O)c2ccc(N=[N+]([O-])c3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1	255963635	AYMVIVQKFDDNLC-UHFFFAOYSA-N	518.533	3.807	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)C2=O)c1	1084636102	PXZRFGKZYPVGMQ-ZSOIEALJSA-N	581.319	3.672	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3c(OC)cccc3OC)CC2)cc1	1862122818	ZYWUBONLFGSSGK-DEOSSOPVSA-N	521.589	3.541	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cccc(C)c3)CC2)cc1	1862284727	JPWNBQPKYNBWNT-NDEPHWFRSA-N	515.610	3.619	10	10	KHCE	
COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864009389	GLVVLESCPVCFFZ-MYYSRTQBSA-N	513.554	3.568	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(N(C)C)cc1	1865083084	OKPDRLSQHLFWAU-AREMUKBSSA-N	544.700	3.974	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1C(=O)O	1865444870	FBELVUQDILEDKW-DEOSSOPVSA-N	545.640	3.606	10	10	KHCE	
CSCC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O	1865987598	XBMLCNLELJBATA-RPBOFIJWSA-N	508.688	3.814	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3csc(-c4ccccn4)n3)C(C)C)CC2)cc1	1868901956	RNUDGTKACWNBAV-VWLOTQADSA-N	507.660	3.636	10	10	KHCE	
COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O	1873425990	QONKTTBOXJMLOD-UHFFFAOYSA-N	545.596	3.535	10	10	KHCE	
Cc1ccccc1N1C(=O)C(=Cc2cc(I)c(O)c(I)c2)C(=O)NC1=S	2296649003	YSKXFYJXMNUZDB-UHFFFAOYSA-N	590.180	3.741	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509025	LXCISFSQAWAWDL-UHFFFAOYSA-N	576.719	3.972	10	10	KHCE	
CCc1cccc2c(/C=C3/C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCC3)c12	101377592	CJHSIHYGLZHPJX-OVVQPSECSA-N	576.719	3.754	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccc(C)cc1	101395625	POPUTMQHENWGMY-NWSLSDTJSA-N	526.596	3.624	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864015374	PYEZBFSJKVILGO-GOSISDBHSA-N	502.493	3.891	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865033876	JPCVUGIQYVLVNT-GOSISDBHSA-N	502.493	3.924	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867149592	AKPFKVJPVGBIDF-SANMLTNESA-N	562.582	3.968	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H](c3ccccc3)N(C)C)CC2)cc1	1868674872	GZAKOTVQSYTFHJ-VSGBNLITSA-N	518.633	3.513	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1	1873169999	KPRUNWYYCODMQY-UHFFFAOYSA-N	537.664	3.820	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1OC	33355455	YWISJFZSNHUWMO-GNFOSXPUSA-N	552.678	3.747	10	10	KHCE	
NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)o2)cc1	34990116	HMGFPGZQOJITHC-JMIUGGIZSA-N	500.579	3.724	10	10	KHCE	
CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccc(OC)c(OC)c2)SC1=S	40066416	ORNXKPSOCJQLJJ-BKUYFWCQSA-N	512.657	3.941	10	10	KHCE	
CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1	72413121	NMIDJQXEQAYYMR-IBGZPJMESA-N	501.406	3.888	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](c5nccs5)N[C@](Cc5c[nH]c6ccccc56)(C(=O)O)[C@@H]4C3=O)ccc21	106591415	MFQALWQYXQGCIO-ZUDLYUOYSA-N	616.655	3.912	10	10	KHCE	
CCCCn1c(=C2C(=O)N(c3ccc(F)cc3)N=C2C)sc(=C2Sc3ccc(OC)cc3N2C)c1=O	254870674	BZFWVWAHONAFHC-UHFFFAOYSA-N	524.643	3.739	10	10	KHCE	
Cc1cc(C)c(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c(C)c1	1860827298	WLYJXUXFBSNFNL-XDOYNYLZSA-N	509.609	3.643	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@@H]2c1ccc(O)c(O)c1	1864020960	JHWYFXLBEICVBO-HSZRJFAPSA-N	506.603	3.773	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865395685	KJOOQXQQUDQZDI-VWLOTQADSA-N	530.673	3.939	10	10	KHCE	
O=C(O)CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S	2296715387	XVEBQAOFKALSQI-UHFFFAOYSA-N	523.636	3.566	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)CC1	2297460102	XFXGPLIBOQAXDB-UHFFFAOYSA-N	533.723	3.979	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	2314413694	FEBKXLFQSNKGHC-UHFFFAOYSA-N	554.694	3.994	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(cnn5-c5cccc(Cl)c5)c(=O)n43)CC2)cc1	100817110	RWGPUBYQVCOYEA-HXUWFJFHSA-N	537.045	3.630	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(I)o3)C2=O)cc1	103843610	KAMXQKFILHNKAX-GHXNOFRVSA-N	531.100	3.712	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	256043160	POZIORVSEBDXTB-HBYMDSJRSA-N	536.722	3.882	10	10	KHCE	
Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)cc1	1858959734	SUXSKTONALCGBG-UHFFFAOYSA-N	515.975	3.679	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864012598	DTGNSMVSHQABDZ-FDDCHVKYSA-N	539.032	3.938	10	10	KHCE	
COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1	1864022938	SCZILQUKTKUBAW-DEOSSOPVSA-N	540.576	3.941	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867440715	NEJDPGWSLNWZNF-ZTOMLWHTSA-N	625.726	3.739	10	10	KHCE	
Cc1ccc(N=c2nc(N3CCN(c4ccccc4)CC3)[nH]c(N3CCN(c4ccccc4)CC3)n2)c(O)c1	1871732121	SWFQTZWJJFEPKY-UHFFFAOYSA-N	522.657	3.704	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3C)ncnc21	1875226081	QMISQTKBVGLIGR-UHFFFAOYSA-N	514.630	3.969	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	2314542447	VEFPDCGZUFWXEN-MRXNPFEDSA-N	521.016	3.848	10	10	KHCE	
CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O	110523720	MQXPAAQOMWTESJ-CYLBCFLHSA-N	604.758	3.866	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	1615296227	UYWATLZDBWSNON-SPCBRMSGSA-N	530.693	3.820	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864011942	NJHVGFVQZIRLPA-RUZDIDTESA-N	530.556	3.680	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864014736	BBBDTCMNPZSIPH-GOSISDBHSA-N	502.493	3.828	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865029071	FMDYRUIIXXJZBU-SANMLTNESA-N	540.620	3.952	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@@H]2c1ccc(O)c(O)c1	1865031470	HRSDXKBYWUHQKA-NFBKMPQASA-N	518.614	3.829	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@H]2c1ccc(O)c(O)c1	1865032023	TWRCNHVILXRORN-QHCPKHFHSA-N	517.630	3.619	10	10	KHCE	
CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1	1865496582	VZKRBAQLSWBEHR-RUZDIDTESA-N	501.631	3.826	10	10	KHCE	
CSCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867695253	ZSDNJYJUXYSIDI-VMPREFPWSA-N	666.310	3.622	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1	2295924419	WQJZQQDXYPTPPK-UHFFFAOYSA-N	515.522	3.908	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	2313563410	FWLVRGHZMXCOMC-UHFFFAOYSA-N	552.337	3.919	10	10	KHCE	
Cc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	2314401423	YDLUBHIEPLRNCT-HNNXBMFYSA-N	529.690	3.542	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S	33498241	MBBQGZDFTGJUQX-BAOGPQIGSA-N	518.705	3.841	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864009576	BHPVRMKJKWUVFT-NRFANRHFSA-N	512.994	3.737	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864012447	ZZVGHJUQQLHTAC-QFIPXVFZSA-N	512.994	3.542	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864013029	OKPBALWXBJOBNM-QHCPKHFHSA-N	524.593	3.672	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1865031259	CUELFFWJDJPZHG-QHCPKHFHSA-N	520.630	3.933	10	10	KHCE	
COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1	1873162039	DAZWVYFWUMVORQ-UHFFFAOYSA-N	500.643	3.967	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	2296275682	MEUUZNBUUJYCPO-UHFFFAOYSA-N	509.632	3.771	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1C	2297345965	RYDWCRURKSJZSV-UHFFFAOYSA-N	512.613	3.982	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c1	2314476771	VMVDMOQKIBYFFC-UHFFFAOYSA-N	592.747	3.737	10	10	KHCE	
COc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(=O)O	2314934449	ZWDMMCUEHYHFTN-UHFFFAOYSA-N	525.608	3.752	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1	15047106	UJGXSDHUWXDXJO-QXGSTRBFSA-N	516.597	3.815	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	33890189	MGPRMFCCTDWQIY-GDUPUGJQSA-N	524.668	3.776	10	10	KHCE	
O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S	101967971	FBHSFVXAKJSTKH-JYRVWZFOSA-N	566.293	3.880	10	10	KHCE	
CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	143246944	ZILYIBQLAAVWLS-ATDNGYSZSA-N	538.651	3.769	10	10	KHCE	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	213198472	VBTKEQHJUUOGFR-BRLDDBHUSA-N	541.676	3.800	10	10	KHCE	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](/C=C\c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	254396532	XIGLDBCHPWVDID-IBTBTZCTSA-N	521.525	3.899	10	10	KHCE	
C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865034109	PIHUUYLCNUQTKR-SXGZJXTBSA-N	544.530	3.692	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866608377	FUNWERJUKJAJFY-SANMLTNESA-N	580.641	3.547	10	10	KHCE	
Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866664362	CRMNBIFPDOADKQ-QHCPKHFHSA-N	543.963	3.737	10	10	KHCE	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O	39836098	CJSRJKINIYPWCI-QGOAFFKASA-N	511.581	3.870	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(N)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl	113840214	ZBOPDVNJENZSHS-GIJQJNRQSA-N	619.512	3.665	10	10	KHCE	
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(CS(=O)(=O)O)c(CS(=O)(=O)O)c2)cc1	204940448	BYKULSJQVXFJHT-UHFFFAOYSA-N	518.657	3.774	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC3CCCC3)c2C(=O)OC)cc1	1860763691	NGSVBJUWGSSTQY-UHFFFAOYSA-N	515.632	3.755	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@H]2c1ccc(O)c(O)c1	1865033478	AOKJCRFDNUDGQN-DEOSSOPVSA-N	547.656	3.627	10	10	KHCE	
CCOC(=O)[C@@H](C)N1C(=O)SC(=Cc2cc(Cl)c(OCC(=O)OC)c(Br)c2)C1=O	2293986898	CKMTXEBKLORNMA-SECBINFHSA-N	506.758	3.642	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=N)N21	2297345346	OOGFCSOTHSLKDT-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Br)c1OCc1ccccc1	2297346047	YTYDWQDJCJLPCV-UHFFFAOYSA-N	549.428	3.658	10	10	KHCE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778134	YIRORIDPUPOLAJ-XYGWBWBKSA-N	535.622	3.720	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC	35638854	NZDGSZATJJUREI-YBFXNURJSA-N	502.570	3.728	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=N)N21	104560820	UXLDROBYKVUSLJ-HSJXSQSUSA-N	520.434	3.868	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)(c1ccccc1)N[C@H]2c1cccc(OC)c1O	247946140	ZQDOKSMZTDQQJN-WUBQMYJQSA-N	514.578	3.956	10	10	KHCE	
CCOC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	254381625	YCSJGZFOIWUWJR-UHFFFAOYSA-N	536.657	3.982	10	10	KHCE	
COCCCN(Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12	1614472320	YZVKKUBJPHTXEN-RDPSFJRHSA-N	500.636	3.626	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864018182	FBWOXEKVQXWULD-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865646243	ZULYLWLYRDZSKO-XMMPIXPASA-N	546.628	3.816	10	10	KHCE	
CCCC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868997617	JPHRDZDLJLQVRK-XMMPIXPASA-N	548.640	3.954	10	10	KHCE	
CCCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870618230	SRMXEXIATTZJOO-UHFFFAOYSA-N	505.615	3.711	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(I)c3)C2=O)cc1	2294134228	XEESGKNANBKVIQ-UHFFFAOYSA-N	527.112	3.734	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)CC1	2295982119	HBLBCRFVKDUDMJ-UHFFFAOYSA-N	535.695	3.948	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S	2296001981	XAYHQAPGTUQOSW-UHFFFAOYSA-N	521.668	3.641	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	2313561171	XTFCFGJXVJYGMY-UHFFFAOYSA-N	582.201	3.829	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O[C@H](CC)C(=O)O	2314935739	RWNZGRCMYLGVDS-QGZVFWFLSA-N	536.653	3.730	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S	35304425	IQDLYMGTJDRFMM-XDJHFCHBSA-N	504.678	3.858	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O	35315135	RCCIGFNXIBAQMH-HEHNFIMWSA-N	524.668	3.986	10	10	KHCE	
Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)cc1	35960458	LXMYCJKUGNGIKB-MUUNZHRXSA-N	531.632	3.625	10	10	KHCE	
CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	40067031	KTMAZIOFWDPXIQ-GRSHGNNSSA-N	514.604	3.866	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1	101398289	LZYHBGLSYGCFBT-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	105919623	FKUCGHMOZKCHNP-ZPHNARBXSA-N	529.556	3.646	10	10	KHCE	
CC[C@](C)(NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862072360	JUUVBIDZKGVVOT-LJAQVGFWSA-N	501.631	3.617	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccs1	1865332032	PSTSPEGYTCHDEB-HSZRJFAPSA-N	507.660	3.969	10	10	KHCE	
COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425586	GXQCCWMFSIPCLI-UHFFFAOYSA-N	556.663	3.724	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	2294229414	RLBLAWXLBCBBHM-UHFFFAOYSA-N	570.215	3.515	10	10	KHCE	
CCCOc1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1	2330193093	IXKHTMHXTYSONW-UHFFFAOYSA-N	509.584	3.865	10	10	KHCE	
CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	2365424892	SRMYPORDCSMVOH-PKTZIBPZSA-N	504.539	3.527	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(N3CCN(CCO)CC3)nc12	100850593	LUAIJBHQWOBSIZ-DARPEHSRSA-N	615.822	3.914	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S	101971486	ZVJFXLYWSIUTFP-XBDQXEDDSA-N	516.453	3.869	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1	102679119	JKAUXSGRLYMIDY-CCWVLBSLSA-N	551.646	3.599	10	10	KHCE	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccc1O)CC2=O)NCc1ccccn1	514287351	WQQCKUYRTNEYAM-WPUBAZMZSA-N	540.664	3.909	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864009800	FBOMJIYLDCDUKQ-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1	1864013644	DZBLFZFHKGAWEZ-QHCPKHFHSA-N	534.613	3.845	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1	1865026440	JCKCASHVSJQNNV-XMMPIXPASA-N	501.631	3.908	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1865030640	NPEZFDHXBGPFSJ-DEOSSOPVSA-N	538.620	3.750	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@H](CO)C2)=C(N)O3)cc1	1865033140	SQFCVKQCDWCZGI-MHECFPHRSA-N	548.640	3.551	10	10	KHCE	
CC[C@@](C)(NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868744637	NRADRBAXNUCHED-GDLZYMKVSA-N	543.730	3.790	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873422025	BUISFCDPXNVCSU-UHFFFAOYSA-N	501.543	3.639	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1	2297345826	GOSLLLWNLSZQJH-UHFFFAOYSA-N	526.596	3.704	10	10	KHCE	
COc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	104563234	QQNBOSRWVXEDBX-SMKDVUIYSA-N	542.639	3.943	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C	254791752	NSIBPFQXKFSBEN-VWLOTQADSA-N	505.640	3.652	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2	1864013364	AHAIDNBRTFDXMW-XMMPIXPASA-N	536.629	3.801	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1	1864020722	GACJZCGIWZMPKF-CMJOXMDJSA-N	522.602	3.856	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865029781	VFIFBGQKQMFHGW-GCJKJVERSA-N	525.005	3.567	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(F)cc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865424611	GTEAKXHRPUBMBA-QHCPKHFHSA-N	523.584	3.796	10	10	KHCE	
COc1ccc(CN2C(=O)c3ccc(C(=O)NCC(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1	1867446244	YUBPONDWVUSAKS-SSEXGKCCSA-N	597.716	3.631	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21	1873551889	BVBZVVSAOSKMLT-NHCUHLMSSA-N	506.651	3.816	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1	2297346217	NCDDJBOQYLBFHJ-UHFFFAOYSA-N	523.379	3.834	10	10	KHCE	
CN1CCCc2cc(CNC(=O)c3ccc(CN4CCC(O)(c5ccc(Cl)cc5)CC4)[nH]c3=O)ccc21	14883211	OEAXPBHEQKGBTR-UHFFFAOYSA-N	521.061	3.824	10	10	KHCE	
O=C1c2ccccc2-c2onc3c(N4CCN(c5ncccn5)CC4)cc(N4CCN(C(=O)c5ccco5)CC4)c1c23	29749461	OCAYGWZGGKGMKN-UHFFFAOYSA-N	561.602	3.711	10	10	KHCE	
Cc1cc(N2CCOCC2)ccc1CN1CCC2(CCCn3cc(nn3)COc3ccccc3CNC2=O)CC1	643568924	RMYFBFWOUSFWCY-UHFFFAOYSA-N	544.700	3.695	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865030394	IZUJFGDSYFTBLJ-DEOSSOPVSA-N	523.678	3.828	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3ccco3)CC2)cc1	1865306218	WZJJCZNVIBVVRN-AREMUKBSSA-N	525.609	3.885	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1	1871581117	XOGFGKZEIUPTAV-UHFFFAOYSA-N	515.593	3.559	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873165934	XIYQWIQCVPHNJQ-UHFFFAOYSA-N	532.666	3.944	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296696384	UNUNXIVIVDXOCS-UHFFFAOYSA-N	505.669	3.546	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	2296845298	XFZYNHWQUNCUMH-UHFFFAOYSA-N	535.695	3.555	10	10	KHCE	
CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)c(Br)c1OCC(N)=O	2296908833	WCRDDHAACKUGLW-UHFFFAOYSA-N	581.217	3.979	10	10	KHCE	
COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	2297511658	WQVGGGRFPAYRJJ-UHFFFAOYSA-N	526.958	3.728	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865025702	BZRFSODWIYVRTJ-AREMUKBSSA-N	544.583	3.506	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1865031295	DPWWWFMNVGUYFZ-XMMPIXPASA-N	526.593	3.697	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873168158	KYLWEEREYNNRIP-UHFFFAOYSA-N	509.566	3.658	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(NC[C@H](O)c3ccccc3)nc12	2296849725	GLBOLZDLYLYRSZ-FQEVSTJZSA-N	552.678	3.995	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	2314414140	QNANMFQYGUKSKK-QFIPXVFZSA-N	594.784	3.850	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O	214756643	AIBCVKHWQURLQB-LDADJPATSA-N	503.558	3.938	10	10	KHCE	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	1081105076	QQZDRWMSQRDGND-FYJGNVAPSA-N	515.522	3.702	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4[nH]c(-c5ccc(F)cc5)nc4c3)CC2)cc1	1862094172	HKFIBMUEKVPBQA-SFHVURJKSA-N	501.562	3.845	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864012154	SPZLJYDHEBBWNF-RUZDIDTESA-N	530.556	3.680	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864014051	MEUARHHYFAIZQR-QHCPKHFHSA-N	546.027	3.976	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2	1864014511	WVVICXUGEKOZJA-XMMPIXPASA-N	511.582	3.950	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865033315	WWBRSGUIQYXHRL-QHCPKHFHSA-N	538.048	3.748	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1	1871569860	XXRUYFVFIAYTMH-QFIPXVFZSA-N	510.042	3.925	10	10	KHCE	
CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O	1873167796	XUMDFIHWUUPQLK-UHFFFAOYSA-N	502.663	3.782	10	10	KHCE	
CCC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	2297497925	JCDCIZUEKPGDHF-YVEFUNNKSA-N	557.930	3.676	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2297510229	OVXJRWZCDBBFEK-UHFFFAOYSA-N	531.977	3.976	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	2313557021	RDJQMTSALPCNFA-UHFFFAOYSA-N	594.374	3.870	10	10	KHCE	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	96459952	WSIASCDRJHWSCI-RKTZKFLQSA-N	510.597	3.825	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1864010169	JFYZFJSHXJAYBR-XMMPIXPASA-N	500.555	3.592	10	10	KHCE	
O=C(N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1	1867194582	DIMLEBDUIORQEA-AREMUKBSSA-N	571.593	3.779	10	10	KHCE	
CC[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868595642	KGMJLRUAMHKYJN-XMMPIXPASA-N	508.644	3.517	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869036570	HEPMSKUTQLSLND-FIPFOOKPSA-N	511.622	3.832	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873164033	JCKVALVEMSWCCN-UHFFFAOYSA-N	546.674	3.873	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	2296717930	OYIZKLUQPUVYMV-UHFFFAOYSA-N	570.096	3.659	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21	2297345487	BGAYPZNEGSTFSE-UHFFFAOYSA-N	527.584	3.821	10	10	KHCE	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314507462	KBHPUYVUMKPSHT-QGZVFWFLSA-N	541.676	3.746	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCSc4ccccc4)c(OC)c3)C(=N)N21	101395458	GNMNUUZAHRXMTA-YHBINRDGSA-N	530.653	3.878	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2nc4ccccc4[nH]2)[C@H]3c2ccc(O)c(O)c2)cc1	1864008771	RULBQQAZPUAOFD-SANMLTNESA-N	536.592	3.830	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864008923	VBWCNNWORSWYHS-XMMPIXPASA-N	546.967	3.985	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864012797	JGNFYFQLNKUMPU-VWLOTQADSA-N	541.608	3.693	10	10	KHCE	
C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031424	GPXOMFKLTPNGTH-LPMFXHHGSA-N	530.503	3.633	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccc(O)cc3)CC2)cc1	1865110173	AYZBKHYPJXBKRW-MHZLTWQESA-N	537.620	3.938	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(-c3ccccc3)cc2)N2CCCCC2)cc1	1867352403	BDMDRIOAPWLNTQ-URLMMPGGSA-N	514.670	3.854	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(-c4ccccc4)n3)CC2)cc1	1867972077	QEMXQEWJSOGFED-UHFFFAOYSA-N	508.630	3.595	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCNc3ccccc3OC)c3ccccc3)CC2)cc1	1868797433	AXVZFSJDFUEZBQ-MUUNZHRXSA-N	502.615	3.712	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4cccc(C)c4)cc3)C(=N)N21	2297345501	CDCHXYBFKNZWOS-UHFFFAOYSA-N	512.613	3.854	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C	2297345915	MXMWTMDDCAZPIS-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
O=C1N=C(N2CCN(C3=NC(=O)C(=Cc4cccc([N+](=O)[O-])c4)S3)CC2)SC1=Cc1cccc([N+](=O)[O-])c1	2297453723	QLBQABXBCHLAEF-UHFFFAOYSA-N	550.578	3.761	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1OCCC(=O)O	59815503	KUAHWZJHZUOAAU-GZTJUZNOSA-N	537.413	3.857	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	100850384	YELZPWLIJRHIKH-JPHQKMQESA-N	566.705	3.769	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccs1	104563450	SXIPGOHTNGXMNQ-XMXHIQRUSA-N	532.625	3.766	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	256024887	JINZDXVURDZMCG-NMZOYVMTSA-N	658.849	3.726	10	10	KHCE	
O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	1084234630	BYAJGQVWUMXWAY-YHYXMXQVSA-N	513.728	3.536	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864014688	AFPSJBZDULZQSG-GOSISDBHSA-N	502.493	3.889	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(C(F)(F)F)cc3)CC2)cc1	1865555702	HWABCHFLFHKTFK-JOCHJYFZSA-N	527.547	3.799	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1	1867790076	JCDRMETXHBOLMU-DITALETJSA-N	644.773	3.888	10	10	KHCE	
CCC[C@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868655322	OXTBKFRGWUWHKE-DEOSSOPVSA-N	520.630	3.843	10	10	KHCE	
COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C(C)C)c(C)o2)cc1	1868657264	OCRYVAWPQHXMFD-HHHXNRCGSA-N	520.630	3.699	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	150448675	JINZDXVURDZMCG-CSTMSCBYSA-N	658.849	3.726	10	10	KHCE	
CCCCc1ccc(N2C[C@H](C(=O)NC(C)(C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	1862164607	HUKCMKMGAPUOQH-HSZRJFAPSA-N	520.674	3.634	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864010603	OTNDUERFTDTBMI-QHCPKHFHSA-N	506.603	3.518	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2CCO)[C@@H]3c2ccc(O)c(O)c2)c1	1865027267	XDARKLAMMQHZMO-BKMJKUGQSA-N	532.641	3.726	10	10	KHCE	
NC1=C(C(=O)N2CCC(O)CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031149	ZUXGEECVPJFQIH-XMMPIXPASA-N	524.577	3.628	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCC(O)CC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865032099	VOQCBCFOAYHTEN-VWLOTQADSA-N	538.604	3.937	10	10	KHCE	
CCC[C@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868922890	UFXRRONVRCCHPH-NRFANRHFSA-N	545.706	3.732	10	10	KHCE	
O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	2296848545	CXUOWHQWWKLZGL-IBGZPJMESA-N	504.637	3.637	10	10	KHCE	
Cc1ccc(N2C(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	2297301509	UUQCQCPDDFIDRZ-UHFFFAOYSA-N	554.216	3.815	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)c(OC)c3)C(=O)N=C2S1	101398696	RBNSQTINPKXSSN-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OCC	103478147	OJAVUNHGQVRDBG-LZYBPNLTSA-N	523.767	3.905	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011350	SLRAPBVOQCTFKB-WMZHIEFXSA-N	504.587	3.534	10	10	KHCE	
NC1=C(C(=O)NCc2cccnc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864016838	YLTHIWPTDPFZRH-DEOSSOPVSA-N	532.560	3.752	10	10	KHCE	
O=C(CCc1nc(-c2ccc(F)cc2)cs1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867068663	AESZIJHNWNILFY-QFIPXVFZSA-N	543.576	3.773	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479155	WOXHJPQLQTUARZ-XZWHSSHBSA-N	596.732	3.796	10	10	KHCE	
CCC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692688	FBJHTPYOUIJCCY-CLJLJLNGSA-N	521.658	3.984	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)CC2)cc1	1868991376	VRSZHFXTRNLYOP-MHZLTWQESA-N	538.652	3.614	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3C[C@@H]3CCCO3)CC2)cc1	1870690114	SJLZTWLAHJQIKL-NDEPHWFRSA-N	503.643	3.980	10	10	KHCE	
CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1	1871640682	LAPPYWDRJUEGEH-UHFFFAOYSA-N	519.694	3.930	10	10	KHCE	
Cc1ccc(CN2C(=O)C(=Cc3c(NCCCN4CCOCC4)nc4ccccn4c3=O)SC2=S)cc1	2296730242	LZLAFFMNIMAYHA-UHFFFAOYSA-N	535.695	3.539	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600288	XJIFGCLTXIZACB-SFHVURJKSA-N	520.723	3.782	10	10	KHCE	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1	6157282	VXNLBGIIEMZSIZ-NHOPXOSBSA-N	519.564	3.525	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccco1	101399659	JJVJAERKPOOBPZ-XJWHVNBWSA-N	530.584	3.545	10	10	KHCE	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=c1\s/c(=C2\Sc3ccccc3N2C)c(=O)n1Cc1ccccc1	102101133	VURRSYPTEONZKN-JTFGNLGHSA-N	555.641	3.748	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCc3ccc(Br)cc3)CC2)cc1	1861951727	INBKPAKRVMWKTH-HSZRJFAPSA-N	500.437	3.730	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1	1864021683	FMGQZWGQPAHPDB-QGZVFWFLSA-N	512.529	3.741	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865026980	UZZUXUCRXBBMCY-DEOSSOPVSA-N	538.048	3.552	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(C(C)C)n3)CC2)cc1	1869101218	FQWBVQCRUPDQJH-SANMLTNESA-N	512.658	3.881	10	10	KHCE	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3ccc(F)cc3)CC2)cc1	20289329	YZJGWDMQQBCBCE-KBMIEXCESA-N	510.635	3.580	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	34798809	JATWULGNVLFCMJ-LTGZKZEYSA-N	505.669	3.546	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1860711087	QXMIGRGCCCBZBX-UHFFFAOYSA-N	513.594	3.828	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1	1864023368	YLCZSSHNDHKUQM-LJQANCHMSA-N	532.519	3.989	10	10	KHCE	
CC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866899332	XRDUBMVHIPTEMU-SANMLTNESA-N	564.642	3.668	10	10	KHCE	
Cc1ccc(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	1867249878	AKWZWPLPDSJOLD-RUZDIDTESA-N	508.530	3.978	10	10	KHCE	
CC(=O)OC[C@H]1O[C@H](Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	2053475891	CDVBCDJCQLWGKB-GLOKNNJPSA-N	602.976	3.575	10	10	KHCE	
COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	2296697716	CYRMGNVCXOLSBD-UHFFFAOYSA-N	540.667	3.522	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(-c4ccccc4)cc3)SC2=S)cc1	2314827299	BAJISAVLTAFBKS-UHFFFAOYSA-N	509.634	3.841	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	33497829	TVWBOFZZNHQZMD-XDHOZWIPSA-N	504.561	3.918	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC	40940546	OWZQCHKWTDVTDU-KGENOOAVSA-N	513.641	3.797	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110523104	BMVFOSCRWNBZEY-OQLNFPPLSA-N	567.712	3.894	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC	206924674	OWZQCHKWTDVTDU-STZFKDTASA-N	513.641	3.797	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1	1864016310	MBGYTYGGSBNTBM-JOCHJYFZSA-N	500.530	3.691	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@H]2c1ccc(O)c(O)c1	1864017047	DFLRTHOYBUECRE-QHCPKHFHSA-N	527.581	3.786	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(F)cc1F	1865414700	DMJPDHFUIZVHFL-DEOSSOPVSA-N	523.584	3.932	10	10	KHCE	
CCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867639214	MHWKFOSLUNAYES-SVBPBHIXSA-N	507.679	3.953	10	10	KHCE	
O=C(CN1C(=O)SC(=Cc2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Br)cc1	2293998946	MOZDHXAAUFRSEI-UHFFFAOYSA-N	502.390	3.961	10	10	KHCE	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	2296542821	XFUVDCNDHOQQBB-QGZVFWFLSA-N	536.635	3.724	10	10	KHCE	
COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1	2296629402	JJHNQZHLLWYBCQ-UHFFFAOYSA-N	533.610	3.785	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2296927210	YZNZWIXNWIJEKM-UHFFFAOYSA-N	511.559	3.631	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600242	UCRQBNFFNANRBK-IBGZPJMESA-N	518.682	3.704	10	10	KHCE	
Cc1ccc(S(=O)(=O)c2nc(/C=C3/SC(=S)N(C4CCCC4)C3=O)oc2N2CCOCC2)cc1	33398175	KJBSHTIQYCHLIA-NBVRZTHBSA-N	519.670	3.796	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	1083990572	QLAMWXHUDQTOOB-ZROIWOOFSA-N	551.390	3.760	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864013765	FQYMNARDRZBFCD-QHCPKHFHSA-N	506.603	3.719	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864018194	FJXRGMMIYUFNJZ-JOCHJYFZSA-N	504.518	3.648	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864018718	BADQIWCGRRZPEY-RUZDIDTESA-N	526.593	3.925	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3ccccc3)CC2)cc1	1865013218	KCKYNPRJSUJHKK-AREMUKBSSA-N	522.609	3.628	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865030764	QILFCEBCOBDYBD-DEOSSOPVSA-N	517.630	3.700	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1	1871513851	JXPDZMLGIWMRTQ-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1	1871517068	PAPWRRXQKFYUJO-UHFFFAOYSA-N	501.566	3.829	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1	1871570498	CMGXHLOIPDCIEX-UHFFFAOYSA-N	512.058	3.909	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(NCCCn4ccnc4)nc4ccccn4c3=O)SC2=S)cc1OC	2297455958	RURIEHALGFNQDU-UHFFFAOYSA-N	576.704	3.854	10	10	KHCE	
N=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2297468576	UUDQLXDUYOFRPJ-UHFFFAOYSA-N	524.002	3.787	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	2313557663	IWYGUHKKSGWGCP-UHFFFAOYSA-N	570.165	3.959	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc(C)cc1	20206726	IHCPBSWICPXTLY-JLFKZYKSSA-N	512.613	3.984	10	10	KHCE	
Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1	35960446	RHDRABXFLGAXBB-RUZDIDTESA-N	519.671	3.547	10	10	KHCE	
O=[N+]([O-])c1cccc(/N=N/N(c2cccc([N+](=O)[O-])c2)C(Br)(Br)C(O)O)c1	59464993	FMANBBHPHBNIAP-ISLYRVAYSA-N	505.079	3.763	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1	101266762	CKRJZQJVRWQVFT-PGLQMZEQSA-N	524.686	3.613	10	10	KHCE	
COC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	101737423	PHCZVVHAILPOIM-VOSMRYOYSA-N	621.531	3.811	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)Cc3ccc(-n4c(=S)[nH]c5ccccc5c4=O)cc3)CC2)cc1	102756762	NHDWHHKMMVTAPX-UHFFFAOYSA-N	543.693	3.928	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	150426258	OHJGMIFSOPEWPS-XDHOZWIPSA-N	626.938	3.895	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	1772756606	XLSWCVWJTJYQBF-JSLWAVJJSA-N	560.719	3.829	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864016443	PGIMHCWMZDEUMO-QFIPXVFZSA-N	500.530	3.979	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865030779	QRGUWKLRLPPEOF-VWLOTQADSA-N	532.641	3.590	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c2nccn2C)cc1	1866007331	LVIONMDVPOFSSC-ILBGXUMGSA-N	535.645	3.719	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCc3ccccc3F)CC2)cc1	1868601781	QAFXUCYMGXWVPA-LJAQVGFWSA-N	547.627	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1	1868629760	CIOANZRPAQVTHP-SANMLTNESA-N	558.591	3.558	10	10	KHCE	
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	2313558494	CCWDHQHLIQAKLE-UHFFFAOYSA-N	506.939	3.651	10	10	KHCE	
CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	143312215	UKFVYIMSQZPVTL-NHDPSOOVSA-N	554.650	3.845	10	10	KHCE	
COc1ccc(CCN2C(=O)[C@H]([C@@H]3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)SC2=S)cc1OC	606671985	IYRHVECLZUDVCH-VXKWHMMOSA-N	592.786	3.964	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(CC)n(Cc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861904218	GOWUCLUGJZNXQZ-AREMUKBSSA-N	503.647	3.750	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc(Cl)s3)CC2)cc1	1862249322	YFENNAOYLHEADL-OAQYLSRUSA-N	500.020	3.806	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H]1COc3ccccc3O1)[C@H]2c1ccc(O)c(O)c1	1864016649	UTUVQPMBOOPNRN-DVECYGJZSA-N	540.576	3.632	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864016835	YKKPMURIVSRREO-XMMPIXPASA-N	544.583	3.996	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864018098	CJYALRHEOHSVHX-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865026909	SUMZMMMCFJAXQT-QIPPXTIRSA-N	542.995	3.774	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2	1865030032	ASXNYZVHKZYTJZ-DEOSSOPVSA-N	517.630	3.619	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865030333	HZAOOROFHFPLQE-SANMLTNESA-N	545.684	3.942	10	10	KHCE	
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866589527	WPAJAKHZSHHCID-CJFMBICVSA-N	576.696	3.644	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O	1867500155	XMWMEDWFFQCGFK-ZDERHKTGSA-N	625.726	3.636	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCn4ccnc4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1	1871527548	CXJCMBOGVVSYQK-UHFFFAOYSA-N	513.650	3.688	10	10	KHCE	
Cc1c(C(=C2C[C@H](C(C)C)C(=O)[C@@H](CN(CC(=O)O)CC(=O)O)[C@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O	2048409369	HIEMKKVAUHDMPJ-HQQGYVGFSA-N	760.859	3.812	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	2297345263	GUVPOFOKWCNOSV-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
Cc1ccc(Sc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314401132	VDLQQQKRMAEURF-OAHLLOKOSA-N	529.690	3.542	10	10	KHCE	
O=C(O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N=c4nc(Cl)nc(Cl)[nH]4)c3c2O)cc1	2333254063	QSJQRXPHTBITPY-UHFFFAOYSA-N	615.389	3.810	10	10	KHCE	
CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccc(OC)c(OC)c2)SC1=S	40066568	OOYKMVADNZJJCR-BKUYFWCQSA-N	512.657	3.848	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC	103466362	JNECYXDHRVFDGM-RCCKNPSSSA-N	538.651	3.732	10	10	KHCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	210722556	ZOZUCRRXLMLAQV-UULHFOEUSA-N	501.655	3.900	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864012595	DQSAFFHQXWIJQT-XXBNENTESA-N	539.032	3.938	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864013133	QTHMPDRCFPNFEC-QHCPKHFHSA-N	549.031	3.725	10	10	KHCE	
NC1=C(C(=O)N2CCc3ccccc3C2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1865034152	QMSHRIKTGHIBFN-NRFANRHFSA-N	549.509	3.977	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867605754	CCINBNDYAASKKN-IHLOFXLRSA-N	607.777	3.514	10	10	KHCE	
COCCc1nc(N2CCN(Cc3ccc(C)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1867952880	CQBXEOWVRCGTQS-UHFFFAOYSA-N	516.690	3.631	10	10	KHCE	
CCCCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873552089	GHNGLSSXJLNLAG-SFTDATJTSA-N	506.651	3.816	10	10	KHCE	
COc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	2296730342	YSBMCSOEGXPICE-GOSISDBHSA-N	508.625	3.695	10	10	KHCE	
COc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c([N+](=O)[O-])cc1OC	2296796736	RFSXDSULVNWRNI-UHFFFAOYSA-N	512.569	3.816	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4ccccc4OC)c4ccccc34)C(=N)N21	2297345247	FRRPTDMOGVKGNP-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018816	RHHCFFVZVNWNTG-OYHNWAKOSA-N	542.995	3.687	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865037816	RXYRXGWXANTIMM-AREMUKBSSA-N	539.636	3.858	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1	1867918668	KAEPIOFVPIDQFG-NDEPHWFRSA-N	585.705	3.994	10	10	KHCE	
CCN(CC)CCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871526250	LGHBREWZJMNARJ-UHFFFAOYSA-N	504.683	3.743	10	10	KHCE	
CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	2296098690	HMMFZAPNDXYYLM-UHFFFAOYSA-N	504.328	3.716	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296235657	NFOSHKZCDZCCCM-UHFFFAOYSA-N	549.722	3.957	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)CC1	2314476491	PHYIUNJICDRDIA-UHFFFAOYSA-N	635.768	3.806	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N21	96460770	COCXCQJGLMVZHG-WMARBNCOSA-N	514.560	3.692	10	10	KHCE	
COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1	101399418	HUCZLMYMDOOFFF-SVKNRIHUSA-N	542.639	3.800	10	10	KHCE	
CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O	110523781	IGMYKXUWYAFTNI-JLPGSUDCSA-N	568.721	3.736	10	10	KHCE	
CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O	110528173	FGGWFPGWQVADGF-QRVIBDJDSA-N	552.678	3.795	10	10	KHCE	
COc1ccc(CN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC	1873164657	LMUXKPHKYGPVQD-UHFFFAOYSA-N	502.615	3.543	10	10	KHCE	
COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O	1873165140	DJOKULKAYMKNLF-UHFFFAOYSA-N	501.583	3.787	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	2296732313	UMWWLDFHPRYDCG-UHFFFAOYSA-N	567.668	3.535	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	2313562293	KYBNYJQILXRZMT-UHFFFAOYSA-N	507.886	3.810	10	10	KHCE	
O=C(O)CCCNC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S	2314836487	FYSRCGQAKFSIFJ-UHFFFAOYSA-N	515.451	3.897	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@H]3c3ccc(OC)c(OC)c3)CC2)cc1	59523596	ZOPPBDNCTAJFKU-KYJUHHDHSA-N	575.662	3.989	10	10	KHCE	
CCOc1cc(C2=NN(C(C)=O)[C@H](c3cc(I)ccc3OC(C)=O)O2)ccc1O	64965602	IEFRRQHXLBLJIA-FQEVSTJZSA-N	510.284	3.560	10	10	KHCE	
CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143335382	DUEVYHQYGDINLV-QKYYUXOMSA-N	570.762	3.871	10	10	KHCE	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)cc1	248376547	CWCASEAXMUTTAE-TVQWTUMOSA-N	563.404	3.874	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526139236	IGMWAXCUGREMOU-VWLOTQADSA-N	505.596	3.943	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2	1864010842	PNFSJTQXQQZCII-FKIZINRSSA-N	533.412	3.734	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015368	PSDAEEPIUBMEIP-FXAWDEMLSA-N	544.530	3.660	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865027066	FDSCKXWCGVCYKO-HHHXNRCGSA-N	543.668	3.823	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3F)CC1)[C@@H]2c1ccc(O)c(O)c1	1865034579	ZWUYABHFFCBWSV-LJQANCHMSA-N	547.509	3.516	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)CC1	1865035029	JKVAFJYYOSLQSE-SANMLTNESA-N	545.684	3.771	10	10	KHCE	
COc1cc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(Br)c(OC)c1OC	1865883621	JTHKFPSGMIVUKV-IBGZPJMESA-N	503.397	3.794	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1	1868753038	JBRWXIBZMWOLMM-HHHXNRCGSA-N	526.593	3.746	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1	1868760212	IXGMJXXZWSZCEQ-GDLZYMKVSA-N	523.637	3.879	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(C4CC4)[nH]n3)CC2)cc1	1868968113	JDLCSGJJXZYKNQ-AREMUKBSSA-N	519.671	3.676	10	10	KHCE	
COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)CC1	1873170784	QJCDCKUTDUIIQW-UHFFFAOYSA-N	520.674	3.695	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@@H]3CCCO3)nc12	2314414172	RKFLQKGDPNBKTB-FQEVSTJZSA-N	588.715	3.797	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=C(C)c3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3)CC2)cc1	2331349087	PIPMVBMQLGZQNC-PMERELPUSA-N	576.719	3.555	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)c2)CC1	150448288	PHYIUNJICDRDIA-OOAXWGSJSA-N	635.768	3.806	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1	1861991372	KBTFCEAPIFVZEK-JOCHJYFZSA-N	513.082	3.804	10	10	KHCE	
CC[C@](C)(NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997402	NXVOIRKLBIIVDB-IADCTJSHSA-N	510.654	3.680	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864008038	AQEWSDPVQIGGIY-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864013339	WGMYXUFPWHBNTL-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865027162	VFZIFCOFSPDRBZ-WBPRFABPSA-N	525.005	3.635	10	10	KHCE	
CC(C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867231290	VMSUJULZIYREMT-HXUWFJFHSA-N	587.434	3.793	10	10	KHCE	
COc1ccc(CCN2C(=O)c3ccc(C(=O)NCC(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1	1867495322	PFPWUQDOXMHCHJ-HKBQPEDESA-N	611.743	3.673	10	10	KHCE	
CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873426191	WCJOFVCNAKVICE-UHFFFAOYSA-N	542.636	3.795	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2295832700	XKALFFQRPQJUMA-UHFFFAOYSA-N	524.624	3.581	10	10	KHCE	
Cn1cc(S(=O)(=O)N2CCN(C3=NC(=O)C(=Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)S3)CC2)cn1	2328652944	OEEQMFAJGDBZSM-UHFFFAOYSA-N	545.731	3.698	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccc(OC)c4)c(Cl)c3)C(=O)N=C2S1	101399163	RNUUZKBYKBCHCB-JICKLIGNSA-N	532.987	3.579	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1	104562443	CRDPDSLISWKRCN-BVDVPRQSSA-N	526.596	3.562	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1	104562617	GGBLXQNWKBAVPQ-MRKXPFMVSA-N	528.612	3.553	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	110531425	DCFNIEUDGVWDAN-KQWNVCNZSA-N	583.711	3.970	10	10	KHCE	
CCCCn1c(=C2C(=O)N(C3CCCCC3)N=C2C)sc(=C2Sc3ccc(OC)cc3N2C)c1=O	252669833	IUBMPGWPOSOPBO-UHFFFAOYSA-N	512.701	3.728	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1	254442582	DGQAKNDVROYUPF-AREMUKBSSA-N	535.666	3.749	10	10	KHCE	
CCC[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862069925	WALFCDCMSQOZIG-VWLOTQADSA-N	501.631	3.617	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@@H]2c1ccc(O)c(O)c1	1864016060	ZJRBTXZTZRTYPE-HSZRJFAPSA-N	519.646	3.770	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@H]2c1ccc(O)c(O)c1	1864017090	FIEGZPQBVKJCSN-DEOSSOPVSA-N	547.656	3.677	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865602561	KCGWRVKNVMWKMT-XMMPIXPASA-N	518.662	3.872	10	10	KHCE	
COc1ccc(-c2csc(CCC(=O)N[C@@H](CO)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1	1867072081	KRUJEMNHXNAMJY-QHCPKHFHSA-N	555.612	3.643	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4ccc(C)cc4)cn3CCCO)CC2)cc1	1870777336	OBPWSTTVWWCZLU-UHFFFAOYSA-N	521.658	3.718	10	10	KHCE	
O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCc1ccccc1	1870960415	QVFDRAQPZFWUFZ-UHFFFAOYSA-N	512.610	3.934	10	10	KHCE	
COC(=O)C1CCC(CN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873166229	HUYQSFGCKPKACC-LQOCYXTFSA-N	519.642	3.922	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6354189	QQULPSAKTJVJMD-MKWGYRPRSA-N	557.628	3.823	10	10	KHCE	
COc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc(Br)c1OS(C)(=O)=O	101393600	RFKSWEIXAAOSKD-CVFXPJKISA-N	547.478	3.762	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864016986	BJLITGCEUOEFGZ-HSZRJFAPSA-N	530.556	3.988	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864018183	FBWOXEKVQXWULD-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@@H](CO)C2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031238	CATCMWYWMMBKDA-CLOONOSVSA-N	538.604	3.876	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(F)c1	1865546998	ZPYZAMGEUUMWGB-DEOSSOPVSA-N	505.594	3.793	10	10	KHCE	
Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)n3n2)n1	1874016213	CKPOPKBYANGZRC-UHFFFAOYSA-N	505.538	3.664	10	10	KHCE	
Cn1c(C=C2C(=O)Nc3ccc(Br)cc32)nc2ccc(I)cc2c1=O	2296754070	ZHXPDCOVCATYSZ-UHFFFAOYSA-N	508.113	3.793	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccc(C)c1	2297345571	IHGNEDGPYDERTJ-UHFFFAOYSA-N	540.623	3.870	10	10	KHCE	
CC(=O)c1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1	17413938	ZPBZGZKHVGORRL-IEWVHIKDSA-N	596.688	3.540	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccc(F)cc1	104562225	JYQAKLFXQQGCRV-PELVVCESSA-N	544.586	3.701	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864006982	CAHRXQJDWZIWGS-JOCHJYFZSA-N	504.568	3.673	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1	1864016586	SXMZWDJFPTUEIH-HSZRJFAPSA-N	512.566	3.560	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865033435	ZOVCHBBXTLOZKG-JPYJTQIMSA-N	539.032	3.957	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)=C(N)O2	1865037011	KUQRBHDFJBEYND-VWLOTQADSA-N	548.640	3.809	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)CC2)cc1	1868987325	ZJDXUTDQQZAOEG-HHHXNRCGSA-N	556.642	3.753	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3Cc3ccncc3)CC2)cc1	1870563027	IPDFOPDUBQFSFP-UHFFFAOYSA-N	515.614	3.806	10	10	KHCE	
COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)cc2OC)cc1	2296538494	RWXYNSKDBYOZHV-SFHVURJKSA-N	545.660	3.711	10	10	KHCE	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1C	2297508722	CCKCFKSMHZYCJS-UHFFFAOYSA-N	536.610	3.849	10	10	KHCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	2313682267	YUVXONMAEFDHMA-UHFFFAOYSA-N	507.532	3.603	10	10	KHCE	
Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc([N+](=O)[O-])cc1	33592351	NGVARQPQRDVTNS-BUVRLJJBSA-N	522.583	3.540	10	10	KHCE	
COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1	98015177	JPEVRWKPIOPBAP-HSZRJFAPSA-N	553.685	3.752	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1c(C)cccc1C	101397729	UJPWJKCMHDDDOD-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccccc4OC(F)F)c(=O)n32)cc1	101578806	WJDJWXPSQYEACQ-RNHBDSLOSA-N	527.593	3.856	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864013863	HRELSXGFYMOZNW-XMMPIXPASA-N	530.629	3.977	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864018743	BRWJVRPOZXQQQY-VWLOTQADSA-N	533.673	3.674	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865032876	NFUPHGMNGQDJFT-HSZRJFAPSA-N	504.587	3.808	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cc(C)ccc3O)CC2)cc1	1865196890	VKZMZMCCXVEMRW-AREMUKBSSA-N	531.657	3.914	10	10	KHCE	
CCCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1	1865267964	MMAVAWBYYYKYTQ-RUZDIDTESA-N	517.630	3.569	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865475031	BVCUWJQSVCFGBL-VWLOTQADSA-N	547.656	3.622	10	10	KHCE	
COc1cc2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c(OC)c1OC	1866458223	DOQFUKGVQDFRSW-JOCHJYFZSA-N	508.619	3.577	10	10	KHCE	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	2294095112	JQJWWDSHZOQCHD-UHFFFAOYSA-N	501.333	3.674	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O[C@H](CC)C(=O)O	2314935664	QFRDDHWHVOWFDA-MRXNPFEDSA-N	516.597	3.882	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(cnn5-c5ccc(C)c(C)c5)c(=O)n43)CC2)cc1	100817599	OOHXDPZEQINYIR-QFIPXVFZSA-N	530.654	3.593	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	102614519	OYPDHXRTJQYLNM-ZBJSNUHESA-N	535.695	3.649	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccccc3)nc12	105638776	QRRDPRSTQJALKY-PWDRBQJJSA-N	529.690	3.542	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864009574	BFRFCJXHQZMRHS-DEOSSOPVSA-N	528.613	3.642	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864009801	FBOMJIYLDCDUKQ-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864013073	PNZMSTOIFVHNKB-OFVILXPXSA-N	532.641	3.902	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864018977	FWFIQFMYKAQOBK-VWLOTQADSA-N	540.576	3.645	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864020166	WQZMUTNFVJQNNG-RUZDIDTESA-N	533.673	3.674	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3ccc[nH]3)CC2)cc1	1865599193	SKXXGZUEBYCYTJ-SANMLTNESA-N	524.625	3.869	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479340	OYYJXCLQCTUGEH-ZGIBFIJWSA-N	619.763	3.700	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21	2297345481	ATWFRKAFOCVBIX-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	2297508818	NNDGXCIXPBAYIB-UHFFFAOYSA-N	549.649	3.809	10	10	KHCE	
O=C(O)CNC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S	2314832006	XQUGQDCFNRFPFU-UHFFFAOYSA-N	566.293	3.880	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1	20207783	PFYSHVZFOZBBTE-MRDWGVERSA-N	504.977	3.549	10	10	KHCE	
CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C1CC1	37423748	XNJHPZBDMRJIGE-UHFFFAOYSA-N	502.637	3.953	10	10	KHCE	
CCc1cccc2c(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)NC3CCCC3)c12	101377747	AUWXWARWMCYFBS-WPWMEQJKSA-N	576.719	3.800	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCc4ccccc4C3)nc12	102621990	MNKGZVMURXKTHW-ISXGRJCASA-N	518.664	3.946	10	10	KHCE	
CC(C)c1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	1860826518	FUHJIFLZPQXCHO-DQRAZIAOSA-N	509.609	3.841	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864012594	DQSAFFHQXWIJQT-WMZHIEFXSA-N	539.032	3.938	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1864022678	PSIBGKKKDQPTID-ZUOKHONESA-N	540.498	3.647	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1cccc(OCC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865246978	IKNLPLIOASWUQZ-RUZDIDTESA-N	531.657	3.823	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccccc3O)CC2)cc1	1865528048	ZHBQTZVITBVHGN-RUZDIDTESA-N	517.630	3.605	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCCC(=O)c3ccc(Br)cc3)CC2)cc1	1868734922	LUVYDFUCAFPBHB-GOSISDBHSA-N	516.436	3.664	10	10	KHCE	
COc1ccc(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(OC)cc5)S4)CC3)=NC2=O)cc1	33924600	VPUDXKWBIQYNHI-YHARCJFQSA-N	520.636	3.962	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1	102677874	SYNJIPMURYFXBA-QURGRASLSA-N	525.608	3.507	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3Br)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	725440397	VIYAWHWQLMZJCH-QHCPKHFHSA-N	556.482	3.635	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011528	JDZLMGDRHLZFOB-JOCHJYFZSA-N	512.994	3.540	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015031	IKTJXUGQMFTBTJ-FZKQIMNGSA-N	502.493	3.971	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865033376	YKZSDPLCFYRKOY-FQEVSTJZSA-N	531.396	3.706	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3cccc(I)c3n2)c2nccn2C)cc1	1866527559	FTTKGNUQDNRXFM-FQEVSTJZSA-N	527.366	3.864	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867219991	MPGQRSDKKZCPPJ-VWLOTQADSA-N	554.647	3.760	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1	1868655394	QTKKRKHJTPWHFA-DEOSSOPVSA-N	552.697	3.796	10	10	KHCE	
CCOCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871260095	QVWMOLKLLXRESS-UHFFFAOYSA-N	508.619	3.508	10	10	KHCE	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br	2294093861	YBEYQJLDWCQWLZ-UHFFFAOYSA-N	501.333	3.620	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl	2294616074	SSUQNBHYJKIADW-UHFFFAOYSA-N	662.533	3.876	10	10	KHCE	
CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990150	PNKHCXFREPRKMA-BFURNPMBSA-N	516.689	3.987	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H](C)O1	575229524	RDYXRPGVNWOQLW-ASWXRQSZSA-N	765.768	3.581	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5cccc(Cl)c5)[nH]c4c3)CC2)cc1	1861890823	YDBVECDRZFKXPV-UHFFFAOYSA-N	503.990	3.971	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(C)c2)[C@H]3c2ccc(O)c(O)c2)cc1	1864007715	SMSZFSVZRUOUSW-VWLOTQADSA-N	512.566	3.920	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864017203	HYKZCBSPDLZVKO-QHCPKHFHSA-N	506.603	3.864	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864023089	UJBHIXSVRWJADS-IBGZPJMESA-N	542.518	3.653	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865033216	UVAKLNHEQDVDLR-MBSDFSHPSA-N	539.032	3.957	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)=C(N)O2	1865035862	ATKJRDAVBBDBOT-AREMUKBSSA-N	545.684	3.860	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)C(C)C)CC2)cc1	1868687597	GZWLOVCIYANXSM-VAVYLYDRSA-N	521.658	3.840	10	10	KHCE	
COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)n2)C[C@H]1C	1869364350	ZKYNCHBZXVZPIY-PSWAGMNNSA-N	531.705	3.809	10	10	KHCE	
CCCCOCCCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873164563	HPHKTQUAPFHKKB-UHFFFAOYSA-N	564.708	3.818	10	10	KHCE	
CCn1c(C(=O)NCCc2ccc(F)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873569684	WVBHUNPKXPAXED-UHFFFAOYSA-N	502.594	3.898	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(-n3cncn3)nc2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	504123478	OAAMAKLQLWLYQF-BESNRVDSSA-N	648.592	3.668	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864009099	ZFDGEMJFGQZKOD-XMMPIXPASA-N	506.603	3.669	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864012970	NEEJXFXJXKGBKZ-RUZDIDTESA-N	542.640	3.689	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1	1864023107	ULYACFMDQODMFG-BLVKFPJESA-N	548.518	3.922	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2	1865034704	CDYQKMXJRUDDAX-DEOSSOPVSA-N	509.566	3.520	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865037817	RXYRXGWXANTIMM-SANMLTNESA-N	539.636	3.858	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1	1867416824	IBSBZAIIKCUUEV-PMERELPUSA-N	581.717	3.665	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867518371	NZKMACYIGTXIIY-VMPREFPWSA-N	591.753	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1	1868645636	VTYIXGATJJEBKH-XMMPIXPASA-N	540.661	3.927	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)CC2)cc1	1868767685	WCWFOIXHUAFIIA-UHFFFAOYSA-N	540.462	3.809	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=N)N21	2297345611	LYKBLOUZHWGNSU-UHFFFAOYSA-N	502.961	3.571	10	10	KHCE	
O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc(I)cc(I)c1O	2313518327	POHOVMCVWCXSLN-UHFFFAOYSA-N	610.971	3.825	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1	101397041	JSOVKNSYKDWWQM-SVBOREBNSA-N	549.030	3.818	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1ccc(C)cc1	102467548	VCQPOKUQAHUWFC-BRKMNUETSA-N	547.014	3.888	10	10	KHCE	
N=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(C(F)(F)F)=NN12	102470050	FWRKJYODUAFVQZ-BQDBMTOVSA-N	525.446	3.544	10	10	KHCE	
CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O	110529171	NHGWTBHVCRXNMR-BWAHOGKJSA-N	617.801	3.784	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@@H]2COc4ccccc4O2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008025	AEIVBOWMTJVRSN-FQRUVTKNSA-N	540.576	3.551	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864011516	IWKCUYDEJKHYJM-DEOSSOPVSA-N	540.064	3.847	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864011807	YSFAMXPSDZRKEJ-JOCHJYFZSA-N	535.004	3.666	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864012366	YJYFAJCQJABWDH-JOCHJYFZSA-N	506.559	3.863	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCCCO)[C@H]3c2ccc(O)c(O)c2)cc1	1864015000	HSXVFNOVELPASL-IBGZPJMESA-N	532.519	3.584	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864018178	DZSHETTZXCKZTF-JOCHJYFZSA-N	527.021	3.796	10	10	KHCE	
COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1N1CCN(C)CC1	1867223696	USGWRKHOQVQQEO-RUZDIDTESA-N	586.714	3.713	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3C=C3SC(=S)N(C(C)C)C3=O)CC2)cc1	2297312658	QSVXEOWYUWXXPD-UHFFFAOYSA-N	535.695	3.948	10	10	KHCE	
Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	2297345187	ANPBFRNQHYXXAK-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
CCOc1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)cc1	102394227	UTANECPALCTGJZ-KCOUNZPASA-N	574.746	3.901	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCN4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	102834673	NPWXSSDJNFZKDV-LYBHJNIJSA-N	579.748	3.590	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1	526567837	YZVKJQDNQBKNOG-XMMPIXPASA-N	521.522	3.975	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864012615	FHOZWILCTYOOMD-XMMPIXPASA-N	511.582	3.701	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864013742	ZPDNSMSPTNLSDA-HSZRJFAPSA-N	515.545	3.781	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015001	HSXVFNOVELPASL-LJQANCHMSA-N	532.519	3.584	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1	1864016045	ZEKKPOZLIHWCMF-LPHOPBHVSA-N	530.503	3.601	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3ccc(C)cc3)CC2)cc1	1865181441	VZWFYYZDDYVJRC-HHHXNRCGSA-N	536.636	3.936	10	10	KHCE	
CCCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)c1	1865267744	ZPSOKFWBIOOETG-RUZDIDTESA-N	531.657	3.823	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccc(F)cc3)CC2)cc1	1865518814	HZCVAJBBBGBIRA-IBGZPJMESA-N	531.510	3.630	10	10	KHCE	
CC[C@](C)(NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866802492	FJCBJSDTVGYNIR-PMERELPUSA-N	578.643	3.567	10	10	KHCE	
CCOC(=O)CCOc1cn(Cc2ccccc2C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870452030	BHGFEIGWDAUTAD-UHFFFAOYSA-N	519.642	3.868	10	10	KHCE	
CCN(CC)C(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871082980	BHPKCRYITDFJTB-UHFFFAOYSA-N	505.619	3.587	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3OC)CC2)cc1	1874643481	YSOIHDLZKDPKDA-HHHXNRCGSA-N	512.610	3.875	10	10	KHCE	
O=C(O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br	2294229110	VEWCLEIZPLTUNU-UHFFFAOYSA-N	558.179	3.645	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCOCC3)nc12	2297461118	BFKLNZLBOHSUHC-UHFFFAOYSA-N	506.653	3.674	10	10	KHCE	
Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1	2314399707	CAMUNFWPOTXNRT-QGZVFWFLSA-N	533.679	3.667	10	10	KHCE	
O=C1C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	2314432792	GVUMTTVKZXMBHN-UHFFFAOYSA-N	538.626	3.578	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2314838008	ZVJFXLYWSIUTFP-JTQLQIEISA-N	516.453	3.869	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1OCCC(=O)O	2314932129	KUAHWZJHZUOAAU-UHFFFAOYSA-N	537.413	3.857	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1	105451782	WXCQZDMMYRWTCZ-HKWRFOASSA-N	541.699	3.815	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	110531418	DQWCVPKLTTVOHI-HMAPJEAMSA-N	569.684	3.580	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H](C)O1	1848439329	RDYXRPGVNWOQLW-LVMNNVBTSA-N	765.768	3.581	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865029720	UFQKONWRMZQDBB-HSZRJFAPSA-N	539.032	3.815	10	10	KHCE	
CC(C)(NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867265071	WTJQECZORYXHAW-UHFFFAOYSA-N	508.534	3.577	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1	1869123594	ZDVYHVSAXPEKTQ-AOYPEHQESA-N	563.699	3.720	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1	1873169228	GHKSZKBMANEIRT-UHFFFAOYSA-N	538.652	3.562	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCCC1	2314765017	ROVHJGVWQGBKNU-UHFFFAOYSA-N	525.652	3.941	10	10	KHCE	
CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S	40938796	DUHLLSSUHIUGQN-HMMYKYKNSA-N	508.662	3.877	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(C)cc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	102998021	KWXBEACHVFUCDB-CPOKCXMASA-N	544.720	3.811	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCCC(=O)O	210910743	ZWDMMCUEHYHFTN-ZHZULCJRSA-N	525.608	3.752	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864016517	RENXNHYMEFIDDK-QHCPKHFHSA-N	530.556	3.606	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1	1864017782	VDAQVOAYCZFYEH-JOCHJYFZSA-N	516.554	3.984	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864022817	YMOXVACYHXMTFF-HSZRJFAPSA-N	522.602	3.541	10	10	KHCE	
CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865028727	YZLPONRXQOYMBY-QFIPXVFZSA-N	544.439	3.757	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)=C(N)O2	1865028969	CHZNJHTYBYTDMZ-VBIRRTOMSA-N	543.668	3.811	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(OC)c(O)c3)CC2)cc1	1865139959	KGUHINPJGHOBQD-SANMLTNESA-N	547.656	3.614	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1	2295838590	CWUJCVPCARKCPL-UHFFFAOYSA-N	563.705	3.663	10	10	KHCE	
N=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	2296056499	ZKOMWFPRFCFRPX-UHFFFAOYSA-N	518.555	3.805	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297508969	DCSBLAGHKAPPCV-UHFFFAOYSA-N	621.716	3.767	10	10	KHCE	
CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S	2314761902	ZYOVPDUCEJRTTF-UHFFFAOYSA-N	506.646	3.631	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21	104562517	BGAYPZNEGSTFSE-KKVJOTPGSA-N	527.584	3.821	10	10	KHCE	
O=C(O)CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	110572736	KPHMVXIINRDJNV-HAVVHWLPSA-N	598.728	3.626	10	10	KHCE	
O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(Oc3ccccc3)cc2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21	150603782	QKNFDVNAJGYWSU-UHDWSPHASA-N	630.609	3.998	10	10	KHCE	
COc1ccc(CCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1861937839	UUKXYHWJOSLGMF-MUUNZHRXSA-N	501.627	3.713	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864011259	DWYQHSZDGBHAIE-RUZDIDTESA-N	532.547	3.983	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864011907	MOQUXGNSVGKTEV-QHCPKHFHSA-N	527.021	3.930	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1	1862216520	AJUPETJXDUYTHJ-MBSDFSHPSA-N	506.068	3.703	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012740	IFJWRQBHHHOLRU-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864016109	HRBFAFDMLCQHES-XMMPIXPASA-N	526.593	3.775	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019557	LYFLILWZTHJZPZ-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCCN4CCOCC4)c(OC)c3)C2=O)cc1	1865665257	JXWCPMUFAQHESM-HKWRFOASSA-N	505.493	3.763	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1	1868900953	HEYNBTPTFBTIAH-MUUNZHRXSA-N	571.703	3.928	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(F)cc1	2297346027	XOXNXYXMHFUNIY-UHFFFAOYSA-N	544.586	3.843	10	10	KHCE	
CCCCCN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	2297460207	GGBYKTFMGQLMNM-UHFFFAOYSA-N	529.688	3.673	10	10	KHCE	
COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	2313557415	CJRGUUBENMUZMD-UHFFFAOYSA-N	545.102	3.868	10	10	KHCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NN1CCN(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)CC1	106096953	HCYVBPTURYUOEP-DFEHQXHXSA-N	553.454	3.533	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN([C@H]4NC(=O)/C(=C/c5ccc(C)cc5)S4)CC3)C2=O)cc1	1616083778	GPTBQPHHZYEUMK-URBAQRFDSA-N	594.784	3.927	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864007144	GRTQWAGQDCEVCJ-DEOSSOPVSA-N	522.602	3.618	10	10	KHCE	
COc1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1	1867012760	CSASJHSFXMURCA-UIOOFZCWSA-N	526.589	3.860	10	10	KHCE	
CCCC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868815981	SKHNQUTVIAKDHC-SANMLTNESA-N	504.631	3.824	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	2296555139	WTPRZTRYVWNMLL-UHFFFAOYSA-N	515.522	3.908	10	10	KHCE	
CCCOC(=O)c1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	2326944750	MFRFXEYAEZGXGR-UHFFFAOYSA-N	510.593	3.846	10	10	KHCE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778124	ZRJQIIXJJKLKNQ-XYGWBWBKSA-N	536.610	3.930	10	10	KHCE	
COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)N3CCOCC3)c2)n1	100963010	IITSYLCEWNILPC-UHFFFAOYSA-N	549.697	3.723	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCCOc1ccccc1	101395423	HLRXJPFTSVKCIY-BTSLSPDOSA-N	542.639	3.945	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4C)c(OC)c3)C(=N)N21	101395547	UKWRCLGEZISBJW-UIBINATQSA-N	542.639	3.863	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1	101740642	CXXYCCZIDDVNTA-SFQUDFHCSA-N	557.488	3.915	10	10	KHCE	
O=C1/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	109561174	GVUMTTVKZXMBHN-HKWRFOASSA-N	538.626	3.578	10	10	KHCE	
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	1858626528	IYKNAKWCPWQUSW-UHFFFAOYSA-N	533.606	3.626	10	10	KHCE	
CC[C@@H](C(=O)OCc1ccccc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826781	MOPKRECFULZFKA-UNEBPCJRSA-N	510.593	3.601	10	10	KHCE	
CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864022035	JGFAKDDXGGFMQY-QGZVFWFLSA-N	506.456	3.720	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865034059	ODJIDJBFZINAMK-HXUWFJFHSA-N	549.594	3.895	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3cccn3C)CC2)cc1	1865342821	FFYSPJSRTUWTGW-SANMLTNESA-N	524.625	3.571	10	10	KHCE	
Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn12	1867043556	JGYHVSOTFINJDG-QHCPKHFHSA-N	564.627	3.568	10	10	KHCE	
COc1c(Br)c(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC	1867444235	LBTUXIIIBDJPAV-PMACEKPBSA-N	686.442	3.738	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)N2CCCCC2)cc1	1867516401	XCLUHIIMBGDZQF-NDEPHWFRSA-N	559.711	3.755	10	10	KHCE	
O=C1C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1	2314433347	MMPLEEFKFAIJQU-UHFFFAOYSA-N	512.657	3.572	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1	38619877	BZCZRRXYMHRCMI-JOCHJYFZSA-N	516.520	3.925	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]32)cc1	248061854	QJOUSJPVYONDAF-IMBSWCNGSA-N	520.586	3.905	10	10	KHCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526139131	JKIPVZATDFPVEZ-VWLOTQADSA-N	521.595	3.643	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864012394	ZCIBUUKAEXCSEZ-DEOSSOPVSA-N	500.530	3.801	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2	1865028930	BNIRLKRCNNIHDV-JOCHJYFZSA-N	549.628	3.653	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4cccc(C)c4)cn3C[C@H](C)O)CC2)cc1	1870779790	ALGWXGMJJJIADY-DEOSSOPVSA-N	521.658	3.716	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCN3CCCC3=O)ncnc21	1875208285	CEARYJRNOPAQEN-UHFFFAOYSA-N	533.677	3.627	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)C(=Cc4ccccc4)SC3=S)n2)cc1	2314913617	DOKSTGDXCDEQLN-UHFFFAOYSA-N	530.678	3.839	10	10	KHCE	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@@H]3C2=O)cc1	248375073	AJNGTUROWFTQHZ-TVQWTUMOSA-N	608.401	3.782	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)NC2=S)c(OC)c1	1084522563	WTDLNZKIPWCUEK-NDENLUEZSA-N	505.552	3.641	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CC2)[C@@H]3c2ccc(O)c(O)c2)c1	1864015041	ILLLFUKEOQNQIU-LJQANCHMSA-N	514.504	3.951	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccc(O)c(O)c1	1864016850	YQKHQKBUEZGIBT-DENIHFKCSA-N	504.587	3.607	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccc(O)c(O)c1	1864021669	FFKBHMMGRHXKQF-LJQANCHMSA-N	546.502	3.709	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2	1865028683	XWOYVQFEFUFQLW-HXUWFJFHSA-N	511.376	3.671	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865035834	AANNDQQCNFYWBP-DEOSSOPVSA-N	517.630	3.556	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccco1	1865313257	VLGYAODRKSAGND-LJQANCHMSA-N	531.535	3.957	10	10	KHCE	
COc1c(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	2297638890	DAWPPBVMZGJLEN-UHFFFAOYSA-N	541.560	3.713	10	10	KHCE	
CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@H]1N=Nc1ccc2ccccc2c1S(=O)(=O)O	255973465	GCEMWNJIUIGABR-SFHVURJKSA-N	522.948	3.862	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)cc(I)c1O	1084350260	CRMPRKUUXXCMMX-UXBLZVDNSA-N	547.143	3.730	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2	1864009299	DPZOMQUXKCENPA-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864011550	VELMLRVQPRHHIA-NRFANRHFSA-N	546.455	3.915	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864012713	HHQLBLXZNLMPHQ-QHCPKHFHSA-N	506.603	3.531	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864013507	XLCTWRUEXWIPCH-QFIPXVFZSA-N	527.021	3.796	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864013799	GIJIBYUZNNGOBO-NYHFZMIOSA-N	532.984	3.796	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865035860	ATDGJLHQJMTSHA-RUZDIDTESA-N	531.657	3.552	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(F)c(Cl)c4)cc3)CC2)cc1	1892129233	DZDCBFCVZIBMPT-UHFFFAOYSA-N	518.010	3.929	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509027	MAGVYSPTGJDNKX-UHFFFAOYSA-N	536.610	3.930	10	10	KHCE	
Cc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	2314401424	YDLUBHIEPLRNCT-OAHLLOKOSA-N	529.690	3.542	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=O)N=C2S1	20208530	GZJTXWFMRQPUJJ-PZRDSRLZSA-N	508.990	3.632	10	10	KHCE	
CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	110529570	JVRFVYYKIIPWRI-ULJHMMPZSA-N	579.748	3.827	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252667886	DNQFFPJGGLVIMK-MHZLTWQESA-N	575.691	3.763	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526139379	JTDOBPNBUQAOHI-RUZDIDTESA-N	505.596	3.943	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2	1864009844	LNHXMYZHPYIVQQ-LZPCYPMJSA-N	513.598	3.767	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2O1	1864014260	QQLYIUUPMNHPGK-JOCHJYFZSA-N	532.984	3.797	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2	1865025540	BMXLSRLSOSTDHH-AREMUKBSSA-N	541.583	3.774	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865027019	DAWYHFSUPMTUJK-JLCFBVMHSA-N	545.423	3.824	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865031179	ATOAQSOTSJLQJE-XMMPIXPASA-N	523.593	3.542	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3F)CC1)[C@@H]2c1ccc(O)c(O)c1	1865031187	AYGRESUXGPEGJQ-XMMPIXPASA-N	541.583	3.681	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866923868	HWBLTAGNGBYZRK-XMMPIXPASA-N	537.576	3.979	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4ccc(F)c(F)c4)[nH]n3)CC2)cc1	1868932362	OJLQNCOZYZZDGN-QFIPXVFZSA-N	529.613	3.564	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	100851283	XQLMUFZQNOJEQW-BNKSZWPGSA-N	536.679	3.761	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864012724	HWHQBAHPJDMEKO-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865026987	CJQBIUAFKLCXGU-RUZDIDTESA-N	534.613	3.787	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865033091	RMTSVNQILDPWDX-DVECYGJZSA-N	518.614	3.612	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1	1865033744	HKBZVQXJJFXBIT-HSZRJFAPSA-N	525.565	3.671	10	10	KHCE	
C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867403230	CLROPUANXAGLNP-WZONZLPQSA-N	501.469	3.977	10	10	KHCE	
CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890887	MRPOIZZIDYOJLA-UIOOFZCWSA-N	519.646	3.932	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1	1868931331	NUCFBCFLJCEBCR-VWLOTQADSA-N	511.688	3.862	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC4CCCCC4)cn3CC(C)C)CC2)cc1	1870491868	YGINFQSBQPJTQE-UHFFFAOYSA-N	510.679	3.663	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)n4CC(C)C)CC2)cc1	1873550236	BGCMWSNVMTWIGZ-SFTDATJTSA-N	506.651	3.672	10	10	KHCE	
CC1=NN(c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)C(=O)[C@H]1/N=N/c1ccc(Nc2nc(F)nc(F)c2Cl)cc1	111492107	KXQHRWALALFEOE-AVGDDSQUSA-N	601.957	3.520	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	252667712	DHTMBGXSBUWSME-MHZLTWQESA-N	565.692	3.670	10	10	KHCE	
[N-]=[N+]=NCCCNC(=O)c1cc(I)cc(I)c1I	706324489	IMCZYHCRPUUTRA-UHFFFAOYSA-N	581.921	3.931	10	10	KHCE	
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1[N+](=O)[O-]	1860599235	KNHVEIPRHRATLL-UHFFFAOYSA-N	513.506	3.870	10	10	KHCE	
CC[C@@H](C(=O)OC1CCCCC1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826582	INKHUVDJLHCTDR-JVMRMLDLSA-N	502.614	3.734	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864011881	MEZXUQDNUMBUIM-XMMPIXPASA-N	524.593	3.808	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864013838	HEGWPGQSPPJTGB-DEOSSOPVSA-N	536.629	3.931	10	10	KHCE	
CCCCCOC(=O)COc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870420878	NUEZSXFZFOFALJ-UHFFFAOYSA-N	523.630	3.933	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	2314476135	JINZDXVURDZMCG-REHUZNOOSA-N	658.849	3.726	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)CC2)cc1	8598863	RDRNWYPUWIVXQC-HSZRJFAPSA-N	516.689	3.655	10	10	KHCE	
CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	526312784	WYPDNPPDEMUOCG-XMMPIXPASA-N	526.567	3.600	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1	1862202374	JPAGVFRFLJZJAS-HXUWFJFHSA-N	510.443	3.631	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864014005	LFFCITMWRPMOJP-XMMPIXPASA-N	520.630	3.965	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864018846	RZFFQPSQXSLHOG-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865028392	UBFPXXYYKDANSY-NRFANRHFSA-N	547.395	3.615	10	10	KHCE	
COc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)cc1	1865633835	BIYHBSBZJWZQFE-SANMLTNESA-N	531.657	3.908	10	10	KHCE	
CSCC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867263790	NBUXCIYYHURCKU-HSZRJFAPSA-N	554.628	3.920	10	10	KHCE	
COCCc1nc(N2CCN(CCCc3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869110578	UMFBPMIGQUDUJF-UHFFFAOYSA-N	560.743	3.764	10	10	KHCE	
CCN(CC)CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1	1871594631	RCFBQSVCWDCTRP-UHFFFAOYSA-N	518.710	3.555	10	10	KHCE	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CS[C@@H]21	1874017992	ZZABULHDRAIVAN-CLYVBNDRSA-N	500.532	3.688	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCCN5CCCC5=O)ncnc4n3Cc3ccccc3)CC2)cc1	1875214149	FUYOMCIXHYNRAN-UHFFFAOYSA-N	567.694	3.875	10	10	KHCE	
CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1	2297307312	PWTPZNXYNDTLCR-UHFFFAOYSA-N	529.556	3.790	10	10	KHCE	
COc1cccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1	2297345753	YTGSCQYFQNIVCJ-UHFFFAOYSA-N	542.639	3.800	10	10	KHCE	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1	2313656821	RTPYLMSZCLCBDL-UHFFFAOYSA-N	506.418	3.851	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCC3)nc12	2314400654	PKIOKOOUJZMZRJ-UHFFFAOYSA-N	558.689	3.807	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1	2305287	OBWUCTPVFYPNSV-VGOFMYFVSA-N	507.724	3.795	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c3[N+](=O)[O-])CC2)cc1	40611127	RGSGTGJTXIVWBO-UHFFFAOYSA-N	509.998	3.700	10	10	KHCE	
O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(I)cc(I)c1O	103818452	ZBULTHDPBVAOHW-UHFFFAOYSA-N	548.070	3.784	10	10	KHCE	
CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864014748	BHKUWQCHCOYUDI-KRWDZBQOSA-N	506.456	3.720	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864018480	LYLYKINKDQVLKI-HSZRJFAPSA-N	524.593	3.670	10	10	KHCE	
CCC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866905101	OYKFYIHFSFDQDS-SANMLTNESA-N	525.605	3.765	10	10	KHCE	
CCC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868909512	JWBUIDNJKUNQRG-XMMPIXPASA-N	507.660	3.780	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(C(C)(C)C)n3)CC2)cc1	1869194551	NLHJIXCQZWKVID-AREMUKBSSA-N	518.637	3.926	10	10	KHCE	
CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870365991	BAVJEJDYIZOCDE-HHHXNRCGSA-N	506.647	3.586	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc([N+](=O)[O-])cc1	2297345602	KZONXIYMAYHFIT-UHFFFAOYSA-N	543.583	3.584	10	10	KHCE	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(I)cc1	2313561073	SMUKLGQTUJCHRV-UHFFFAOYSA-N	513.154	3.885	10	10	KHCE	
O=C(O)CCCCCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S	2314482408	KJHSYKATCHHKCZ-UHFFFAOYSA-N	536.613	3.915	10	10	KHCE	
COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC	97655857	OTXLYMCGOFCXND-FLIBITNWSA-N	501.491	3.683	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	100850978	SSHTVJTZDFOKSW-DSFJGVSNSA-N	602.742	3.820	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	207308130	PTZWWAWHUCTVQC-CPOKCXMASA-N	573.762	3.995	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011780	YHCBIZHTLAMVEO-PGRDOPGGSA-N	525.005	3.879	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864017056	DMKLZVRIZKKGJD-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)CC1	1865025919	FIGSUJSTDGYAIO-XMMPIXPASA-N	538.048	3.553	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1	1865034308	SYBMNRLGRINMMI-GOSISDBHSA-N	518.467	3.818	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(OC)cc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865541848	LYLPLXYCXPUFKD-RUZDIDTESA-N	547.656	3.535	10	10	KHCE	
C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867875257	WSIHFPGXLZYKCC-SBUREZEXSA-N	502.015	3.776	10	10	KHCE	
CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(OCC)cc2)n1	1867998904	SIKKQLAZHUHKQY-UHFFFAOYSA-N	505.619	3.877	10	10	KHCE	
CC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868693374	MTKVLWQDNIOUKF-LOSJGSFVSA-N	507.631	3.594	10	10	KHCE	
COCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870604596	RQKYQRXWXQCLEV-UHFFFAOYSA-N	521.658	3.846	10	10	KHCE	
CCCOc1c(I)cc(I)cc1C=C1SC(NC(C)=O)=NC1=O	2294956864	UMZFFBYYIJBIQW-UHFFFAOYSA-N	556.163	3.791	10	10	KHCE	
O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O	2314935926	TVNQBFRAFBKOFJ-UHFFFAOYSA-N	522.507	3.914	10	10	KHCE	
COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1	102475261	ODYSDHUBKYLUTR-IYYHIDBJSA-N	533.610	3.785	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1	206703632	SOLFLSRUGFUNDY-HKWRFOASSA-N	506.646	3.933	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	254791749	NSIBPFQXKFSBEN-RUZDIDTESA-N	505.640	3.652	10	10	KHCE	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(ccc([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@@H](C)O3)c1O)C2=O	257379344	AQBUFJBHZGRZRV-HDCFGVJHSA-N	589.641	3.515	10	10	KHCE	
C/C=C1\CN2[C@H]3C[C@@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	257622844	XMPQOOTZKXFCNH-BRQMDKGSSA-N	636.698	3.540	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864022038	JGWXMVOQHPPBFL-SGTLLEGYSA-N	518.492	3.914	10	10	KHCE	
CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1	1865031967	SEZGRODXPBCHBL-HXUWFJFHSA-N	543.546	3.550	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)C(C)C)CC2)cc1	1868674271	XSNPZAWBUQFREP-WUFINQPMSA-N	500.643	3.906	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccncc4)n(-c4ccc(Cl)c(Cl)c4)[nH]3)CC2)cc1	1869969901	XSFUTVGIVGONRM-UHFFFAOYSA-N	524.412	3.979	10	10	KHCE	
CCCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870508192	AYEJLNRBDOPPNX-UHFFFAOYSA-N	518.658	3.627	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N21	2297345703	TXRYHQDNVBZCCM-UHFFFAOYSA-N	514.560	3.692	10	10	KHCE	
NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3cc(Cl)cc(Br)c3O)SC2=S)cc1	2323686482	DTOSXILELGMSSM-UHFFFAOYSA-N	519.851	3.857	10	10	KHCE	
C[C@H](Oc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1)c1ccccc1	103621877	MHHAHZKCXLXQBH-SFINLLEVSA-N	503.584	3.695	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1	1864015817	WDLZFIMOGHFVHZ-MRXNPFEDSA-N	506.868	3.929	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@H]2c1ccc(O)c(O)c1	1864017621	QDHDSCJVPVFXJL-QFIPXVFZSA-N	522.602	3.616	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864023305	XTSDHXQLLPVHDV-LJQANCHMSA-N	548.518	3.622	10	10	KHCE	
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nn1	1867269711	COVKCZBJEYKYCW-JOCHJYFZSA-N	526.936	3.591	10	10	KHCE	
COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	2295934203	GTDBGZNIQONLQQ-UHFFFAOYSA-N	529.549	3.903	10	10	KHCE	
CC(C)CN1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC1=S	2296704053	MDUIFFFSLADYQB-UHFFFAOYSA-N	563.705	3.603	10	10	KHCE	
CN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O	100264296	JWNCJDATFAMCHR-ZSOIEALJSA-N	541.139	3.724	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OCC	103478158	AKWXTKDWDBTREK-VCHYOVAHSA-N	517.376	3.868	10	10	KHCE	
O=C(CCS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(C(=O)O)cc3)c(O)c12	159653559	DOLMRGXWFLSAJK-ZQHSETAFSA-N	663.664	3.955	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2	1864019012	UEWXZICUXQWJIC-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865029890	XUCCSWLDBFDKCL-AREMUKBSSA-N	526.593	3.671	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3c(F)cccc3Cl)CC2)cc1	1865144499	CATUBBXJSYYQTP-QFIPXVFZSA-N	511.985	3.573	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1	1868779180	FBFRLFDIKBGHFR-MHZLTWQESA-N	555.679	3.937	10	10	KHCE	
CCN(CC)CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870967095	KLKPFBHMTCFLEA-UHFFFAOYSA-N	521.662	3.687	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=N)N21	20206670	LPCHFDZKKCMTRD-OEMPCWLZSA-N	512.613	3.773	10	10	KHCE	
Cc1ccccc1OCCn1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	96459545	HXVDJWFARDGNPS-MRKXPFMVSA-N	507.597	3.650	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC	254625014	VGDZDZHGNFJTER-SANMLTNESA-N	535.666	3.662	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864011931	MZSUJQJFXRNELP-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031278	DGMNVVVGGTUYIJ-GGUMNFRJSA-N	539.592	3.676	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035261	POCIASLKAYOMET-YKSBVNFPSA-N	536.604	3.502	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCCN3CCCC3=O)CC2)cc1	1870609127	KKGWKLJLOBDVQF-UHFFFAOYSA-N	508.663	3.537	10	10	KHCE	
O=C1/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1Cl	2672268	CGNPMTXKLMAARE-IWHJNQCMSA-N	505.042	3.645	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2	1864008365	IXWVBEKVHHGODM-HXUWFJFHSA-N	513.392	3.821	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864016217	JSGFNGRTKHFNHU-XMMPIXPASA-N	543.599	3.521	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864018259	GXZCACYFCMNBSJ-VWLOTQADSA-N	544.583	3.934	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccc(F)cc2)=C(N)O3)cc1	1864021583	CXUDCAKATLABBK-QFIPXVFZSA-N	516.529	3.657	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865029697	TWHDYAFEMRSZSA-VWLOTQADSA-N	531.657	3.792	10	10	KHCE	
COCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870771391	HPZKSMLMJXKSHK-UHFFFAOYSA-N	521.658	3.982	10	10	KHCE	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C3SC(=S)N(C(C)C)C3=O)CC2)cc1	2296697878	VOHYNJHXHBWPDQ-UHFFFAOYSA-N	535.695	3.948	10	10	KHCE	
COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)c1	2297346448	GCSGNQWOGYGXSL-UHFFFAOYSA-N	529.644	3.759	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)OC	2313561186	YKMZZHSTKMNZQJ-UHFFFAOYSA-N	537.750	3.719	10	10	KHCE	
CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S	2314759627	DUHLLSSUHIUGQN-UHFFFAOYSA-N	508.662	3.877	10	10	KHCE	
CCN(CC)c1ccc(CN(C(=O)COc2ccc(I)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	101065499	WRSZTEYGIYEEQM-OAQYLSRUSA-N	556.466	3.732	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101266988	HLGDRNAFKWOPKC-BKAYVGFPSA-N	524.711	3.847	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110075198	VSJUYQRDEQYDAR-PGMHBOJBSA-N	576.704	3.655	10	10	KHCE	
CC1=NN(c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)C(=O)[C@@H]1/N=N/c1ccc(Nc2nc(F)nc(F)c2Cl)cc1	111492102	KXQHRWALALFEOE-NWKGHFSSSA-N	601.957	3.520	10	10	KHCE	
O=C(O[C@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1	195873753	VLFKNLZNDSEVBZ-YZOSZTTDSA-N	730.631	3.977	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(-c4ccccc4)cc3)SC2=S)cc1	210678976	BAJISAVLTAFBKS-KGENOOAVSA-N	509.634	3.841	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	1084022197	WPQOZGSKVPAVFB-JAIQZWGSSA-N	531.477	3.968	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864010393	MBOOUHXRERFBIK-QHCPKHFHSA-N	506.603	3.782	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864016809	XVUQDPYTMJTLSO-NYHFZMIOSA-N	532.984	3.796	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCOCC)[C@@H]2c1ccc(O)c(O)c1	1864017378	KVYWGYFGFNJGMV-JOCHJYFZSA-N	522.602	3.617	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865028153	QRNLIYUUBWEGEA-WZONZLPQSA-N	525.005	3.703	10	10	KHCE	
O=C(Cc1ccc2c(c1)OCCO2)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866607383	WMLUOOHOCXPLJH-SANMLTNESA-N	562.578	3.848	10	10	KHCE	
CSCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644593	HEUFCJKZBFUWFD-SVBPBHIXSA-N	539.746	3.906	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(CCc5c[nH]c6ccccc56)CC4)nc(C)n3)CC2)cc1	1869288349	MIKIMZGKROBVQP-UHFFFAOYSA-N	511.674	3.966	10	10	KHCE	
CCOCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870968082	XDQZCCVRRWJQNX-UHFFFAOYSA-N	508.619	3.772	10	10	KHCE	
O=C(COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO	1871261127	PFDOPUDJJMYBEB-UHFFFAOYSA-N	513.598	3.525	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(C)cc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2296851812	KWXBEACHVFUCDB-OAQYLSRUSA-N	544.720	3.811	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	2313631310	KGJCZYHETAMHFU-UHFFFAOYSA-N	529.553	3.501	10	10	KHCE	
COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	2314769381	PHCZVVHAILPOIM-JOCHJYFZSA-N	621.531	3.811	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)c2)C[C@@H](C)O1	101013840	UJRJQHPJFGECKN-AOUKMLRZSA-N	593.731	3.640	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC	1084271739	MREILJXRXNALHA-ZSOIEALJSA-N	510.259	3.504	10	10	KHCE	
CCc1cccc(C)c1N1C[C@H](C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	1862174448	OTVPLCPZGYXFJC-WVXBCFDCSA-N	520.674	3.553	10	10	KHCE	
COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864010798	WTZSFVYWDCSIDY-BZQUYTCOSA-N	543.580	3.576	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865031069	YFRANHVJRBQNSA-QHCPKHFHSA-N	539.032	3.626	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865033093	RMTSVNQILDPWDX-YADARESESA-N	518.614	3.612	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(N(C)C)cc1	1865077189	QLETWVXSKPODND-SANMLTNESA-N	530.673	3.720	10	10	KHCE	
CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)n2)C1	1868003707	TUSNKEVQYHSDLQ-JOCHJYFZSA-N	502.619	3.653	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](Cc3ccncc3)c3ccccc3)C(C)C)CC2)cc1	1868674270	XSNPZAWBUQFREP-VSGBNLITSA-N	500.643	3.906	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCCO)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1	1871727640	HPUWDKAALOKKSD-UHFFFAOYSA-N	513.646	3.522	10	10	KHCE	
O=C(/C=C/c1ccc(O)cc1)OC1=C(O)C(O)=C(CO)O[C]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	1615811151	GLNBTHPWSFDHRT-FPYGCLRLSA-N	589.485	3.686	10	10	KHCE	
Cc1cccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1	1865029057	FDBXTLPSWPOSCO-SANMLTNESA-N	531.657	3.606	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1	1867918667	KAEPIOFVPIDQFG-MUUNZHRXSA-N	585.705	3.994	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1	1871488216	QRNYKUHNLSXIRO-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1	1871618583	WZSZQSHURSZQJA-UHFFFAOYSA-N	504.683	3.852	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1	2296538505	SYNJIPMURYFXBA-UHFFFAOYSA-N	525.608	3.507	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	2314401426	YELZPWLIJRHIKH-QZTJIDSGSA-N	566.705	3.769	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1	1083951097	IICDYWAFBFFJCH-UITAMQMPSA-N	500.143	3.888	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	1615296208	POZIORVSEBDXTB-JDWIAOJESA-N	536.722	3.882	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865027020	DAWYHFSUPMTUJK-PEBXRYMYSA-N	545.423	3.824	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867490461	QUFVBZYOWHCKJA-SNKHRSMISA-N	639.753	3.506	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867519304	NFMVQGVWSAYZNL-VMPREFPWSA-N	623.820	3.580	10	10	KHCE	
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	2314399636	ALKDRLRORYUXSQ-HOTGVXAUSA-N	500.646	3.551	10	10	KHCE	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314507455	KBHPUYVUMKPSHT-KRWDZBQOSA-N	541.676	3.746	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc(OC)c1O	2314831960	WMNYZPPSOXSOFN-UHFFFAOYSA-N	524.661	3.932	10	10	KHCE	
CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O	33812611	PSCIHBLMALJHLZ-QJOMJCCJSA-N	521.712	3.634	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1	96459643	QNJXLESJKXUQPF-LANNQIRMSA-N	504.977	3.549	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110523109	BMVFOSCRWNBZEY-YPFLROGLSA-N	567.712	3.894	10	10	KHCE	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12	504699928	OQYASPNAHCBYHV-TXQUNOLYSA-N	508.530	3.986	10	10	KHCE	biogenic
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864007819	VVSZBCSVOHSMQW-SANMLTNESA-N	542.592	3.663	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015623	SZAMZGCZGHTRLM-SFHVURJKSA-N	518.492	3.540	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865035204	NZIVUPXQKAZAAB-NRFANRHFSA-N	547.439	3.747	10	10	KHCE	
CCN(CC)CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC	1875203086	IFZIUBNWEMGHRS-UHFFFAOYSA-N	507.683	3.956	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3cc(CN4C(=O)c5ccccc5C4=O)c(OC)cc3OC)C(=O)NC2=S)cc1	2296144925	MACYVQCATIQWOR-UHFFFAOYSA-N	571.611	3.730	10	10	KHCE	
CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)c1	2297468231	ZGHPGIJLVJTTFA-UHFFFAOYSA-N	505.556	3.755	10	10	KHCE	
CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NC(C)(C)C)[C@@H](/C=C/CO2)C1	100035291	DJAXIOCGDMUUPE-NOBCDRQISA-N	533.717	3.568	10	10	KHCE	
COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc(OC)c1OC	101445795	SRHOYSXLERARKH-JLPGSUDCSA-N	604.685	3.682	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12	102836112	XTFMMFUVCGJQMZ-LASGFXPTSA-N	536.635	3.724	10	10	KHCE	
COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526387300	BSUBXHVFVDDWLO-MHZLTWQESA-N	517.582	3.924	10	10	KHCE	
Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	1860826337	DLATWYJHSZTCJW-MSVBSMQLSA-N	509.609	3.723	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2	1864019497	KLNSSBBVNISNGD-XMMPIXPASA-N	546.624	3.651	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864021964	SFZXSLXDXUUDND-RUZDIDTESA-N	528.609	3.973	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC(N(C)C)CC2)[C@H]3c2ccc(O)c(O)c2)c1	1865026963	URSOELBTIAYKNT-SANMLTNESA-N	531.657	3.515	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865027021	DAWYHFSUPMTUJK-RCDICMHDSA-N	545.423	3.824	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)CC2)cc1	1868653080	HEJKIEUILJQVJP-VWLOTQADSA-N	552.697	3.796	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868937927	LNMGQGUJGRNTDS-HHHXNRCGSA-N	511.573	3.621	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873165658	SXBJUJRTXUPDRQ-UHFFFAOYSA-N	522.646	3.810	10	10	KHCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	2313682188	XFPCEUYRHGEXPS-UHFFFAOYSA-N	527.950	3.948	10	10	KHCE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778122	MAGVYSPTGJDNKX-MYYYXRDXSA-N	536.610	3.930	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	252667913	DOCCKRGDBKLDJK-HHHXNRCGSA-N	571.655	3.913	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526139231	IGMWAXCUGREMOU-RUZDIDTESA-N	505.596	3.943	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC(C)(C)C)c2C(=O)OC)cc1	1860763459	HCDHNJCXKQKAAM-UHFFFAOYSA-N	503.621	3.611	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1	1861910022	MKOPMCDPLYAZAX-RUZDIDTESA-N	520.561	3.741	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864010256	QOAIVJWGEQDAJF-HSZRJFAPSA-N	544.027	3.596	10	10	KHCE	
CCCOc1ccccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(CC)nn2C	1865451381	CSZHDKDBZVRLCC-VWLOTQADSA-N	531.657	3.823	10	10	KHCE	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1	1867493114	HYGKAUXZQIRZPZ-VEEOACQBSA-N	611.743	3.604	10	10	KHCE	
Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1	100850363	CAMUNFWPOTXNRT-AQRZYSDFSA-N	533.679	3.667	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864007514	OLGRXDLVJAHVBE-RUZDIDTESA-N	535.645	3.533	10	10	KHCE	
NC1=C(C(=O)NCc2cccnc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864015945	XNYHYWLSIVUSRF-IBGZPJMESA-N	523.471	3.708	10	10	KHCE	
CCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865031933	RPSLKDNGYZXOKN-VWLOTQADSA-N	537.620	3.809	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865032597	GRADRFJSEARYHW-QHCPKHFHSA-N	538.048	3.747	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865032705	IPGVLIBCIDRWOE-ZCCHDVMBSA-N	525.005	3.830	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865469770	YOECQMQKEMETGO-DEOSSOPVSA-N	546.628	3.816	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C(=O)O)cc1	1865493393	GQANCSDAIAJTLC-XMMPIXPASA-N	545.640	3.606	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc([N+](=O)[O-])cc1	1865649071	NAVGPITXJFMQDS-XMMPIXPASA-N	546.628	3.816	10	10	KHCE	
Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1	2297345376	QRXFPRHLZGECDF-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
COc1ccc(C=C2SC(N3CCN(C4=NC(=O)C(=Cc5ccc(OC)cc5)S4)CC3)=NC2=O)cc1	2297448245	VPUDXKWBIQYNHI-UHFFFAOYSA-N	520.636	3.962	10	10	KHCE	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)c1	20208747	TZYUFEIKVZJNHE-JNTYBJLZSA-N	514.585	3.771	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])c3ccco3)CC2)cc1	38598261	VIBQTJYGUORCNW-QFIPXVFZSA-N	510.547	3.507	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S	105469883	HWBLMSQAFBOYHP-UQQQWYQISA-N	607.758	3.682	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1	1864007485	NWWSRAMGZPQEPQ-VWLOTQADSA-N	512.566	3.654	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864010710	BAONYQWFLKXYJW-RUZDIDTESA-N	514.557	3.844	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864012490	AVYKIYITGWYPIH-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864012971	NEEJXFXJXKGBKZ-VWLOTQADSA-N	542.640	3.689	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865028705	YGJFVOAHJXKMCY-SANMLTNESA-N	548.640	3.846	10	10	KHCE	
O=C(CCCC(=O)c1ccc(Br)cc1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866797516	ILWXMLZCYXXOJL-JOCHJYFZSA-N	563.404	3.693	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(C)n(-c4ccccc4F)n3)CC2)cc1	1868986855	BSDQLWUTBCMODL-HSZRJFAPSA-N	525.650	3.529	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCCOc1ccccc1	2297346358	YUYRVEOZAXJMRV-UHFFFAOYSA-N	542.639	3.945	10	10	KHCE	
COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	2313560649	AWTOUACTCBVDAC-UHFFFAOYSA-N	510.138	3.895	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4cc(C)ccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	20609318	NUXLLOLITFSSKL-GTWFGUSFSA-N	512.635	3.721	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	105649835	REICCAGLMQGCLD-GAXZYENXSA-N	550.662	3.747	10	10	KHCE	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(sc(=Cc3ccc(N4CCOCC4)cc3)c2=O)=N1	1084128813	NQYMWXUADDVMRN-NDEPHWFRSA-N	554.647	3.850	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@H](CO)C2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031781	NZOPYJGCOIIBEC-YWZLYKJASA-N	544.530	3.536	10	10	KHCE	
CC[C@@](C)(NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868907678	OGSZUOWHBXUSHF-HHHXNRCGSA-N	507.660	3.780	10	10	KHCE	
Cc1nnc(NC(=O)COc2cn(C[C@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1	1871021954	SYRHBHUJLUIEBN-KRWDZBQOSA-N	520.615	3.762	10	10	KHCE	
COc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O[C@H](C)C(=O)O	2314933581	WFXZIHYIKNIBIC-OAHLLOKOSA-N	525.608	3.751	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C\c3c(N4CCSCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	2318665	ACTJKPLMVINNIW-XSFVSMFZSA-N	524.693	3.966	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	102824714	LMMJVNNLGPWRMJ-JZQBQCRLSA-N	508.625	3.695	10	10	KHCE	
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	110073361	LYLXKLNEGIQVNB-ZKFYFQMZSA-N	594.784	3.850	10	10	KHCE	
COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	1084169918	NTZUAYULRIYKEW-SDQBBNPISA-N	525.109	3.795	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2	1864019496	KLNSSBBVNISNGD-DEOSSOPVSA-N	546.624	3.651	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864020021	UKMUFVRGDWQBSC-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864020172	WRBYZCMQQLBPJS-XMMPIXPASA-N	511.582	3.619	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865027594	ZLXHUHUBFRTTTM-NRFANRHFSA-N	531.396	3.511	10	10	KHCE	
CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)C1	1865033177	UELLRBSAEBBJBZ-DVECYGJZSA-N	546.624	3.651	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4ccccc4)n3)CC2)cc1	1869202653	NPZZZVFQDQSVHP-UHFFFAOYSA-N	555.727	3.613	10	10	KHCE	
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O	2294244462	LYAMPKQTFHXUFF-UHFFFAOYSA-N	500.418	3.734	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	2313682542	FRHGGASFEKVNGK-UHFFFAOYSA-N	553.597	3.753	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2314838006	ZUNBVOPHUWWBEA-AWEZNQCLSA-N	503.671	3.860	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c([N+](=O)[O-])cc1OC	2291804	RFSXDSULVNWRNI-ODLFYWEKSA-N	512.569	3.816	10	10	KHCE	
COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)c(OC)c1	2533046	HTYHKXPPBCYQHY-QURGRASLSA-N	511.625	3.917	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCOC)C3=O)c3ccccc32)cc1	33694114	YSVBISMUMDGMEB-QURGRASLSA-N	511.625	3.679	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	150624682	HYLUSWAKLQMGOU-PRWBYUBPSA-N	715.351	3.779	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CC3CCCCC3)CC2)cc1	1862110604	UENKOYYHYASOLF-MUUNZHRXSA-N	521.658	3.967	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2	1864017358	KJNMJYIAPZDOKI-DEOSSOPVSA-N	540.576	3.644	10	10	KHCE	
CCOc1ccc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)cc1	1866286189	BKVPWIUGEBSJAY-AREMUKBSSA-N	503.647	3.963	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867801211	IRHXOQOINQQSER-NOZRDPDXSA-N	555.676	3.920	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867875258	WSIHFPGXLZYKCC-UZUQRXQVSA-N	502.015	3.776	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2)cc1	1868885063	KJOSDNNLRTYONH-GBXCKJPGSA-N	549.697	3.602	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)CC2)cc1	1869011279	RMBDPAGWKSPMCM-SANMLTNESA-N	548.709	3.663	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)n(C)n3)CC2)cc1	1869969055	BVDFKBFNAKLMQG-HNNXBMFYSA-N	505.406	3.863	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4cccc(C)c4)cn3CCCO)CC2)cc1	1870782462	SIVUWFNGZDUJPQ-UHFFFAOYSA-N	521.658	3.718	10	10	KHCE	
CC(=O)NCCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873162507	YUKMHCGTSIDJKM-UHFFFAOYSA-N	509.610	3.624	10	10	KHCE	
Cc1ccc(COc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Br)cc1	2297346260	QEVTTYQBJOEJHZ-UHFFFAOYSA-N	533.429	3.958	10	10	KHCE	
CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	100885877	VFALIJIWJZNQSE-XMHGGMMESA-N	532.651	3.638	10	10	KHCE	
N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	102481656	FSEJPJGBAJGQPC-UAJGQANVSA-N	542.621	3.588	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	1615296228	UYWATLZDBWSNON-UCZBCQCSSA-N	530.693	3.820	10	10	KHCE	
CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)[C@@H](Cc2ccc(N)cc2)CN(CC(=O)OC(C)(C)C)CC1	1848437635	VKRXEQDSGLUSBS-HKBQPEDESA-N	733.992	3.768	10	10	KHCE	in-vitro
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2	1857788052	DHYLGBJCEGEBGQ-VSRMDJHESA-N	746.674	3.511	10	10	KHCE	
CC[C@H](C(=O)OC1CCCCC1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826581	INKHUVDJLHCTDR-DVSFIDLUSA-N	502.614	3.734	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864010565	NSKVBJMNAIHIFO-XMMPIXPASA-N	519.646	3.697	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864013357	WOBAAHQTSLEWOR-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864013862	HRELSXGFYMOZNW-DEOSSOPVSA-N	530.629	3.977	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2	1865030818	RQDFHVICFRDVLE-JOCHJYFZSA-N	514.623	3.543	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@H]2c1ccc(O)c(O)c1	1865031473	HRSDXKBYWUHQKA-REWPJTCUSA-N	518.614	3.829	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1	1865034381	VLHVYKKIPGCHBW-QHCPKHFHSA-N	536.629	3.696	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2	1865034860	GMEUNRJMFHVIMJ-DEOSSOPVSA-N	535.620	3.695	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3cccnc3)CC2)cc1	1865387547	DUEIQDZFJVKSHP-MHZLTWQESA-N	536.636	3.687	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867360365	ZCPVTOUNCZEQMR-LOSJGSFVSA-N	527.691	3.856	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867833596	MGTPJTGFJBEQJB-SHQCIBLASA-N	540.621	3.811	10	10	KHCE	
CC(C)(C)OC(=O)N(CCC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccn1	1868150391	ZDXIJGYRPNODBZ-UHFFFAOYSA-N	542.592	3.739	10	10	KHCE	
CC(=O)NCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870849138	WNNCXLXOIKVRCI-UHFFFAOYSA-N	506.603	3.918	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1	1873170646	JUWMMHMYUUAFIR-UHFFFAOYSA-N	508.626	3.934	10	10	KHCE	
CCN(CCc1ccncc1)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC	1873545790	PTSNCAZLVWPNDS-UHFFFAOYSA-N	513.646	3.886	10	10	KHCE	
COCCn1c(C(=O)Nc2cccc(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873650267	OQCWENKEONKQRS-UHFFFAOYSA-N	500.603	3.974	10	10	KHCE	
C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S	2314837619	UYHCZHDBAMTLDI-LLVKDONJSA-N	501.424	3.506	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O	2314934809	KGLMZMDYVKSTLJ-UHFFFAOYSA-N	543.044	3.687	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864013696	ZBABJZCLKPAKJD-HSZRJFAPSA-N	541.048	3.922	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864018481	LYLYKINKDQVLKI-QHCPKHFHSA-N	524.593	3.670	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1	1864020744	GLDCPELNYATGLI-HSZRJFAPSA-N	534.613	3.843	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccc(O)cc3)CC2)cc1	1865110172	AYZBKHYPJXBKRW-HHHXNRCGSA-N	537.620	3.938	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865368407	QLRUEMUDIMKWLU-VWLOTQADSA-N	526.641	3.906	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1866852032	VMAGCBXUABESIL-HHHXNRCGSA-N	576.609	3.969	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867779102	CGBWYBRDZNSGSA-JIPXPUAJSA-N	536.677	3.723	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccc(O)cc4)n(-c4ccccc4)n3)CC2)cc1	1869970784	XSNIQWZCPWTBTH-FQEVSTJZSA-N	514.586	3.714	10	10	KHCE	
COc1ccc(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC	1873168759	IPCOQYJUDRVTBG-UHFFFAOYSA-N	525.609	3.947	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	100849986	VFPPUBGVBMCURD-PXLXIMEGSA-N	563.705	3.991	10	10	KHCE	
N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	102469163	ODSMYELMZXUJDP-QFOSJIQNSA-N	503.584	3.776	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CCC)[C@H]2c2ccc(O)c(O)c2)cc1	1864009300	DQCFDNOQAOIXQK-HSZRJFAPSA-N	520.586	3.591	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864011057	DGJTVHJKCAUIOX-QFIPXVFZSA-N	546.455	3.720	10	10	KHCE	
NC1=C(C(=O)N2CCCC[C@@H]2CCO)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1865031586	KHRFILGIQMHXRB-OXQOHEQNSA-N	544.530	3.760	10	10	KHCE	
CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1865037351	OCUMFXLUIDGKMR-RUZDIDTESA-N	542.592	3.715	10	10	KHCE	
CC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868591149	IWOIHCYGSHMWQE-RUZDIDTESA-N	522.671	3.825	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)CC2)cc1	1868987326	ZJDXUTDQQZAOEG-MHZLTWQESA-N	556.642	3.753	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)Cc3ccc(C)o3)CC2)cc1	1869045558	YOWTXVVHXAXQHV-AREMUKBSSA-N	507.656	3.906	10	10	KHCE	
COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	2293707261	SNCZSUBUYVYJMZ-UHFFFAOYSA-N	503.486	3.827	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1	2297346501	PZPVGEGLPVITQC-UHFFFAOYSA-N	540.623	3.870	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)c3ccco3)CC2)cc1	38637549	NZEYKBITKRUKTC-VWLOTQADSA-N	526.659	3.725	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S	101971480	ZVJFXLYWSIUTFP-QNKACBJSSA-N	516.453	3.869	10	10	KHCE	
CCOC(=O)C(=O)[C@H](C(=O)OCC)[C@H](c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O	105679461	MEITZJXJAUZFIH-IEBWSBKVSA-N	501.329	3.540	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864011612	WQRJADQCQNGBOM-DEOSSOPVSA-N	527.581	3.651	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864016985	BHVUANDEQURADF-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865032308	ABLAEQBOYPQNGU-RHGYRFJNSA-N	518.614	3.544	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	15044512	FJDCZAUSXPYQTC-HKWRFOASSA-N	519.670	3.743	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@H](O)COc2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1	40316954	LYUFMRAHQORSGT-YADHBBJMSA-N	525.509	3.724	10	10	KHCE	
CCOC(=O)/C=c1/s/c(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)c(=O)n1CC(=O)NCc1ccccc1	102924428	ZZROLDFNIYCHII-NLBIVNFASA-N	565.695	3.959	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	256043161	POZIORVSEBDXTB-ZZZCZUNSSA-N	536.722	3.882	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864017646	QUEPOMQJNIIQPH-DEOSSOPVSA-N	512.566	3.866	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2	1864018431	KZMDMZLNYOOMLO-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC(N(C)C)CC2)[C@@H]3c2ccc(O)c(O)c2)c1	1865026962	URSOELBTIAYKNT-AREMUKBSSA-N	531.657	3.515	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1865027280	XHJINSBMIXCNLK-SANMLTNESA-N	543.599	3.971	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865530374	MDZOFAFGEFSYJU-DEOSSOPVSA-N	517.630	3.613	10	10	KHCE	
CCCO[C@@H]1C[C@H]2C(=O)NC3(CCOc4ccc(C(F)(F)F)cc4S(=O)(=O)N2C1)CCN(Cc1ccccc1O)CC3	2080453816	UNCDEKKQKZOOCT-PKTZIBPZSA-N	611.683	3.903	10	10	KHCE	
CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	39990489	YRNNFIKVGYQFRN-MLLDNRILSA-N	502.662	3.597	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	102680263	FFPKXDLXMSTTFX-UDWIEESQSA-N	524.624	3.581	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S	102835907	YMSMALFMQBLILD-HZHRSRAPSA-N	563.705	3.665	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252669970	JDIIUSBKJMCEOS-AREMUKBSSA-N	557.628	3.823	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864009283	DISUBTXUHCMRIJ-XMMPIXPASA-N	501.587	3.794	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCCN2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864011510	IUCZMTGKXSWISJ-AREMUKBSSA-N	531.657	3.646	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864013706	ZCVRHSIFMWWWAL-DEOSSOPVSA-N	527.581	3.521	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864018534	NDXNJURVXFMDPI-RUZDIDTESA-N	544.583	3.934	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865030837	SBICRWBPVUKQFB-VWLOTQADSA-N	549.647	3.681	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865418237	TWWKATNOVBCQBN-XMMPIXPASA-N	516.646	3.549	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867508333	XSQMGZOVHPQGMC-SVBPBHIXSA-N	561.727	3.999	10	10	KHCE	
CC[C@H](C)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867584657	YIPRJVOHSKPYMF-IDISGSTGSA-N	561.727	3.999	10	10	KHCE	
CCN(CC)CCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873167420	GRNCIFRMHRRTMG-UHFFFAOYSA-N	505.707	3.981	10	10	KHCE	
CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1	1873421375	UQKITGNUXVEXKZ-UHFFFAOYSA-N	514.626	3.953	10	10	KHCE	
Cc1c(N2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	2314399981	GNZAITJMAYAIBX-QZTJIDSGSA-N	588.715	3.512	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4C)c([N+](=O)[O-])c3)CC2)cc1	3017454	LFNPECZZBGDTRD-UHFFFAOYSA-N	509.584	3.848	10	10	KHCE	
CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S	33812532	GYVLCENBJOKPAQ-KQWNVCNZSA-N	521.712	3.982	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccccc4OC)cc3)C(=O)N=C2S1	101398900	ZLGIOVRHNZAEFG-ONXBDCLISA-N	528.612	3.554	10	10	KHCE	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@@H](C)O1	229054207	VCVLUHHNFKQZQR-KTMBLSSYSA-N	551.694	3.869	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3Cl)c2O1	1864015090	JKEQYQHDGLJUOC-KRWDZBQOSA-N	520.895	3.988	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865026389	MVQGNNXOXIWNAT-YKSBVNFPSA-N	539.032	3.763	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@H](CO)C2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031779	NZOPYJGCOIIBEC-MGPUTAFESA-N	544.530	3.536	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5)cc4n3)CC2)cc1	1869004105	OCMSEAIEJLCBIF-HXUWFJFHSA-N	524.625	3.749	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cc(OC)cc(OC)c4)n(-c4ccccc4)n3)CC2)cc1	1869970027	LYWXPIBAGMSBJQ-UHFFFAOYSA-N	514.586	3.872	10	10	KHCE	
CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870365992	BAVJEJDYIZOCDE-MHZLTWQESA-N	506.647	3.586	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(C)cc1	2314832691	LQVRGDHAQXQDNS-JOCHJYFZSA-N	623.734	3.763	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)N=C2S1	20208501	MAZIZPLXKPGURY-NBDIUVDISA-N	502.961	3.571	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccccc3)nc12	105638783	QRRDPRSTQJALKY-BRYHAGSVSA-N	529.690	3.542	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	252675550	UIIOWDVPNXHSHN-RUZDIDTESA-N	505.640	3.653	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1	1862231987	HKFJHIDVEILRNX-QHCPKHFHSA-N	504.052	3.758	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864008288	HMVONQVAMSYVCQ-RUZDIDTESA-N	512.566	3.671	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865028151	QRNLIYUUBWEGEA-JPYJTQIMSA-N	525.005	3.703	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3F)CC1)[C@H]2c1ccc(O)c(O)c1	1865031186	AYGRESUXGPEGJQ-DEOSSOPVSA-N	541.583	3.681	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867630285	KEDBQUMBAAQRMV-DCMFLLSESA-N	653.780	3.896	10	10	KHCE	
COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1874642640	KDDUETIFIMBYSQ-MUUNZHRXSA-N	512.610	3.875	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C(=N)N21	2297345429	VZHPGHLIOPDFHP-UHFFFAOYSA-N	519.402	3.649	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1	2297468910	OXMNVYJRRRZBGE-UHFFFAOYSA-N	533.610	3.532	10	10	KHCE	
CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990088	CREHIHVQLOVBSN-CCRNYGKSSA-N	502.662	3.741	10	10	KHCE	
CN1C(=O)/C(=C\c2ccc(O/C(=C(/NC(=O)c3ccccc3)C(=O)NCCO)c3ccccc3)cc2)SC1=S	102860075	XUUSQHIJIYZBFF-HLCHKBGQSA-N	559.669	3.804	10	10	KHCE	
O=C1/C(=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)SC(=S)N1CCc1ccc(O)cc1	1081156803	HSILXKWTIVITOA-ZCXUNETKSA-N	502.664	3.815	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864016199	JMNJJZQDFNDHRT-XMMPIXPASA-N	536.592	3.818	10	10	KHCE	
CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)C1	1865033179	UELLRBSAEBBJBZ-YADARESESA-N	546.624	3.651	10	10	KHCE	
CC[C@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868893237	CKHBCAOEWLPEFG-ZCYQVOJMSA-N	563.724	3.992	10	10	KHCE	
COc1ccc(CN=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]c(=Nc3cccc(C)c3)[nH]2)cc1	1871652660	DEOWTMINFZHBDA-UHFFFAOYSA-N	511.630	3.723	10	10	KHCE	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C	2297345581	JLNOFFZRLFWWJI-UHFFFAOYSA-N	528.616	3.958	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=N)N21	2297345609	LPCHFDZKKCMTRD-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC	2340937	LKBNNNPZDXHSHV-PPRFWAEMSA-N	541.676	3.945	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S	15047580	ZUNBVOPHUWWBEA-QIQQCEGHSA-N	503.671	3.860	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4cccc(C)c4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	59447096	POELXYFXXRTRFA-CINCIDGWSA-N	512.635	3.721	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1	256038831	SPPPRXRMJPYRMV-GOTSBHOMSA-N	525.509	3.724	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864008664	PHCDFRHLZLSWLM-HSZRJFAPSA-N	526.037	3.788	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865026510	OUEUUZGSEUTFET-DXMSMQRWSA-N	506.578	3.989	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(C(C)C)cc3)CC2)cc1	1865153810	IKPHFAMMDVWMDY-RUZDIDTESA-N	501.631	3.904	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccs3)CC2)cc1	1865323666	HZOFPDQMSOLEBT-HSZRJFAPSA-N	507.660	3.961	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865384396	KLYDTVIFHWZLIV-AREMUKBSSA-N	536.636	3.882	10	10	KHCE	
COc1ccc(CCN2C[C@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1OC	1865927244	JNKFCRSIOBDDJT-RSXGOPAZSA-N	522.690	3.504	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc(O)c4cc(I)cc(F)c4n3)CC2)cc1	1866530633	HFLKCVUHHUEYPN-UHFFFAOYSA-N	507.303	3.655	10	10	KHCE	
CC(C)CN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867416677	DSCUKCNKINBBTJ-HHHXNRCGSA-N	561.727	3.856	10	10	KHCE	
CC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868770559	WQEWYMHSLDOKJN-QHCPKHFHSA-N	540.462	3.809	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1	1868779188	FGAFKJPIMBIRPJ-QHCPKHFHSA-N	523.703	3.742	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	2294204881	OETUITNROQBFTH-UHFFFAOYSA-N	523.954	3.975	10	10	KHCE	
CC(=O)O[C@H]1[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@H](COC(=O)c2ccc(C)cc2)[C@H]1N=[N+]=[N-]	2333127836	OITVYNLIELPNNX-QGKKGPLKSA-N	556.539	3.752	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)nc(OC)n1	6075661	BQCCUXZXLLDCSG-UYRXBGFRSA-N	528.978	3.667	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCCCC3)nc12	33452810	LFPQIWCBSNJXFZ-OBGWFSINSA-N	500.646	3.839	10	10	KHCE	
N=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103617791	NLXCMFONYVMNAU-XDXPSGJKSA-N	524.002	3.787	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252667688	DFVDCDRRDXVETI-QHCPKHFHSA-N	556.482	3.635	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2	1864014591	YZTNOSLYVPMTQR-QHCPKHFHSA-N	534.613	3.843	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864015513	ASXVAMRQZOMPLK-QHCPKHFHSA-N	512.566	3.871	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018703	AMTASNDOZHNUTI-QFIPXVFZSA-N	527.021	3.794	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864019100	GKLXAWMSONRJNQ-NRFANRHFSA-N	512.994	3.737	10	10	KHCE	
CC[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866878420	KRLHFICAHGYNDP-JJCDCTGGSA-N	509.562	3.739	10	10	KHCE	
CCCC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868617955	QGHPFUJBPIUPIQ-DEOSSOPVSA-N	533.629	3.504	10	10	KHCE	
CCCOC(=O)COc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870332964	UFOJJKXQPMKIFH-UHFFFAOYSA-N	523.605	3.699	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1	1871640658	JZICUOQCFVLDIR-RUZDIDTESA-N	517.678	3.683	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1c(C)cccc1C	2297345031	JPWSTGLVAYIFNY-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCc4ccccc4C3)nc12	2297497805	MNKGZVMURXKTHW-FQEVSTJZSA-N	518.664	3.946	10	10	KHCE	
CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C1=O	2313624179	OLGOQJKRJSNZAS-UHFFFAOYSA-N	526.343	3.693	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1	2149556	XYECHHHBJPLCGI-HZHRSRAPSA-N	518.522	3.837	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(Cl)c3)C(=O)N=C2S1	33356314	PJEALGDDKPCCEX-XCHRNCODSA-N	532.987	3.659	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864016054	ZGAWLKLTGJYTTH-IBGZPJMESA-N	532.519	3.847	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865030988	WIBJHTOTKMWLDX-IBVKSMDESA-N	546.668	3.837	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(C)cc4)[C@@H]3c3ccc[nH]3)CC2)cc1	1865592871	KARWAHNDQHALRI-MHZLTWQESA-N	538.652	3.928	10	10	KHCE	
CCOc1ccc(Nc2nc(=NCc3ccccn3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871532715	DUDRPONSOPGKIY-UHFFFAOYSA-N	512.618	3.778	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21	2297345924	ODWNZAQGAKLCNF-UHFFFAOYSA-N	513.557	3.574	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])c3ccco3)CC2)cc1	38606910	VIBQTJYGUORCNW-JOCHJYFZSA-N	510.547	3.507	10	10	KHCE	
CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O	110529181	BSGCOMFZMYZJSR-JLPGSUDCSA-N	551.738	3.990	10	10	KHCE	
C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N)=NC3=O)c2)C1	213225828	DFNJUGQNABZMRY-NIZGNDASSA-N	507.641	3.889	10	10	KHCE	
O=C(O)COc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I	1083936859	XJWZGSACJMXWJM-XGICHPGQSA-N	713.085	3.953	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2	1864013956	JWOUEWNTMXPEKL-DEOSSOPVSA-N	515.614	3.812	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2	1865033052	QOOPIUWBLANZJO-HSZRJFAPSA-N	504.587	3.952	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865316642	ASYUYVREOQVXAG-DEOSSOPVSA-N	505.619	3.747	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865610032	CLXROQUDPLAXNW-SANMLTNESA-N	538.652	3.874	10	10	KHCE	
CC[C@H](C)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867584659	YIPRJVOHSKPYMF-KDYSTLNUSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccn3)c3ccccc3)C(C)C)CC2)cc1	1868659056	DONAMVYDQKKAIN-IZLXSDGUSA-N	500.643	3.906	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1	1869009713	ICADZBSAMJJHGY-MHZLTWQESA-N	558.654	3.778	10	10	KHCE	
O=C(O)CCCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	2296063161	YYIFXLNGROFZMR-IBGZPJMESA-N	538.651	3.686	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4cccc(C)c4)cc3)C(=N)N21	20206734	CDCHXYBFKNZWOS-COGBYSKYSA-N	512.613	3.854	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252677536	ZAULZFKXBQTSRP-AREMUKBSSA-N	518.683	3.711	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)COc3cccc(C)c3C)CC2)cc1	1862192200	GEEAYWQZYQDKRF-HHHXNRCGSA-N	519.617	3.906	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864016412	OMUKXEQMHGNKAD-HJPURHCSSA-N	547.011	3.855	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864018164	DRPBQMFKZFKATI-RUZDIDTESA-N	536.592	3.776	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2	1864020976	JULQQUXJAYIIPG-AREMUKBSSA-N	545.684	3.988	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865028330	RZWXIYVOKXGHRC-MBSDFSHPSA-N	525.005	3.703	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865030206	FRIJBIASNHJERK-RUZDIDTESA-N	549.647	3.681	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865032463	CSWNWZHUFRAEBN-OFVILXPXSA-N	532.641	3.672	10	10	KHCE	
COc1cc2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c(OC)c1OC	1866458224	DOQFUKGVQDFRSW-QFIPXVFZSA-N	508.619	3.577	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1	1873170216	QZRCYCLKLKLWHM-UHFFFAOYSA-N	533.072	3.992	10	10	KHCE	
CCC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	2296663358	FBKCZIRZUACWRV-INIZCTEOSA-N	511.836	3.964	10	10	KHCE	
CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc(Br)ccc2O)N3)CC1	14460967	DSLODMQPFMEHQP-YZZKKUAISA-N	504.450	3.917	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3Br)c3ccco3)CC2)cc1	38637520	LSUAILQBXPEEIE-NRFANRHFSA-N	520.449	3.893	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@H]2c1ccc(O)c(O)c1	1865034058	ODJIDJBFZINAMK-FQEVSTJZSA-N	549.594	3.895	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(OC)c(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865137815	QAAWTPGIGDSTMP-RUZDIDTESA-N	547.656	3.622	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865590775	NUAIRLIHESAARO-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@H](c3cn(C)c4ccccc34)C2=O)n1	1869227086	OKWRBOBETBMYIN-SSEXGKCCSA-N	539.684	3.934	10	10	KHCE	
CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc1OC	2314760898	NAFUBGUPZIRFIL-UHFFFAOYSA-N	559.504	3.859	10	10	KHCE	
COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1	35638913	XSQDZLRMNUGCAU-WOJGMQOQSA-N	501.542	3.707	10	10	KHCE	
O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1	95619788	VLFKNLZNDSEVBZ-XVRZFRGKSA-N	730.631	3.977	10	10	KHCE	endogenous,in-man
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	102610015	NORPBBHVOCBJSA-RZMOPNSYSA-N	547.706	3.710	10	10	KHCE	
CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1	103873401	HTNQOOIBVFWVGW-UUYOSTAYSA-N	533.562	3.721	10	10	KHCE	
O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(NC(=O)CCN2CCCCC2)C1=O)Nc1ccccc1	110571331	ACPKQXUXHFVXMW-CJLVFECKSA-N	569.665	3.721	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864018601	OXWCHBGPFGUASM-QFIPXVFZSA-N	527.021	3.796	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864021818	HANBMZFZCXCEEH-IBGZPJMESA-N	539.599	3.902	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864023226	WDARSKAHWXKKHD-HSZRJFAPSA-N	528.565	3.798	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@@H](CO)C2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031240	CATCMWYWMMBKDA-KBMIEXCESA-N	538.604	3.876	10	10	KHCE	
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1	1867157497	YKOLEUZEUKFFMH-AREMUKBSSA-N	557.566	3.933	10	10	KHCE	
O=C(C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868180657	MREJNDDWBXMXCZ-SFHVURJKSA-N	502.328	3.898	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CCc3ccco3)CC2)cc1	1868586193	AAKCBFJTAXZKAI-SANMLTNESA-N	507.656	3.988	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(NCCCn4ccnc4)nc4ccccn4c3=O)SC2=S)cc1	2293034917	PFUIUFWBTOOKKU-UHFFFAOYSA-N	532.651	3.803	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	2296139218	ZYZGHMUUPSUHRD-UHFFFAOYSA-N	553.685	3.788	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296704074	NWGYSQZPKHUPNG-UHFFFAOYSA-N	579.748	3.966	10	10	KHCE	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	103873917	COHSFENEXDIMGM-XKZIYDEJSA-N	533.562	3.721	10	10	KHCE	
Cc1cccc(C)c1O[P@@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])[C@H](O)c1cccnc1	137787682	LRTYGGOWJQLVLF-AZRSXFLXSA-N	542.489	3.803	10	10	KHCE	
CCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1	1858625169	QNHZOPSXBJQEJT-UHFFFAOYSA-N	503.580	3.563	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864012147	SHTBFRMQHFBJOA-QHCPKHFHSA-N	520.586	3.905	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2	1864017069	DPOHSFBFMQPKGF-QHCPKHFHSA-N	504.587	3.998	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018617	PGVVGOYPZMKGJM-GCJKJVERSA-N	525.005	3.548	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@H]2c1ccc(O)c(O)c1	1865031472	HRSDXKBYWUHQKA-OFNKIYASSA-N	518.614	3.829	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1865034316	TVKNLBKMBXBUFU-FQEVSTJZSA-N	540.498	3.601	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865038362	VHTXSSUPFMTGTO-DEOSSOPVSA-N	514.582	3.535	10	10	KHCE	
CCCOc1cccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)c1	1865261692	QDCLZYVCPQMLCW-RUZDIDTESA-N	517.630	3.569	10	10	KHCE	
CCOC(=O)c1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1	1865926165	AZAPVJMLUUIZIX-ZEQKJWHPSA-N	506.647	3.626	10	10	KHCE	
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1	1867149298	MKVWNJUICDQRSV-DEOSSOPVSA-N	520.545	3.748	10	10	KHCE	
COc1cc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC	1867342521	HKLKNIGHJVKXAC-DQEYMECFSA-N	572.772	3.973	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CCc3ccco3)CC2)cc1	1868586191	AAKCBFJTAXZKAI-AREMUKBSSA-N	507.656	3.988	10	10	KHCE	
CC(C)(C)OC(=O)N1CCN(C(=O)CCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	1874017961	ZUDYQZRSUDISRY-UHFFFAOYSA-N	505.571	3.650	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccs1	2297345975	SXIPGOHTNGXMNQ-UHFFFAOYSA-N	532.625	3.766	10	10	KHCE	
COc1ccccc1OCCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	2297346007	VZINFLUPDXHMOQ-UHFFFAOYSA-N	542.639	3.943	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1	2297346084	BTRDZERGDUPGCZ-UHFFFAOYSA-N	520.434	3.868	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	105480610	KFDCTDOXMHKPEF-JCMHNJIXSA-N	579.704	3.691	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1	1862202373	JPAGVFRFLJZJAS-FQEVSTJZSA-N	510.443	3.631	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2	1864009674	KCNIIXINEIFQAD-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864016055	ZGAWLKLTGJYTTH-LJQANCHMSA-N	532.519	3.847	10	10	KHCE	
C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865034107	PIHUUYLCNUQTKR-QEEYODRMSA-N	544.530	3.692	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(O)c1	1865047690	GQORSWRUUNFCLE-FQEVSTJZSA-N	543.546	3.679	10	10	KHCE	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2CC	1865257415	SPZHMVJELKBQHD-VWLOTQADSA-N	547.656	3.671	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4F)[C@@H]3c3ccc[nH]3)CC2)cc1	1865598691	VPSDEHOUQOSYEP-SANMLTNESA-N	542.615	3.759	10	10	KHCE	
COc1ccc(CCN2C[C@@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1OC	1865927243	JNKFCRSIOBDDJT-AZGAKELHSA-N	522.690	3.504	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437347	FSLONKUOABIOLI-IZLXSDGUSA-N	593.794	3.952	10	10	KHCE	
CCCCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870393585	RCLVANZXZJTYFG-UHFFFAOYSA-N	518.658	3.674	10	10	KHCE	
CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870713411	FDEFGXFFVUMOSL-UHFFFAOYSA-N	511.022	3.870	10	10	KHCE	
CC(=O)NCCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873162173	IZMNUTQNARTVQW-UHFFFAOYSA-N	505.018	3.796	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1	2296070784	FHHDTELDVCYBJK-UHFFFAOYSA-N	503.584	3.906	10	10	KHCE	
O=C(O)CCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2296707745	FAHQYNKSVNZSNN-UHFFFAOYSA-N	534.663	3.830	10	10	KHCE	
CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	2313557729	KOOTUAYZDYVVMK-UHFFFAOYSA-N	664.165	3.643	10	10	KHCE	
Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314400403	LVQSHEUXPZQIDS-INIZCTEOSA-N	543.717	3.851	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1	2314842366	RZBFSFWQTNGZHN-QGZVFWFLSA-N	514.581	3.532	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	100850002	IDBGJPIMOWOKDJ-HAVVHWLPSA-N	593.731	3.734	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N(Cc4ccc(OC)cc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1	105683749	MBDKHHINLRGIPS-HZHRSRAPSA-N	537.711	3.600	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccco3)CC2)cc1	106209964	ALHDQTSQIOFKTQ-JOCHJYFZSA-N	532.519	3.805	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864013475	BVJBVQQOFLHKMJ-HSZRJFAPSA-N	506.603	3.922	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015112	JUHDKBWLHZWHQM-KRWDZBQOSA-N	504.465	3.532	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864016225	JWLCVXFPFJKDMW-QHCPKHFHSA-N	540.576	3.686	10	10	KHCE	
COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1	1864022939	SCZILQUKTKUBAW-XMMPIXPASA-N	540.576	3.941	10	10	KHCE	
CCC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866883449	AOGYAUYBWAQMOK-QFIPXVFZSA-N	539.009	3.813	10	10	KHCE	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2296139135	UYSNGBZFJCENHN-UHFFFAOYSA-N	590.386	3.929	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)cc1	2313510313	PCFIIMSKRNHJST-UHFFFAOYSA-N	574.112	3.576	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O	59816282	KGLMZMDYVKSTLJ-LDADJPATSA-N	543.044	3.687	10	10	KHCE	
CCC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	83333589	FBKCZIRZUACWRV-ONOODXEBSA-N	511.836	3.964	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc([N+](=O)[O-])cc1	104561720	KZONXIYMAYHFIT-PUYZJMEQSA-N	543.583	3.584	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864012919	MFGNIIZFKKKCMD-XMMPIXPASA-N	520.630	3.839	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865030087	BZMHBMBWURFUBJ-SRGWNRLKSA-N	536.604	3.765	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865045496	KOLVPSYJSLDXTD-DEOSSOPVSA-N	517.630	3.613	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1	1868716599	KMUKGZRVUPPNIZ-NDEPHWFRSA-N	561.679	3.817	10	10	KHCE	
CC[C@](C)(NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868919875	RVHQBBAVLFEJAH-NDEPHWFRSA-N	536.702	3.607	10	10	KHCE	
CCc1cccc2c(C=C3C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCC3)c12	2297508962	CJHSIHYGLZHPJX-UHFFFAOYSA-N	576.719	3.754	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1	2338676	NEUUVLPONBCYEE-ISPGYRLHSA-N	505.669	3.717	10	10	KHCE	
CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S	101740028	DNBJFOKRWJFJFG-CAZPATRMSA-N	540.663	3.820	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](C)O1	150411675	RDYXRPGVNWOQLW-RLCHVSRJSA-N	765.768	3.581	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	163727063	PIJHQWJFNVEZPQ-CVGPFBNFSA-N	633.508	3.573	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864009343	FTIZXSFBEWYJLX-QFIPXVFZSA-N	530.984	3.681	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864009905	MXTZQBRUSZITHM-XMMPIXPASA-N	516.602	3.579	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864014959	HBBJPGKQVHJNOY-LJQANCHMSA-N	548.518	3.547	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864017889	XTGQGTARXAFWDE-VWLOTQADSA-N	526.593	3.908	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865026908	SUMZMMMCFJAXQT-CSTKLKAISA-N	542.995	3.774	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865027302	GGUCEVJVKXJUQT-AREMUKBSSA-N	529.641	3.763	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865030857	SSAAAQMFSVSOSA-QFIPXVFZSA-N	545.011	3.623	10	10	KHCE	
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	2313559711	NSXHFZRCCAOHTN-UHFFFAOYSA-N	537.750	3.719	10	10	KHCE	
Cc1cc(=O)[nH]c(-n2c(C)nc3ccc(N4C(=O)/C(=C\c5ccccc5)N=C4c4ccccc4)cc3c2=O)n1	33306108	XGHHZLOLSGXAKG-PCLIKHOPSA-N	514.545	3.920	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=N)N21	96460354	NMRBZXMZTOFTFI-XJWHVNBWSA-N	519.004	3.939	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	1084008881	PPKZFPXETZHBLZ-DEOSSOPVSA-N	586.508	3.644	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2	1864009845	LNHXMYZHPYIVQQ-VIYRUNFYSA-N	513.598	3.767	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccc(C)cc2)=C(N)O3)cc1	1864023228	WDDJNGVVCSWXEC-DEOSSOPVSA-N	526.593	3.869	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030915	UPXXAWGCODQRSJ-QFIPXVFZSA-N	542.995	3.641	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865032022	TWRCNHVILXRORN-HSZRJFAPSA-N	517.630	3.619	10	10	KHCE	
CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865034529	YKYAKSZAULRQMD-SFHVURJKSA-N	515.492	3.650	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1	1867518654	MZYSFLVRDNKULQ-MUUNZHRXSA-N	553.663	3.626	10	10	KHCE	
CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	1868275918	YOQMLLUFPKZWTQ-UHFFFAOYSA-N	539.617	3.768	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868805860	UBRXCCONABICGU-JGCGQSQUSA-N	563.743	3.637	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccc(C)cc4)[nH]c(=NCCc4ccc(C)cc4)[nH]3)CC2)cc1	1871469220	UXFPOKLAOVQFEG-UHFFFAOYSA-N	537.712	3.977	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296940809	RZNYHFYDTXCMJB-UHFFFAOYSA-N	579.748	3.966	10	10	KHCE	
Cc1cccc(C)c1OCCn1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	2297346014	WOIXTBCRHABDPT-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
O=C1/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	100885686	KKXSBJHUKZZSJR-KYCFSCSMSA-N	580.757	3.542	10	10	KHCE	
COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	100962575	NFRGRPNPHYYLJV-UHFFFAOYSA-N	549.697	3.723	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc4nc(CC(C)C)[nH]c4c3)CC2)cc1	1862106778	HBEIMLHWKSWEAH-DEOSSOPVSA-N	507.660	3.634	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015215	MMKJFCGUSANLNM-LJQANCHMSA-N	542.470	3.915	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2	1864017068	DPOHSFBFMQPKGF-HSZRJFAPSA-N	504.587	3.998	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031599	KLBGEKIIJGYKCI-VWLOTQADSA-N	538.604	3.871	10	10	KHCE	
O=C(C[C@H]1CCCCO1)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867242904	FZHJGVRIYDZQEX-CJFMBICVSA-N	512.562	3.793	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1	1873170330	VTENNPOLNNHOJR-UHFFFAOYSA-N	519.045	3.949	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21	1875214602	AEGUTMHDEPZGIX-UHFFFAOYSA-N	591.738	3.504	10	10	KHCE	
CCc1nnc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)s1	2326954672	RQTUEOFPSZDRCO-UHFFFAOYSA-N	515.642	3.760	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)CCc3cc(OC)no3)CC2)cc1	9251222	ATDKDSRWPZEPSZ-UHFFFAOYSA-N	504.543	3.972	10	10	KHCE	
CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1	33630585	MAQXGJWCXYXZRE-VWDBNSKXSA-N	513.594	3.537	10	10	KHCE	
O=C(O)CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S	33709922	JLNRNDPZNJUALJ-FMQUCBEESA-N	516.000	3.762	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=N)N21	96460771	BPHKCBQHIUGNJA-JJJWLNEWSA-N	502.599	3.615	10	10	KHCE	
C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1	102841591	PCLJWEZUOYANNR-NWGMWSOJSA-N	527.649	3.952	10	10	KHCE	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c1C	103815280	RAFYGFOQVPWSIF-BOPFTXTBSA-N	544.383	3.640	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)cc1C	104559251	NWHPXBCLWFLFEI-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858676494	PUGBPQSBBXCMSS-UHFFFAOYSA-N	535.578	3.997	10	10	KHCE	
Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1	1858955825	SCVNREQBSDFPHI-UHFFFAOYSA-N	524.382	3.748	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864014660	ZRVNLGUSWDROFD-HSZRJFAPSA-N	506.603	3.922	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1864023223	VZRKKYAYJGLPGK-HXUWFJFHSA-N	540.498	3.913	10	10	KHCE	
CCC[C@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866925014	SRDGADVBXOWTFJ-QHCPKHFHSA-N	523.549	3.589	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800259	SDNMUQFQHMVBRJ-LITSAYRRSA-N	538.693	3.969	10	10	KHCE	
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867917435	IYNPAXOVHCHIPJ-DQEYMECFSA-N	512.720	3.956	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1	1868756111	VIRYSUMUPDRAFE-VWLOTQADSA-N	535.714	3.913	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868805861	UBRXCCONABICGU-YTTGMZPUSA-N	563.743	3.637	10	10	KHCE	
CCCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870659179	QYNWOTLNGVKVOR-MUUNZHRXSA-N	520.674	3.976	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1	1892056462	QJCVIZFKXLZOLK-VWLOTQADSA-N	514.047	3.587	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=N)N21	96460377	LPCHFDZKKCMTRD-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	101602641	MDBCIWYPEWNOHB-DZGUVLCISA-N	609.476	3.994	10	10	KHCE	
CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O	137707577	OAAFDCPZXJCORG-DUFWOXPPSA-N	552.678	3.792	10	10	KHCE	
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccccc4OC(F)F)c(=O)n32)cc1	254741295	WJDJWXPSQYEACQ-HSZRJFAPSA-N	527.593	3.856	10	10	KHCE	
CCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(N(C)C)cc3)N2N1	588225990	DWCFYLVGQAFQHW-OAQYLSRUSA-N	500.466	3.582	10	10	KHCE	
C[C@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(CO)cc1	1848439939	GGYJWDMIACSQCA-FRHGLMEDSA-N	895.027	3.877	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)sc(C)c1-c1ccc(Br)cc1	1860759090	SVIQHGSYCCVJLX-CQSZACIVSA-N	509.378	3.677	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864012430	ZSRBIJHBQJAJNE-RUZDIDTESA-N	514.557	3.844	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(OC)c1O	1865110270	CUDJDHFIQRXYLS-DEOSSOPVSA-N	547.656	3.622	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)cccc21	1866999360	FFNDATJABWMILC-XZOQPEGZSA-N	502.954	3.725	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)O)c(I)c3)C2=O)cc1	2294093854	XDZURLVJQIQCCJ-UHFFFAOYSA-N	646.175	3.588	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	2296311845	NORPBBHVOCBJSA-NRFANRHFSA-N	547.706	3.710	10	10	KHCE	
C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O	15045078	RCYZOCYBOPYKMN-SAIXKJTDSA-N	501.424	3.506	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	100880642	SECZHNAYXMOVQZ-OQKWZONESA-N	553.685	3.706	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	110556521	SQJCKKUDCNZSKL-HKOYGPOVSA-N	584.745	3.798	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC[C@H]2COc4ccccc4O2)[C@H]3c2ccc(O)c(O)c2)cc1	1864008024	AEIVBOWMTJVRSN-FNZWTVRRSA-N	540.576	3.551	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@H]2c1ccc(O)c(O)c1	1864010224	PVOIMHQEKPBPCB-DEOSSOPVSA-N	501.587	3.558	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2	1864014186	PDKMDRSBKYDPBB-MHECFPHRSA-N	534.613	3.554	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865030714	PHBBUVFDKRIZGG-RUZDIDTESA-N	548.640	3.628	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)c1	1865032272	ZSBDSWRGSHHEPH-RUZDIDTESA-N	537.620	3.850	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(C)cc3)ncnc21	1875227075	YLBPVLBREFAYEU-UHFFFAOYSA-N	514.630	3.969	10	10	KHCE	
COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1	1892240896	ZLXQUXJCEUIJHY-GRYUFTJMSA-N	526.659	3.713	10	10	KHCE	
CN1C(=O)C(=c2sc(=CC=C3SC(c4ccccc4)=C(c4ccccc4)N3C)c(=O)n2C)SC1=S	2297452927	RCMZGUDSBCKYSK-UHFFFAOYSA-N	535.741	3.872	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O	2297460324	HZVMHPVWEDNUGM-UHFFFAOYSA-N	510.641	3.943	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccccc1Cl	104559621	DZPDOXJLVLDVSZ-VUYJYGDXSA-N	532.987	3.579	10	10	KHCE	
C[C@H]1NC(=O)C2(CCCCc3ccccc3OCCNC1=O)CCN(Cc1ccc(N3CCOCC3)c(F)c1)CC2	1615071824	SMORTFLUOXZCPD-XMMPIXPASA-N	566.718	3.671	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC3)ccc21	1860598122	UOROIYVHCRWWPL-UHFFFAOYSA-N	528.477	3.769	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C)s2)sc(C)c1-c1ccc(Br)cc1	1860766405	XYVHZAMYTZWRHC-UHFFFAOYSA-N	509.407	3.822	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865027589	JSCVMOQSCPVGOX-HXOBKFHXSA-N	525.005	3.703	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865030931	VLYFTSCUASBEST-CVDCTZTESA-N	539.032	3.626	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865032464	CSWNWZHUFRAEBN-PXDATVDWSA-N	532.641	3.672	10	10	KHCE	
O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	2314397331	BLNJPSLPAGZECU-UHFFFAOYSA-N	525.377	3.892	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1	101397596	VYYUNXLLEPCLOB-SVBOREBNSA-N	549.030	3.818	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	110557613	XQXLCZNJYQQTTH-OLCUMFGGSA-N	616.812	3.958	10	10	KHCE	
CC(=O)OC[C@H]1O[C@@H](Oc2cn(C(C)=O)c3ccc(Br)c(Cl)c23)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	1848441317	BPSRGACEWSOJQT-RECXWPGBSA-N	601.794	3.926	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2CCO)[C@H]3c2ccc(O)c(O)c2)c1	1865027270	XDARKLAMMQHZMO-NVQXNPDNSA-N	532.641	3.726	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865028150	QRNLIYUUBWEGEA-FDDCHVKYSA-N	525.005	3.703	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3ccc[nH]3)CC2)cc1	1865594245	VRYUUVATEQKVNB-SANMLTNESA-N	524.625	3.620	10	10	KHCE	
Cc1noc2c1C(=O)NC1(CCN(Cc3ccccc3O)CC1)CC(=O)NCC[C@H]1CN(C(=O)OCc3ccccc3)CC[C@H]1CC(=O)NC2	2080496613	UXRFKMRNBWGAHK-NSOVKSMOSA-N	686.810	3.644	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2296541965	YKQHFYJQDCCGFI-LJQANCHMSA-N	539.660	3.699	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	2297346263	QHRJICMHUSSBKK-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2297510215	KYUIGVWXFNFENU-UHFFFAOYSA-N	513.550	3.844	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1	20235157	RDQRNRZNJHKFPM-PLWGRFDCSA-N	523.571	3.759	10	10	KHCE	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	210654908	CKEYGXSNCUOZMS-IOVUBPJKSA-N	511.650	3.936	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	252675551	UIIOWDVPNXHSHN-VWLOTQADSA-N	505.640	3.653	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2	1865030521	LOAMKRDLDDCSLI-QHCPKHFHSA-N	528.650	3.789	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865034767	DDQQACASGOGMJJ-MWTRTKDXSA-N	506.578	3.997	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865089173	GZZGRNQQPXRFLK-QFIPXVFZSA-N	508.022	3.688	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)C(C)C)CC2)cc1	1868742581	NSRCXFUVTUHYSG-MHZLTWQESA-N	543.730	3.646	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@@H](c3cn(C)c4ccccc34)C2=O)n1	1869134399	GPERUMLFPFRIJO-LJAQVGFWSA-N	525.657	3.543	10	10	KHCE	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	2313785170	YGALYBGDLUDQPY-UHFFFAOYSA-N	521.618	3.778	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@@]3(OC(=O)c4c(C(=O)NCCCN=[N+]=[N-])cccc43)[C@H]2C=C1	2333074730	UJIRBDGHKAQZRJ-GTFGCAHESA-N	514.586	3.989	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2OC)c1	104557932	OWBQULMAOCWFBC-ADKREUBMSA-N	542.639	3.645	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(CC(C)C)n(-c4cccc(Cl)c4)n3)CC2)cc1	1861885766	XONJZXSBJGGVLG-UHFFFAOYSA-N	510.038	3.811	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1	1862271105	IPPXGPOPLVEFGD-HSZRJFAPSA-N	515.507	3.942	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864014314	RTVZQCMTIGPLNK-DEOSSOPVSA-N	534.661	3.564	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865031570	JYHUOZPQOPLVAA-DEOSSOPVSA-N	526.593	3.794	10	10	KHCE	
CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1868019183	NHOXOCBCKQTQPC-IZZNHLLZSA-N	534.657	3.805	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc(N4CCCC4=O)c3)c3ccccc3)CC2)cc1	1868613234	RLTSPYRYLYJFJL-MUUNZHRXSA-N	512.610	3.642	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4OC)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970647	VCVZKYMEOYQBAB-UHFFFAOYSA-N	514.586	3.872	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4OC)n(-c4ccccc4)n3)CC2)cc1	1869970960	VGGVIXKIWBIGMZ-UHFFFAOYSA-N	514.586	3.629	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4cccc(C)c4)cn3CCN(C)C)CC2)cc1	1870772100	FVFYLSXQQWJRFM-UHFFFAOYSA-N	520.674	3.507	10	10	KHCE	
COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O	1873421426	XDBDBSFKRQKBSN-UHFFFAOYSA-N	503.559	3.765	10	10	KHCE	
COc1ccc(N2CCN(c3nc(N4CCC(C(N)=O)CC4)c4cnn(-c5ccc(Cl)cc5)c4n3)CC2)cc1	1873486411	ONGFYEKRHZCGLS-UHFFFAOYSA-N	547.063	3.506	10	10	KHCE	
CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)CC1	2314476256	LQULWGFNSOPYGO-UHFFFAOYSA-N	635.768	3.806	10	10	KHCE	
Cc1ccc(C(=CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	2329611994	FVSWSNFELMDTOH-AREMUKBSSA-N	508.574	3.988	10	10	KHCE	
CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1	4761868	LQWXIQDIMFHSEZ-HHHXNRCGSA-N	567.756	3.843	10	10	KHCE	
COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2OC)cc1	102678084	RWXYNSKDBYOZHV-RPLGGEPRSA-N	545.660	3.711	10	10	KHCE	
COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	103061842	MGJWXEPSHFARNQ-UHFFFAOYSA-N	537.686	3.627	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1cccs1	104559687	TULPLBIHDISDOM-BYCXBGHRSA-N	539.016	3.641	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	150650655	UKOLQVJGMHCRQI-MRCZTLKWSA-N	715.351	3.779	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1	526389405	QXELJBNMYKJIRV-HHHXNRCGSA-N	517.582	3.924	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1	1862173083	ZYSQENWGVUASLC-VWLOTQADSA-N	509.647	3.720	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864019113	GOJMQIUPBVQPRC-JTSKRJEESA-N	525.005	3.548	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865028994	CXFOVIVVDHAMPJ-HHHXNRCGSA-N	539.636	3.992	10	10	KHCE	
CCCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1	1865237731	GTMYXLVFFFBZFI-SANMLTNESA-N	531.657	3.959	10	10	KHCE	
CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867830698	BYQIIBXTHCYWQA-DQEYMECFSA-N	540.621	3.811	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	1873165523	MPUVBMKKOYUDLU-UHFFFAOYSA-N	510.642	3.834	10	10	KHCE	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	2221199	KZWBLHDEBPMJQA-LJZSXMKHSA-N	522.944	3.956	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	33387063	QPEXLSLTZRYYBU-GNFOSXPUSA-N	507.685	3.670	10	10	KHCE	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1	103806064	HMJLSWPKDYJHRR-GETUCHRZSA-N	603.663	3.582	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252669971	JDIIUSBKJMCEOS-SANMLTNESA-N	557.628	3.823	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCc3ccc(O)cc3)c2C(=O)OC)cc1	1860763451	GMTPHQUAYXYCPX-UHFFFAOYSA-N	567.664	3.760	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865031581	KFLVMBNIAQBRKS-XMMPIXPASA-N	526.593	3.545	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867278438	ILZLOZHVEONASQ-XCZPVHLTSA-N	532.600	3.826	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867612860	OAPZWDGZOWGEGZ-ACHIHNKUSA-N	649.814	3.734	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCNc3ccccc3OC)CC2)cc1	1868798062	IYYJWIQZCKFAAO-MHZLTWQESA-N	516.642	3.582	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	1868904371	VTVPUPACGGXOHF-OCBJUFRSSA-N	541.648	3.800	10	10	KHCE	
COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S	1809814	IQFNFTYABSDVHB-FMQUCBEESA-N	502.017	3.933	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	20207821	KPEBXJMPRDAIEA-JNCKMBBWSA-N	507.597	3.732	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	34877606	XWTIQIBHACHKLR-DDNKWHRWSA-N	522.652	3.738	10	10	KHCE	
COc1ccc(C(=O)N/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc1	104810622	JYKOHNQZMPJCOU-XIEYBQDHSA-N	544.633	3.665	10	10	KHCE	
CC1(C)C(/C=C/C=C2/N(CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCCC(=O)NCCN2C(=O)C=CC2=O)c2ccc(S(=O)(=O)O)cc21	150345622	RXYRSHFTVJDCIT-UHFFFAOYSA-O	962.137	3.997	10	10	KHCE	in-vitro
CCCCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858662630	UVGQTWCHXNQPTD-UHFFFAOYSA-N	519.579	3.779	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccc(Cl)nn3)CC2)cc1	1869058711	NFYBVKUTVUJELW-QHCPKHFHSA-N	526.062	3.519	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1	1869062400	HCKLZEVJRGCULN-QHCPKHFHSA-N	507.660	3.594	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(-c4ccccc4)n3)CC2)cc1	1869196352	ZUXCTIHXAMKRAL-VWLOTQADSA-N	539.640	3.805	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1	1871588420	FAGHDNKMVBWFAN-UHFFFAOYSA-N	516.650	3.503	10	10	KHCE	
COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	2294095696	YYOCZVNTNJUTHZ-UHFFFAOYSA-N	521.751	3.938	10	10	KHCE	
COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1	2297345762	ZKWQTIWHHKAONX-UHFFFAOYSA-N	526.596	3.562	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1[N+](=O)[O-]	2297345818	FVOLPZAUDPCREG-UHFFFAOYSA-N	543.583	3.582	10	10	KHCE	
CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	100886167	RCTWOUFFXSOEQO-CIAFOILYSA-N	538.651	3.972	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4)c(Br)c3)C(=O)N=C2S1	101399191	RSUJAARHIZADKM-CARHRNCISA-N	547.412	3.680	10	10	KHCE	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	110391392	MBKMJIPDXDJXGY-BKUYFWCQSA-N	538.651	3.972	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	1084090452	AZHSOVWIAVBYEQ-LSCVHKIXSA-N	567.913	3.900	10	10	KHCE	
COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864008022	ABRMUQNSJQXVLR-RUZDIDTESA-N	540.576	3.698	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864016317	MEPLEJRLFGHGHS-QHCPKHFHSA-N	530.556	3.606	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864023253	WKCFJWBDEVGIRQ-XMMPIXPASA-N	542.592	3.806	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1	2294229297	HPSSTVJPWAENTK-UHFFFAOYSA-N	516.623	3.771	10	10	KHCE	
O=C(O)COc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I	2313561163	XJWZGSACJMXWJM-UHFFFAOYSA-N	713.085	3.953	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(OCC(=O)N(CC)CC)cc3)SC2=S)CC1	2323858444	XIWYJKBRJQNDFT-UHFFFAOYSA-N	505.662	3.756	10	10	KHCE	
C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@@H](C)O1	101013206	WOLYEVZDZNCMBT-AOUKMLRZSA-N	593.731	3.640	10	10	KHCE	
COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864010799	WTZSFVYWDCSIDY-MQNRADLISA-N	543.580	3.576	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864014343	SJXOVQPOGUGYFW-QHCPKHFHSA-N	516.602	3.587	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865031033	XNHWNNXOHKCXAG-VWLOTQADSA-N	526.593	3.943	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865034595	ABPYQPACLGKNDX-MWTRTKDXSA-N	506.578	3.997	10	10	KHCE	
CCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868640063	BVQDKXLPWYFIBS-DEOSSOPVSA-N	508.594	3.974	10	10	KHCE	
CCOC(=O)COc1cn(CCCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871148618	UJMCHXRXOHLYTC-UHFFFAOYSA-N	520.630	3.868	10	10	KHCE	
CCN(CC)CCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C	1875209102	ARLGJBUQRUZLES-UHFFFAOYSA-N	507.683	3.812	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N21	2297345935	OZQBFCOEBNBZAO-UHFFFAOYSA-N	506.949	3.552	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1I	2297507781	RXTVVASYGQLVEI-UHFFFAOYSA-N	555.371	3.805	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1	2297580207	BVKLREPTKLZSJP-FCHUYYIVSA-N	553.706	3.539	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)c1	2313556664	HTXUSFULXSPNTR-UHFFFAOYSA-N	503.305	3.642	10	10	KHCE	
O=C1/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	34258743	PEOKEUZNKCCIOH-XSFVSMFZSA-N	520.615	3.934	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccc(OC)c(OC)c2)SC1=S	143271344	MBPGMWRVKWHGJW-HAHDFKILSA-N	556.710	3.865	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	575417703	RDYXRPGVNWOQLW-PYDDMYSGSA-N	765.768	3.581	10	10	KHCE	
CC(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1	1858625829	JHLYHGKULLQGHV-UHFFFAOYSA-N	533.606	3.788	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5ccccc5OC)[nH]c4c3)CC2)cc1	1862080480	WTOODLAGELRMDZ-IBGZPJMESA-N	513.598	3.714	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCCOc3ccccc3)CC2)cc1	1862221596	PLBCIMPMLSYZSZ-NDEPHWFRSA-N	501.627	3.931	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864012398	ZCYUNJIELVTVEJ-RUZDIDTESA-N	532.547	3.983	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012964	MZSOWCYVZVCYBJ-RUZDIDTESA-N	534.657	3.885	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864015170	LDCAVTURNGDNAO-JOCHJYFZSA-N	506.603	3.855	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccc(Br)c3)CC2)cc1	1865101191	CXSBAURQBAMKIE-QFIPXVFZSA-N	538.446	3.543	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865408263	YMZUMOSTEMOIDR-VWLOTQADSA-N	530.673	3.939	10	10	KHCE	
COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)cc1	1865879221	UPOFERKJWHBERM-AREMUKBSSA-N	523.593	3.810	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccco3)ncnc21	1875220924	QWGDSCIXWHIMDK-UHFFFAOYSA-N	504.591	3.644	10	10	KHCE	
CCN(CC)c1ccc(CN(CCOC)C(=O)COC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1	103418353	QZQCYRYVBUPLQV-UHFFFAOYSA-N	532.581	3.941	10	10	KHCE	
Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	105642845	NDSWIZOMZMENOU-QNGOZBTKSA-N	558.689	3.807	10	10	KHCE	
O=C1/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	109966386	HVUUQUPHPVNUJG-ZSYKKXJESA-N	551.669	3.540	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C3CCN(Cc4ccccc4Cl)CC3)CC2)cc1	1861974123	GMNKJHYFCCKLBM-UHFFFAOYSA-N	513.082	3.804	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011851	ZDWFKGLQRDGZDU-OPAMFIHVSA-N	525.005	3.879	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864012796	JGNFYFQLNKUMPU-RUZDIDTESA-N	541.608	3.693	10	10	KHCE	
COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	2296056350	IGJLPKRIXHKINO-UHFFFAOYSA-N	533.610	3.785	10	10	KHCE	
Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	2314413634	CTBRXKHPAWJWOC-HXUWFJFHSA-N	588.715	3.797	10	10	KHCE	
O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O	39861772	NAAVCFHTRUOQRS-YPKPFQOOSA-N	505.327	3.574	10	10	KHCE	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)c1	101399678	GCSGNQWOGYGXSL-SMESXNLSSA-N	529.644	3.759	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)CC2)cc1	102835825	FOBWUPJWOLPFMK-FCDQGJHFSA-N	593.731	3.876	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C\[C@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	102857586	IYBLIKVKNQMLRQ-YCPFAOKUSA-N	516.000	3.628	10	10	KHCE	
C[C@@H](Oc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1)c1ccccc1	138103898	MHHAHZKCXLXQBH-DNAGRWJJSA-N	503.584	3.695	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864007109	GGLQWBNXYKWBGM-HXUWFJFHSA-N	519.385	3.746	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864008833	SXLBTKSGHGSXOE-VWLOTQADSA-N	512.566	3.541	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2	1864009711	KRLZFLCRSYWVNA-QHCPKHFHSA-N	517.973	3.694	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864010085	OXDBFBFVPMZOHS-VWLOTQADSA-N	522.565	3.522	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@H](C)O)[C@H]3c2ccc(O)c(O)c2)cc1	1864016727	WJXJQJCUWITIGO-UUOWRZLLSA-N	526.593	3.510	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865032599	GTFJPLHWXITIFJ-VWLOTQADSA-N	540.576	3.975	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865534299	LQXRAPZSJHFMFH-VWLOTQADSA-N	531.657	3.859	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868625717	AQTUHARQJMXANK-VWLOTQADSA-N	577.147	3.916	10	10	KHCE	
CCCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868815980	SKHNQUTVIAKDHC-AREMUKBSSA-N	504.631	3.824	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCSc3nnc(-c4ccccc4)n3C)CC2)cc1	1868912910	IFABSPZODTWGGJ-XMMPIXPASA-N	568.769	3.560	10	10	KHCE	
COc1ccc(CCN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873165092	BIKRHPAOJDBGOF-UHFFFAOYSA-N	500.643	3.967	10	10	KHCE	
CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	2285070403	ZZLXVQGOHWKBMS-JOCHJYFZSA-N	504.539	3.527	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc(Br)c1OS(C)(=O)=O	2297345107	RFKSWEIXAAOSKD-UHFFFAOYSA-N	547.478	3.762	10	10	KHCE	
CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]21	248380614	QQYFXVRSFQQXMY-XABUNHPASA-N	529.387	3.677	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccc(F)cc3)CC2)cc1	1861951387	XLUPHHJWKSSMGK-GFUFCRMCSA-N	503.574	3.629	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864012601	DTGNSMVSHQABDZ-WZONZLPQSA-N	539.032	3.938	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793527	UJDYXXNAOZWDNN-QCENPCRXSA-N	580.730	3.739	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868597420	YDFCAGCGFIPTQC-RUZDIDTESA-N	522.671	3.907	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1	1868904369	VTVPUPACGGXOHF-JBOQNHBVSA-N	541.648	3.800	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869032967	LDUTUFDQROZVKG-RBISFHTESA-N	527.621	3.537	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=NCc4ccccc4C)[nH]3)CC2)cc1	1871468537	FCSJAZBVXLJFFZ-UHFFFAOYSA-N	509.658	3.892	10	10	KHCE	
CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	2296643181	DEWVEOAKBDJTOB-UHFFFAOYSA-N	504.616	3.525	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2297060203	IMDCCYCMKMXIMB-UHFFFAOYSA-N	511.559	3.631	10	10	KHCE	
CCN(CC)c1ccc(C=C2SC(=O)N(CCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	2297512148	VIJRKWAYHPZQSF-FQEVSTJZSA-N	506.628	3.738	10	10	KHCE	
O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NCc1ccco1	2297552091	ZSNFIIOQVHHLJV-UHFFFAOYSA-N	502.914	3.871	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N	33812137	FSFYVQDUVCXFOP-ISXXMWLLSA-N	522.652	3.932	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1	59303363	LOESKNDOCAFDLV-XKZIYDEJSA-N	517.494	3.556	10	10	KHCE	
CN(C)S(=O)(=O)n1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCc3ccccc32)c2ccccc21	96498086	YHFBLIUNGAHYNF-HKOYGPOVSA-N	514.607	3.656	10	10	KHCE	
COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	103255480	JGTTXDLZURSXLC-RCCKNPSSSA-N	520.567	3.692	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1	207324928	PUKIXHKQUGMJQJ-DYGKOUCMSA-N	520.723	3.864	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]23)c1O	248135643	ZOOOSUVDRQBLRO-XZSZPMDUSA-N	525.561	3.707	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	256024883	JINZDXVURDZMCG-KFGTWWPDSA-N	658.849	3.726	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(-n3cncn3)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	504123480	OAAMAKLQLWLYQF-GZNUUUAQSA-N	648.592	3.668	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC[C@@H]2CCCO2)=C(N)O3)cc1	1864017813	VVEWWAGMXDWAEL-NZQKXSOJSA-N	534.613	3.616	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864021560	PUSJASBDMNCVCH-HSZRJFAPSA-N	516.602	3.587	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865029530	PKURITPNRKVDEC-HSZRJFAPSA-N	539.032	3.815	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2	1865030648	NYZPXNWIELNATL-NRFANRHFSA-N	547.439	3.747	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1865031383	FRJWPVIPZKMDDA-QHCPKHFHSA-N	534.613	3.724	10	10	KHCE	
CCCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3C)c1	1865267746	ZPSOKFWBIOOETG-VWLOTQADSA-N	531.657	3.823	10	10	KHCE	
CSCC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866885445	MHKXBEFGCXHOTB-QFIPXVFZSA-N	571.076	3.766	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296167035	OQYXKCRVRIWMKU-UHFFFAOYSA-N	553.685	3.706	10	10	KHCE	
N=C1C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12	2297345821	GESWQCPUSCNEAY-UHFFFAOYSA-N	520.548	3.836	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC	2313558742	IPFCMTSALRTIHY-UHFFFAOYSA-N	524.286	3.894	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1	2313623715	AILDCEDATCOVBJ-UHFFFAOYSA-N	514.582	3.996	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1	2314842433	VEWUTNWYCSOEHX-MRXNPFEDSA-N	534.999	3.795	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(NCCc3ccccc3)nc12	33735552	MLCZHACZMUUMPG-XDJHFCHBSA-N	508.625	3.724	10	10	KHCE	
CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	39990491	YRNNFIKVGYQFRN-ROUUFQIDSA-N	502.662	3.597	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc4ccccc4n3C)CC2)cc1	1862073344	HYHSGDLYHGXVGG-SANMLTNESA-N	512.610	3.582	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864015958	GXXQLAPNHDWPML-XMMPIXPASA-N	544.583	3.996	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1	1864023167	UXJODOCVKAUFBE-SFHVURJKSA-N	502.493	3.695	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3Cl)CC1)[C@H]2c1ccc(O)c(O)c1	1865034223	RQXOWCIHANHPED-SFHVURJKSA-N	549.937	3.547	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccco1	1865312088	LUXHFLBWJQBIGK-GOSISDBHSA-N	517.508	3.567	10	10	KHCE	
COc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC	1867308130	FNJGUNYRBRPCOR-RPBOFIJWSA-N	542.746	3.965	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868889942	JKKTVBQSGYOKFV-VMPREFPWSA-N	553.663	3.985	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(C)n5C)CC4)nc(-c4ccccc4C)n3)CC2)cc1	1869147219	ZHEJROXAJAVWAQ-UHFFFAOYSA-N	539.688	3.551	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCCC(C)C)cn3Cc3ccco3)CC2)cc1	1870579696	NNTHQZPJFXUAPJ-UHFFFAOYSA-N	523.630	3.789	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1	1871663178	VAJSENSKPOPITD-QFIPXVFZSA-N	510.042	3.925	10	10	KHCE	
COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	2314486756	CFCYLODNBQPNEQ-HOTGVXAUSA-N	502.614	3.704	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864012680	GNSPVRRIMIYPKF-HSZRJFAPSA-N	524.593	3.670	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865029126	GOKDWBQSDHXEQJ-RUZDIDTESA-N	531.657	3.542	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)CC1	1865033314	WWBRSGUIQYXHRL-HSZRJFAPSA-N	538.048	3.748	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3cccc(O)c3)CC2)cc1	1865042388	VQGIXAJPXJEEOM-HHHXNRCGSA-N	537.620	3.938	10	10	KHCE	
C[C@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866845360	ZAFIHGLOZYIMEQ-IRXDYDNUSA-N	588.667	3.504	10	10	KHCE	
COc1ccc(-c2csc(CCC(=O)N[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1868913598	MMZCAENQJHAHRM-LJQANCHMSA-N	508.644	3.613	10	10	KHCE	
CCC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868922891	UFXRRONVRCCHPH-OAQYLSRUSA-N	545.706	3.732	10	10	KHCE	
COc1ccc(CCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3C)cc1	1875196241	OCDXQIOKGLUSHY-UHFFFAOYSA-N	500.603	3.603	10	10	KHCE	
COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	2297299309	YBJNRSZNDOOYKC-UHFFFAOYSA-N	592.703	3.752	10	10	KHCE	
COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2)cc1	33930171	LHEJPVRCHNGZTR-FHLVJBCUSA-N	515.634	3.702	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)CC1	102824222	NBEKLAHXTVFULB-CJLVFECKSA-N	535.695	3.887	10	10	KHCE	
CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110526757	XTMHDBJSFOLOCY-QJOMJCCJSA-N	565.721	3.831	10	10	KHCE	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccccc2)C1=O	504771599	DFVLKQDONVZMQB-JAMKYWPSSA-N	518.639	3.921	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864008459	KQTDRFMCQQEBIO-QHCPKHFHSA-N	526.037	3.788	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1	1864011987	OJJAFGGPPOAUCW-VWLOTQADSA-N	530.556	3.810	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865026289	LTCXWBWAQNDGJH-HYBUGGRVSA-N	539.032	3.763	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@H]2CO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031789	OCPBCELPMWTFRI-URXFXBBRSA-N	524.577	3.628	10	10	KHCE	
COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C(C)C)c(C)o2)cc1	1868657265	OCRYVAWPQHXMFD-MHZLTWQESA-N	520.630	3.699	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1	1871570940	LZLZUFDPZJCPCG-UHFFFAOYSA-N	511.074	3.698	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873166584	SCUHERZOKFEQER-UHFFFAOYSA-N	519.045	3.949	10	10	KHCE	
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314400675	QAHCQAKPJMIHFS-MRXNPFEDSA-N	543.717	3.851	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@@]3(OC(=O)c4c(C(=O)NCCCN=[N+]=[N-])cccc43)[C@@H]2C=C1	2333074728	UJIRBDGHKAQZRJ-CRDCFYADSA-N	514.586	3.989	10	10	KHCE	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	14132699	QPOSKUCDDKNITK-ZROIWOOFSA-N	506.296	3.673	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@@H]2c1ccc(O)c(O)c1	1864010226	PVOIMHQEKPBPCB-XMMPIXPASA-N	501.587	3.558	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015043	ILMRRJMIOHMQTJ-SFHVURJKSA-N	502.493	3.972	10	10	KHCE	
CCOc1cc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)ccc1O	1865041127	SAOWXNGCYBYFSP-VWLOTQADSA-N	547.656	3.622	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867273565	BAECADFRXJKKEG-XCZPVHLTSA-N	548.599	3.532	10	10	KHCE	
CCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869028209	LJZRHFKQHJMUSA-QHCPKHFHSA-N	502.453	3.942	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccc(F)c(Cl)c4)[nH]3)CC2)cc1	1871655872	MGHKTHXMHLQMEM-UHFFFAOYSA-N	509.973	3.792	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3F)ncnc21	1875229258	GKLGOAQIAPEYIA-UHFFFAOYSA-N	518.593	3.800	10	10	KHCE	
Cc1ccccc1N1C(=O)C(=Cc2cc(I)cc(I)c2O)C(=O)NC1=S	2294229314	JGISMIYEJHSJJH-UHFFFAOYSA-N	590.180	3.741	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC	2297499010	SINYDXWFTBZZBY-UHFFFAOYSA-N	506.989	3.837	10	10	KHCE	
COc1ccc(C=CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	2328499694	ZEPBHIFDOHGQFC-MUUNZHRXSA-N	517.601	3.932	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)cc(Br)c1OS(C)(=O)=O	101393586	YROHETBKGVBYST-NFTNTKDESA-N	533.451	3.516	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	1084506075	MDGRSUMGCILJIK-YVLHZVERSA-N	555.301	3.734	10	10	KHCE	
COc1ccc(/C=C/C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1861935040	ZEPBHIFDOHGQFC-TUCQHXELSA-N	517.601	3.932	10	10	KHCE	
NC1=C(C(=O)NCc2cccnc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864016839	YLTHIWPTDPFZRH-XMMPIXPASA-N	532.560	3.752	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1	1864020725	GACJZCGIWZMPKF-WNSKOXEYSA-N	522.602	3.856	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865032989	PFCRPNJSRAVDME-QHCPKHFHSA-N	538.048	3.747	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865384397	KLYDTVIFHWZLIV-SANMLTNESA-N	536.636	3.882	10	10	KHCE	
CC(C)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867433026	BSUQUBJZIKLWOU-SANMLTNESA-N	547.700	3.609	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)C(C)C)CC2)cc1	1868659059	DONAMVYDQKKAIN-WUFINQPMSA-N	500.643	3.906	10	10	KHCE	
CC[C@](C)(NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869011169	ATOWQIFIKOJCLQ-PMERELPUSA-N	516.642	3.710	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCCCN3CCCC3)C2=O)cc1	1873167413	GIZQEKYWARJDJN-UHFFFAOYSA-N	505.707	3.981	10	10	KHCE	
CC(=O)Nc1cccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)c1	1873916938	VSUPGHDYKFAGBM-UHFFFAOYSA-N	500.463	3.523	10	10	KHCE	
COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S	2296712293	URBHIMVMIDZHDX-UHFFFAOYSA-N	502.017	3.933	10	10	KHCE	
Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)cc1	2297345418	UZGHOUFKBRNYQH-UHFFFAOYSA-N	547.412	3.598	10	10	KHCE	
Cc1cccc(NC(=O)[C@@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1C	2326943785	UAFGFJFLUIADFA-OAHLLOKOSA-N	509.609	3.723	10	10	KHCE	
CN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	33590438	DPCYLXZOBBDARM-XMHGGMMESA-N	512.060	3.501	10	10	KHCE	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1	103437272	YCDNIQLTIBELIF-SANMLTNESA-N	540.686	3.612	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)C(=N)N21	104559919	UIHNSTZRYHQUJP-QNHLIMGLSA-N	537.392	3.788	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)CCCN4C(=O)c5ccccc5C4=O)CC3)ccc21	1860596005	HYPJOXAKRYIYFH-UHFFFAOYSA-N	549.583	3.716	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1	1868597205	XTMLAALMDISFSE-RUZDIDTESA-N	554.738	3.860	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5)cc4n3)CC2)cc1	1869004103	OCMSEAIEJLCBIF-FQEVSTJZSA-N	524.625	3.749	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccccc1C	2297345210	CFJDBNADMUDYRA-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccccc4OC)cc3)C(=O)N=C2S1	2297346367	ZLGIOVRHNZAEFG-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	101434840	DNENXYJVLHMKDB-WJDWOHSUSA-N	521.623	3.880	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499511	BIRNPCZYZHVTHI-CMISJSSVSA-N	571.655	3.911	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1	1864010254	QLGRKHFMHPOMTK-PSLXWICFSA-N	508.575	3.602	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864017513	OBSGITDMARZEAV-QHCPKHFHSA-N	532.622	3.970	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867158172	AIXPVDDWFKXWOQ-OAQYLSRUSA-N	525.590	3.737	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(-c5ccccc5C)cc4)[nH]3)CC2)cc1	1871638851	PFESNLUXEUNLNH-UHFFFAOYSA-N	511.630	3.752	10	10	KHCE	
CCCCOCCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873169309	JOJWHIBSHWOLMT-UHFFFAOYSA-N	522.690	3.693	10	10	KHCE	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c1	2293707224	BOVVKHMURGNSMB-UHFFFAOYSA-N	500.535	3.951	10	10	KHCE	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2296928051	NYDUZEGUNDLYEX-UHFFFAOYSA-N	545.935	3.820	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)C(=Cc4ccc(F)cc4)Oc4ccccc43)CC2)cc1	2297417774	UAJYKDCEOLQXOE-UHFFFAOYSA-N	544.627	3.929	10	10	KHCE	
CCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1F	38619424	CBBOGXRGYXXPMI-HSZRJFAPSA-N	503.596	3.668	10	10	KHCE	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)cc2)s1	101747024	LUFADNDCXBQREL-LFIBNONCSA-N	591.469	3.551	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864018742	BRWJVRPOZXQQQY-RUZDIDTESA-N	533.673	3.674	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864021648	DSUKJWANPZLSCZ-SFHVURJKSA-N	502.493	3.980	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865033092	RMTSVNQILDPWDX-NTKDMRAZSA-N	518.614	3.612	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(N4CCCC4=O)c3)c3ccccc3)CC2)cc1	1868613235	RLTSPYRYLYJFJL-NDEPHWFRSA-N	512.610	3.642	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(C)c(C)c1	2297345046	LOFWHSNMRXGTAG-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N4CCc5cc(OC)c(OC)cc5[C@@H]34)CC2)cc1	4790576	BXTQQJMBMRVAHL-WDYNHAJCSA-N	527.621	3.898	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1	33479043	ZRWKVVMVWMKLNE-PXLXIMEGSA-N	507.685	3.592	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	59534764	QQZNJKSMSSXTMS-BKUYFWCQSA-N	503.515	3.858	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(I)cc4)N=C3C)cc2)nc(OC)n1	100374201	AYEZXTMIKHBBGX-CPNJWEJPSA-N	620.429	3.618	10	10	KHCE	
CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	101350409	OYQXXEGWCLNEIB-XQNSMLJCSA-N	520.567	3.773	10	10	KHCE	
CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	102445732	LCNHZFKTCJAYIW-UDWIEESQSA-N	508.625	3.979	10	10	KHCE	
CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1	248045086	MAQXGJWCXYXZRE-TUAOVVRQSA-N	513.594	3.537	10	10	KHCE	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(ccc([C@@H]3C[C@](C)(N(C)C)[C@@H](O)[C@@H](C)O3)c1O)C2=O	257379343	AQBUFJBHZGRZRV-DSARFSMOSA-N	589.641	3.515	10	10	KHCE	
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC	526313576	LGDKAYZHNHWYRF-XMMPIXPASA-N	526.567	3.600	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864011759	XTNXWEBTIXDEHG-VWLOTQADSA-N	514.582	3.719	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1865031294	DPWWWFMNVGUYFZ-DEOSSOPVSA-N	526.593	3.697	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865037250	MRTPDXOKJMDAMG-QYBDOPJKSA-N	540.620	3.925	10	10	KHCE	
CCc1ccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1	1867178797	PKCNXUPDWKSHNW-VWLOTQADSA-N	537.572	3.646	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)n1	1869111072	QZAGXJVWGPLWAT-UHFFFAOYSA-N	649.862	3.938	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	2296311846	NORPBBHVOCBJSA-OAQYLSRUSA-N	547.706	3.710	10	10	KHCE	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	2296676486	XIGLDBCHPWVDID-SDHSZQHLSA-N	521.525	3.899	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1	2297346473	LFGOMQHMYBOSHF-UHFFFAOYSA-N	544.586	3.701	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	2297578883	JTNRSYSPDHJULU-UHFFFAOYSA-N	563.705	3.665	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OC(C)C	2313557018	QZQUOHGHXRFMGC-UHFFFAOYSA-N	564.332	3.872	10	10	KHCE	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N=C(S)N(c2ccc(F)cc2)C1=O	103123063	LOWSZAIXAIXHHN-MTJSOVHGSA-N	545.548	3.882	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	150425955	JWIRLYPWTGPHAF-YBFXNURJSA-N	626.938	3.895	10	10	KHCE	
Cc1c(N2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	1772719540	GNZAITJMAYAIBX-UXEMHHKPSA-N	588.715	3.512	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007050	FBZYRUFUHQDMPP-PFTWBPNJSA-N	504.587	3.990	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCN)C(=O)OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1	1865032293	ZXGKBWPYDZBYGM-OAQYLSRUSA-N	549.628	3.788	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865032477	CZFQRAVHEBKCAQ-QFIPXVFZSA-N	527.021	3.815	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865033596	DIKHEAMUJWNBFF-QQMNAOGKSA-N	534.613	3.710	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865333718	LGTFFZIUTHPPST-VWLOTQADSA-N	542.665	3.943	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869032963	LDUTUFDQROZVKG-DFHRPNOPSA-N	527.621	3.537	10	10	KHCE	
CCN(CC)CCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871478921	FRVGGMMQWPVFDB-UHFFFAOYSA-N	504.683	3.825	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873162205	KFALGMWFOVLCQN-UHFFFAOYSA-N	554.672	3.854	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	2294095527	VRLWVRGKYFFQBY-UHFFFAOYSA-N	531.359	3.683	10	10	KHCE	
O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	2314486609	DQNUWKZCOMUCCL-UHFFFAOYSA-N	511.547	3.920	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(C)cc1	96459825	RJMBRJJUCYJDRK-OOFGAGLLSA-N	519.004	3.857	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864011879	MEZXUQDNUMBUIM-DEOSSOPVSA-N	524.593	3.808	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864017647	QUEPOMQJNIIQPH-XMMPIXPASA-N	512.566	3.866	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864018584	OKOPXNGEPXLSCI-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865028040	OBXQUXDNBAITBL-RUZDIDTESA-N	547.011	3.961	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC(=O)OCC)Cc1ccccc1)=C(N)O2	1865030358	IHDTXRVTSXSECD-DEOSSOPVSA-N	534.613	3.553	10	10	KHCE	
CC[C@@](C)(NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866885653	PJFBBEUDJGZAIS-HHHXNRCGSA-N	539.009	3.813	10	10	KHCE	
CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867830700	BYQIIBXTHCYWQA-LOSJGSFVSA-N	540.621	3.811	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCc5ccc(S(N)(=O)=O)cc5C4)nc(Cc4ccccc4)n3)CC2)cc1	1869076139	YPUHPKXTYHAYBT-UHFFFAOYSA-N	570.719	3.613	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC[C@@H]4COc5ccccc5O4)c4ccccc34)[C@H]21	1873957648	MBBUZLLDOBIIPV-XBBWARJSSA-N	508.578	3.744	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1	2297346183	KGYWSNCHNYPRHS-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1O[C@@H](CC)C(=O)O	2314936553	ZMLHZRPEPSEPCU-KRWDZBQOSA-N	500.598	3.802	10	10	KHCE	
CC(C)Oc1cccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1	2330934999	CWUGQJOEAJAQHE-UHFFFAOYSA-N	523.611	3.905	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2	1864014590	YZTNOSLYVPMTQR-HSZRJFAPSA-N	534.613	3.843	10	10	KHCE	
NC1=C(C(=O)NCc2ccccc2F)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864021681	FLSGNGCAFFJPON-LJQANCHMSA-N	541.461	3.847	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865032749	JWGPPDYKWAJNLI-HLFMIMNKSA-N	525.005	3.830	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)cccc21	1866999358	FFNDATJABWMILC-GOTSBHOMSA-N	502.954	3.725	10	10	KHCE	
COc1cc(OC)cc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867394782	BWNNPBDZJJDFTQ-SXOMAYOGSA-N	542.746	3.965	10	10	KHCE	
CCCOC(=O)COc1cn(Cc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870333489	RZBJYGKDVGSSCX-UHFFFAOYSA-N	519.642	3.868	10	10	KHCE	
COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)CC1	1873170507	CEQJIHOCEWEFNU-UHFFFAOYSA-N	532.685	3.837	10	10	KHCE	
Cc1c(C(=C2C[C@H](C(C)C)C(=O)[C@H](CN(CC(=O)O)CC(=O)O)[C@@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O	2048409368	HIEMKKVAUHDMPJ-FZWQGKLBSA-N	760.859	3.812	10	10	KHCE	
CCOc1cccc(N2C(=O)C(=Cc3cc(I)c(OC)c(OC)c3)C(=O)NC2=S)c1	2294204871	MYOPJSIIHSUAKD-UHFFFAOYSA-N	538.363	3.538	10	10	KHCE	
CCN(CC)c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	54310802	RCCXIYFEUZTFOE-OAQYLSRUSA-N	509.466	3.890	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(Br)s3)c3ccco3)CC2)cc1	139434933	WQCRYUZIPZAXLD-GOSISDBHSA-N	526.478	3.954	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864009342	FTIZXSFBEWYJLX-JOCHJYFZSA-N	530.984	3.681	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864020392	XXXFRCNXOMLUMQ-RUZDIDTESA-N	510.594	3.959	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865025918	FIGSUJSTDGYAIO-DEOSSOPVSA-N	538.048	3.553	10	10	KHCE	
CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865030743	PVPMGFTYFPPJJB-XMMPIXPASA-N	540.576	3.667	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1	1865034563	ZODHHADWVXTRDY-SFHVURJKSA-N	517.508	3.514	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3C)CC1)=C(N)O2	1865037335	NYWRRHIXHQUDOR-SANMLTNESA-N	545.684	3.860	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1cc(OC)ccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865236533	FOAUARKFXVOBAT-VWLOTQADSA-N	547.656	3.535	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4ccccc4)cn3CCN(C)C)CC2)cc1	1870636031	QJXOAGLKPZWUSZ-UHFFFAOYSA-N	520.674	3.589	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5cc(C)ccc5nc4n3Cc3ccccc3)CC2)cc1	1875239391	JLRHIUCCNUEYEZ-UHFFFAOYSA-N	507.594	3.977	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1	2297104901	KBUQEGPSUFOQKR-UHFFFAOYSA-N	549.923	3.731	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1	2297312661	SSBSCIDBFBYQES-UHFFFAOYSA-N	570.096	3.659	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccccc4C)cc3)C(=O)N=C2S1	2297346158	IFWZANUYHRLVLJ-UHFFFAOYSA-N	512.613	3.854	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864017929	YRPSQKUXEXWXNS-XMMPIXPASA-N	517.630	3.533	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@H]2c1ccc(O)c(O)c1	1864021798	GVVXMAOBOMLFOM-IBGZPJMESA-N	532.519	3.840	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3cccs3)CC2)cc1	1865321085	CKUULHJZDKFJHY-XMMPIXPASA-N	528.638	3.689	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccnc1	1865393756	ATGQMMCWWAXYKY-FQEVSTJZSA-N	542.562	3.759	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(-c4cccnc4)[nH]n3)CC2)cc1	1868977807	PEAIBANHVBHIKZ-NDEPHWFRSA-N	556.692	3.861	10	10	KHCE	
COc1ccc(OCCN2C(=O)C(NCCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873169196	DRFRTDVUHWRAEQ-UHFFFAOYSA-N	558.679	3.574	10	10	KHCE	
COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	2313682644	HXYQKAOTWYMWEN-UHFFFAOYSA-N	540.989	3.583	10	10	KHCE	
Cc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)O[C@H](C)C3)SC2=S)cc1	33452556	RKKRBJIKCISGKR-NJHOJWAESA-N	508.669	3.889	10	10	KHCE	
CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O	33812533	UJPQJBURYYEBGD-HAHDFKILSA-N	521.712	3.980	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CN4C(=O)/C(=C\c5cc(OC)c(OC)c(OC)c5)SC4=S)CC3)=NC2=O)cc1	96022328	HRQXQAYRBHZWQU-REPVBDINSA-N	654.792	3.737	10	10	KHCE	
CO[C@H]1O[C@H]([C@@H](O)N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	169617953	DPFOYSKUEJRSRC-UBLIVHHGSA-N	547.520	3.663	10	10	KHCE	
CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S	206842355	ZYOVPDUCEJRTTF-HKWRFOASSA-N	506.646	3.631	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4cccc(C)c4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084592677	POELXYFXXRTRFA-AREMUKBSSA-N	512.635	3.721	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012532	CJFCQVJENVFBFP-DEOSSOPVSA-N	511.582	3.701	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864013209	SOOJUHZJCNPJOR-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864018392	KHRFOHIEOZLLLS-HSZRJFAPSA-N	524.593	3.670	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865026034	IKACCCXHGPCNTE-DEOSSOPVSA-N	538.048	3.552	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1	1865034007	MZEGXMWRWHVAGT-SFHVURJKSA-N	518.467	3.818	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)N=C2S1	2297346270	RBFPIJJUXCRREO-UHFFFAOYSA-N	502.961	3.571	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1	2297346329	WAWDVFQFOULKFR-UHFFFAOYSA-N	526.596	3.624	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101911285	UYWATLZDBWSNON-AJINMQIHSA-N	530.693	3.820	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCN2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1864008107	BYEOULIKIMGJAC-VWLOTQADSA-N	517.630	3.587	10	10	KHCE	
CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)CC1	1865028726	YZLPONRXQOYMBY-JOCHJYFZSA-N	544.439	3.757	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cccc(Oc3ccccc3)c2)N2CCCCC2)cc1	1867700856	JGENVNKAPRQVPK-FQLXRVMXSA-N	530.669	3.979	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869001544	NMMMQIVAAITGTB-GDLZYMKVSA-N	534.613	3.564	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cc(NC(C)=O)ccc4C)[nH]3)CC2)cc1	1871623662	QHDFHXXXETURCR-UHFFFAOYSA-N	518.666	3.519	10	10	KHCE	
O=C1C(=Cc2ccccc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	2314829349	ZYYVWPBFSRWGBU-FQEVSTJZSA-N	559.735	3.687	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=O)N=C2S1	20208739	RGUCANZDQZJCPR-JJJWLNEWSA-N	502.599	3.615	10	10	KHCE	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1	164006022	VZDCJXZSAKLJAN-UHFFFAOYSA-N	632.617	3.979	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3c(F)cccc3Cl)CC2)cc1	1862299671	LJNSSVRYJOLGPE-DEOSSOPVSA-N	511.981	3.883	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864018659	QADFWDOLUHYRQV-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866905100	OYKFYIHFSFDQDS-AREMUKBSSA-N	525.605	3.765	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800216	RNPZKZFKAOTVKN-SHQCIBLASA-N	570.760	3.922	10	10	KHCE	
COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1	2297346487	NUJBGMOAFDERDE-UHFFFAOYSA-N	526.596	3.562	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	2314476894	XQXLCZNJYQQTTH-JOCHJYFZSA-N	616.812	3.958	10	10	KHCE	
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	20683728	TUBBWXLSLPBXSN-BPJRARJCSA-N	500.617	3.996	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531465	JCPJINYIARKUIL-WYRWUVFZSA-N	629.805	3.683	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc(C)c1-c1ccc(Br)cc1	1860757979	FGJJANVCOQZSQL-UHFFFAOYSA-N	594.509	3.608	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864013035	OPJWAZCKGNBYGY-SANMLTNESA-N	545.684	3.982	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865028420	UPBQJFWMUJSBRF-BTYIYWSLSA-N	531.396	3.577	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865035076	KQPXOQKPCPSHGT-QMHKHESXSA-N	506.578	3.997	10	10	KHCE	
CC1(C)C(C=CC=C2N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3[C@@]2(C)CCCCS(=O)(=O)O)=[N+](CCCCCC(=O)NCCN2C(=O)C=CC2=O)c2ccc(S(=O)(=O)O)cc21	2081012728	BXWREAISOPJWIF-VQJSHJPSSA-O	970.156	3.712	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1	2314842259	KOGAQIRJGIBDPS-UHFFFAOYSA-N	598.124	3.851	10	10	KHCE	
CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	2365424893	SRMYPORDCSMVOH-XZOQPEGZSA-N	504.539	3.527	10	10	KHCE	
O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCCc1ccccc1	2533462	MSGGPZPDUXCOJM-GHVJWSGMSA-N	503.605	3.757	10	10	KHCE	
CN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2CCCO)c2cc(Br)ccc21	100729653	ATXMEXGHVJNVRU-PTNGSMBKSA-N	566.193	3.663	10	10	KHCE	
CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21	101377753	SMJYSSYHFJLYGO-ZVHZXABRSA-N	615.550	3.810	10	10	KHCE	
Cc1nc(N2CCN(Cc3ccccc3)CC2)ncc1-c1ccnc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1	102372107	CFZXRLGCEFNERU-UHFFFAOYSA-N	550.667	3.620	10	10	KHCE	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	1616129792	XLCWKYBXMKQINL-FUFSCUOVSA-N	522.605	3.689	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865324448	AGZBGJCJCLMYGX-HSZRJFAPSA-N	507.660	3.969	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(F)cc1F	1865414701	DMJPDHFUIZVHFL-XMMPIXPASA-N	523.584	3.932	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3ccccc3F)CC2)cc1	1868600365	UXDBNFQWNUDVLC-MHZLTWQESA-N	505.590	3.549	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1	1868883548	ZGGFSKXPFMHGQZ-HXOBKFHXSA-N	556.461	3.525	10	10	KHCE	
C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)C[C@@H](C)O1	2314399996	GZYFVDGIJBMYBV-IYBDPMFKSA-N	510.616	3.849	10	10	KHCE	
Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	20207999	OMLYTJJQYDVKMS-XCOJNYNVSA-N	519.004	3.727	10	10	KHCE	
Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1C	59303027	JMRROIVDLPJCKO-MTJSOVHGSA-N	517.563	3.939	10	10	KHCE	
COc1ccccc1[C@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl	103078448	PMKQVRNNOVVGGS-HHHXNRCGSA-N	564.086	3.839	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)CC1	150448137	DBIPVRPUHOMPGY-JLPGSUDCSA-N	640.765	3.789	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1O	1083974992	SXTSGKWKJOOABK-QPEQYQDCSA-N	557.138	3.824	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)Cc3cc(Cl)ccc3SC)CC2)cc1	1861897518	NLDAGTKDKWBGRZ-NRFANRHFSA-N	506.093	3.863	10	10	KHCE	
NC1=C(C(=O)NCc2ccccn2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864015633	TUJVFAOSFPDETI-HXUWFJFHSA-N	537.498	3.767	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864017390	LDKXMNHIPYZYPS-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864019252	XGUJJRNIQNQNIS-JOCHJYFZSA-N	527.021	3.796	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865031441	GXZGBHNFFLTLCP-QFIPXVFZSA-N	532.984	3.749	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@H](CO)C2)=C(N)O3)cc1	1865033141	SQFCVKQCDWCZGI-UUOWRZLLSA-N	548.640	3.551	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865033168	UCFVPHRNXDAFGC-VFNWGFHPSA-N	545.423	3.831	10	10	KHCE	
COc1ccc(F)cc1-c1cc(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1C	1867099147	JFVZDVZAEVLGRP-OAHLLOKOSA-N	526.524	3.767	10	10	KHCE	
CCC[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868919878	RXNHQTBMSZNNCL-DEOSSOPVSA-N	536.702	3.607	10	10	KHCE	
COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc(OC)c1	1873426024	RZBUJZVTVZUKFB-UHFFFAOYSA-N	530.625	3.636	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	2313631513	PGPXAGVQZZVYOY-UHFFFAOYSA-N	521.574	3.633	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)cc1	1864007631	QTKXZXQPBBTSCP-VWLOTQADSA-N	530.556	3.793	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011529	JDZLMGDRHLZFOB-QFIPXVFZSA-N	512.994	3.540	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2	1864018034	AWMHALPTXAIZMO-DEOSSOPVSA-N	511.582	3.603	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O	1867500152	XMWMEDWFFQCGFK-BMIOMVLPSA-N	625.726	3.636	10	10	KHCE	
COCCc1nc(N2CCN(CCCc3cccc(F)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869111824	OAIMJSVZDKUBAU-UHFFFAOYSA-N	548.707	3.895	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(CCN(C)C)C2=O)cc1	1873162031	CNYMFJDWXKBTHC-UHFFFAOYSA-N	525.697	3.990	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	150624683	HYLUSWAKLQMGOU-SRKIZSPNSA-N	715.351	3.779	10	10	KHCE	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1C	213201158	OHNNRVDXQFCSDY-BRLDDBHUSA-N	541.676	3.800	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	247934959	DIYYIWINDHRXTH-YDLHNXBPSA-N	501.377	3.573	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1	1864020723	GACJZCGIWZMPKF-IQMFZBJNSA-N	522.602	3.856	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1C	1865029745	ULOWUAHZQOMFBS-SANMLTNESA-N	531.657	3.919	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865034972	IMQKLPXHYCRBME-HSZRJFAPSA-N	506.578	3.997	10	10	KHCE	
C[C@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867850000	QXAUIAXFIGYAMM-MBSDFSHPSA-N	548.469	3.819	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3Cc3ccccc3F)CC2)cc1	1870480984	MJOPAIDLNMZOCB-UHFFFAOYSA-N	523.605	3.697	10	10	KHCE	
CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873426275	YJRIRUNMSYFKPY-UHFFFAOYSA-N	541.652	3.967	10	10	KHCE	
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	2297104265	AYXXBVBPZIVJQO-UHFFFAOYSA-N	526.958	3.728	10	10	KHCE	
COc1c(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	2087609	DAWPPBVMZGJLEN-CJLVFECKSA-N	541.560	3.713	10	10	KHCE	
CCOC(=O)[C@@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	104723925	PXTLHPSZPJLIBQ-HXUWFJFHSA-N	577.471	3.984	10	10	KHCE	
CCn1c(=C2C(=O)N(c3ccccc3)N=C2Nc2ccccc2)sc(=C2Sc3ccc(OC)cc3N2C)c1=O	254698617	QQRRRKURJQHHJY-UHFFFAOYSA-N	555.685	3.869	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc1	1862105373	RHRYBDFGYVBZJI-HHHXNRCGSA-N	515.589	3.709	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865030207	FRIJBIASNHJERK-VWLOTQADSA-N	549.647	3.681	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865067247	QKCXYNXYOZCKRH-QHCPKHFHSA-N	505.594	3.564	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865511630	LGAXVDKELPPTHQ-RUZDIDTESA-N	547.656	3.535	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867432084	HLNDDJGTDONTAM-IZLXSDGUSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(C)=O)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1	1867976687	BPCVEZRVHDLAGW-UHFFFAOYSA-N	507.038	3.801	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4cccc(Cl)n4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1	1869969655	HQAKPGCLHOTXNG-UHFFFAOYSA-N	503.994	3.634	10	10	KHCE	
Cc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)c1	2297345443	WWEXOHALAXPNJV-UHFFFAOYSA-N	547.412	3.598	10	10	KHCE	
Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	2314400469	NDSWIZOMZMENOU-UHFFFAOYSA-N	558.689	3.807	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	2314476134	JINZDXVURDZMCG-JXALWOEJSA-N	658.849	3.726	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1	2314829210	ZPQWVXVKKKCPNC-UHFFFAOYSA-N	516.597	3.816	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	254458176	QQULPSAKTJVJMD-AREMUKBSSA-N	557.628	3.823	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864012966	NBBZMLMHGOFMNU-HSZRJFAPSA-N	549.031	3.725	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@H]2c1ccc(O)c(O)c1	1864015975	GZQDNJXKQPRQJJ-QHCPKHFHSA-N	517.630	3.668	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1O	1865532572	VPLNSQGZGBMOOH-HXUWFJFHSA-N	543.546	3.679	10	10	KHCE	
CC[C@](C)(NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866810325	ZNSJFLKWDQEDOY-PMERELPUSA-N	575.643	3.508	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)CC1	2297460213	TWWZNJLEKBAXKC-UHFFFAOYSA-N	533.723	3.979	10	10	KHCE	
CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S	2314767087	DNBJFOKRWJFJFG-DEOSSOPVSA-N	540.663	3.820	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc4ccccc34)c3ccccc32)SC1=S	1860827038	OUZPTMZXGZEZGV-FCQUAONHSA-N	517.588	3.871	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019568	MOTPUJMCJSKLQT-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864022379	MOUZQTVYWMUIRP-SFHVURJKSA-N	546.502	3.521	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865030987	WIBJHTOTKMWLDX-FQRUVTKNSA-N	546.668	3.837	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865032777	KOXVQYLSQGNEQP-WAIKUNEKSA-N	504.587	3.808	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCCOc1ccccc1	2297345559	HLRXJPFTSVKCIY-UHFFFAOYSA-N	542.639	3.945	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OCC)CC2)sc(C)c1-c1ccc(OCC)cc1	1860762280	AQCCLZSXLCBQPU-UHFFFAOYSA-N	531.631	3.975	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1	1864008349	IQZCBNKFVUQXIE-MPBGBICISA-N	513.392	3.964	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865032440	CJDLBOTZVQWRFR-HSZRJFAPSA-N	538.048	3.747	10	10	KHCE	
CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)CC1	1865034528	YKYAKSZAULRQMD-GOSISDBHSA-N	515.492	3.650	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(N(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865078339	DGBZZMJVVWDEHU-SANMLTNESA-N	544.700	3.974	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(OC)c(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865137817	QAAWTPGIGDSTMP-VWLOTQADSA-N	547.656	3.622	10	10	KHCE	
Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867190216	KLVKYPXBINMIAL-OAHLLOKOSA-N	537.528	3.840	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccco4)n(C)n3)CC2)cc1	1869034841	RUSAZQCESPZDMN-RUZDIDTESA-N	531.588	3.518	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1	1871729202	SCBFNYCBLCNITR-DEOSSOPVSA-N	511.630	3.538	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	2313559731	PELINNDTNKYQJH-UHFFFAOYSA-N	527.112	3.729	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O	2314831589	NYBGXXZSJIZGIN-UHFFFAOYSA-N	502.570	3.728	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	100851282	XQLMUFZQNOJEQW-QVEFSTLPSA-N	536.679	3.761	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	100885837	VYXVQTRMROHUMP-RCCKNPSSSA-N	576.704	3.655	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)CC2)cc1	1862241559	FHWUGRGUGUNVKA-AREMUKBSSA-N	508.018	3.804	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2	1864011229	RWQLARVUQVCLQO-QFIPXVFZSA-N	506.603	3.972	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2	1864018447	LEYOKCAUELIKFY-XMMPIXPASA-N	511.582	3.685	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1865027176	VPXJCKZLAJTKCY-SANMLTNESA-N	543.599	3.971	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccncc1	1865412685	VFTFZKRJNDYBGI-HXUWFJFHSA-N	542.562	3.759	10	10	KHCE	
Cc1cc(C)cc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	96459897	FPXQIKZHYHLADU-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
CC[C@](C)(NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861994440	QZSLPOVRZNYOFV-BTYSJIOQSA-N	510.654	3.680	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@H]2c1ccc(O)c(O)c1	1865031795	OELLUJGKZWNTNB-JPYJTQIMSA-N	518.614	3.543	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCOc4ccccc42)=C(N)O3)cc1	1865034513	YBAVMCCFLGCIHW-QHCPKHFHSA-N	526.549	3.627	10	10	KHCE	
CCCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870372871	UJSRVYVYCQPPFF-UHFFFAOYSA-N	515.614	3.817	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CSc3nc4[nH]ncc4c(=O)n3-c3cccc(C(F)(F)F)c3)CC2)cc1	33358178	OWIHDAMKMMTROJ-UHFFFAOYSA-N	544.559	3.577	10	10	KHCE	
CCCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	101742909	FNNQUGZGFOUFIQ-XMHGGMMESA-N	601.541	3.630	10	10	KHCE	
Cc1c(N2C(=O)/C(=C/c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	150620713	RRKYSYSRVXOBIX-USHMODERSA-N	693.811	3.949	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864012570	DFYYOPFCOAYJFM-DEOSSOPVSA-N	520.630	3.759	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1	1864016258	KSRVHZYTYJJGTE-RTSMZUCVSA-N	542.636	3.876	10	10	KHCE	
COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1865029083	FSZKJJCXHLVSMZ-SANMLTNESA-N	544.608	3.561	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N(C)Cc2ccccc2)=C(N)O3)cc1	1865033825	IOVJPDIRVQODHF-QHCPKHFHSA-N	512.566	3.860	10	10	KHCE	
CCN(CC)CCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871524102	QXYYNEOCPDSLKN-UHFFFAOYSA-N	511.074	3.779	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873162255	MXSNLMHPJURGMT-UHFFFAOYSA-N	530.644	3.868	10	10	KHCE	
COCCCn1c(C(=O)N2CCCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873558528	FDQJPFJMEYCEBH-UHFFFAOYSA-N	506.651	3.819	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=O)N=C2S1	2297346142	GZJTXWFMRQPUJJ-UHFFFAOYSA-N	508.990	3.632	10	10	KHCE	
CCCCN1C(=O)C(=Cc2c(N3CCC(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	2297460933	WJXILHHUTXUUAV-UHFFFAOYSA-N	514.673	3.784	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1C	2297499210	FXFWFGWORTXNHO-UHFFFAOYSA-N	519.004	3.857	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314768782	ONXJAGKERURLGN-UHFFFAOYSA-N	606.520	3.550	10	10	KHCE	
Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1Cl	2326941546	LJCJLZSDIQXZQG-UHFFFAOYSA-N	516.000	3.680	10	10	KHCE	
Cc1nn(-c2ccc(I)cc2)c(O)c1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	101124367	KNLANROKFCULHX-YVLHZVERSA-N	548.724	3.811	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N	110520203	ZLPPAKRTAHYWEP-KQWNVCNZSA-N	583.711	3.877	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S	150405923	SBLOLKOASMGMQT-KIKKFWRUSA-N	621.354	3.793	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864014281	RAWQHTNAKWRLJP-QRQCRPRQSA-N	532.984	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccco3)CC2)cc1	1865303099	YXYNFHGMEWNXIL-VWLOTQADSA-N	511.582	3.826	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867485565	YZVZICWUQFKLAG-QSSDJRQSSA-N	657.743	3.645	10	10	KHCE	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C	2297345998	VKEOZMJFZWXSQE-UHFFFAOYSA-N	514.589	3.711	10	10	KHCE	
CCCCCN1C(=O)C(=Cc2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	2297460731	VXEGDTVLRYQFOD-UHFFFAOYSA-N	514.673	3.865	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H](C)CC)C2=O)CC1	2297461321	SETRTPVYLIDGGF-INIZCTEOSA-N	514.673	3.782	10	10	KHCE	
Cc1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314600237	TXNUNFHWANIXOF-KRWDZBQOSA-N	525.073	3.659	10	10	KHCE	
NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	2323799763	TUYMHBJIBJCPAP-IBGZPJMESA-N	530.027	3.904	10	10	KHCE	
CCCOc1ccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1	2330935267	PHUHPKCOXIYFQN-UHFFFAOYSA-N	523.611	3.907	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O	34255326	HZVMHPVWEDNUGM-HMMYKYKNSA-N	510.641	3.943	10	10	KHCE	
O=C1/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	100860238	HEJJDWTZHSKZNX-JFLDFIPSSA-N	551.669	3.540	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N(CCc4ccc(OC)cc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1	105683736	GDJWAEMJXZGVOF-JJIBRWJFSA-N	551.738	3.643	10	10	KHCE	
CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864014797	CPWKJDDNCSZBKC-XIKOKIGWSA-N	502.493	3.985	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCO)[C@H]3c2ccc(O)c(O)c2)c1	1864016819	YADMSSKILCZFMI-VWLOTQADSA-N	540.620	3.820	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccc(C)cc2)=C(N)O3)cc1	1864022700	PYVIVWPDCZVXPR-QHCPKHFHSA-N	512.566	3.826	10	10	KHCE	
COc1ccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1	1868656704	AAACXENQEHVAMR-RUZDIDTESA-N	552.697	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869033434	PSRCFNQLHZZEHO-DFHRPNOPSA-N	529.612	3.971	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccc(Cl)cc1	2297345502	CIOSBSYDJSFMBQ-UHFFFAOYSA-N	547.014	3.969	10	10	KHCE	
COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)cc2)n1	2297620327	VGHHGBUAAQKQPT-UHFFFAOYSA-N	573.429	3.776	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	2314399914	FCWBGWLFEKRUFR-CALCHBBNSA-N	550.662	3.747	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)c3ccco3)CC2)cc1	38619767	JWEXVJOUUBBITF-QFIPXVFZSA-N	500.958	3.699	10	10	KHCE	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	103069985	AGICJWCUHXIDCK-CAOOACKPSA-N	564.332	3.746	10	10	KHCE	
[N-]=[N+]=NCCOCCOCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	230496923	ZIMAZYOZIYBRJL-UHFFFAOYSA-N	576.562	3.756	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(CC)n(Cc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861904219	GOWUCLUGJZNXQZ-SANMLTNESA-N	503.647	3.750	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccc(OC)cc3OC)c3ccccc3)CC2)cc1	1862148861	FKEJAFHOAYIMFU-YJZYYXGHSA-N	515.610	3.932	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2O1	1864014261	QQLYIUUPMNHPGK-QFIPXVFZSA-N	532.984	3.797	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864015791	VETDKIYORWAQPS-QHCPKHFHSA-N	519.646	3.770	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1864016043	ZCBHHQAGCFMHKK-HXUWFJFHSA-N	546.546	3.826	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865029887	XQCQLOQZAWHSHH-VWLOTQADSA-N	531.657	3.544	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(OCC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865279696	RNGWJABGBGTWMZ-RUZDIDTESA-N	531.657	3.823	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3ccc(Cl)nn3)CC2)cc1	1869058710	NFYBVKUTVUJELW-HSZRJFAPSA-N	526.062	3.519	10	10	KHCE	
CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C)[nH]1	1871482432	XSHPUSUIDZOBJC-UHFFFAOYSA-N	505.667	3.721	10	10	KHCE	
COC(=O)C1CCC(CN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873166228	HUYQSFGCKPKACC-GCKKQHTFSA-N	519.642	3.922	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	2314401463	ZKCIYIGXEWQRGA-KDURUIRLSA-N	602.742	3.820	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314769218	VQJIQTOTEKOWFB-UHFFFAOYSA-N	620.547	3.940	10	10	KHCE	
COc1c2c(c(O)c3c1[C@@H](OC(C)=O)Cc1cc4c(c(O)c1-3)C(=O)O[C@@H](C)C4)C(=O)c1cccc(O)c1C2=O	14285494	KPZZVJIBEBNPBQ-QFYYESIMSA-N	530.485	3.516	10	10	KHCE	biogenic
CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O	39989665	RULMSMSSZAEVGT-NHDPSOOVSA-N	508.625	3.779	10	10	KHCE	
Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	96460804	UHQNFPYBLYNKCW-BJRGRWSZSA-N	512.613	3.853	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864011045	DDMDABNGMUETPU-DEOSSOPVSA-N	500.530	3.801	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015033	IKTJXUGQMFTBTJ-UGSOOPFHSA-N	502.493	3.971	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3ccccn3)CC2)cc1	1865373267	JICXNMBUFDMMAY-MHZLTWQESA-N	536.636	3.936	10	10	KHCE	
COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2)cc1	2296538376	LHEJPVRCHNGZTR-GOSISDBHSA-N	515.634	3.702	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314603349	OBZDCLPIDSZSSF-INIZCTEOSA-N	569.101	3.905	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4cccc(C)c4)c(OC)c3)C(=N)N21	104561028	MGWZANYQJAAYNB-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	104563223	VZINFLUPDXHMOQ-BQFUFWTISA-N	542.639	3.943	10	10	KHCE	
CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	143238468	KRRAVCYJSJNJGF-HMAPJEAMSA-N	570.693	3.786	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1	1861996614	MRDRHCYAGPVPAX-JOCHJYFZSA-N	513.082	3.804	10	10	KHCE	
CCCOC(=O)COc1cn(Cc2ccccc2C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870331000	WMNKWMKVRWKUIY-UHFFFAOYSA-N	519.642	3.868	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)NCc5ccco5)[nH]c4c3)CC2)cc1	1872824540	FLAMDTNRUXDITQ-UHFFFAOYSA-N	505.600	3.535	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1	2297345267	HDXMWMJOCIAVKK-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
C[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1)C(=O)O	2314929482	NFOCFDZWHVODJU-LLVKDONJSA-N	507.387	3.847	10	10	KHCE	
COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)Nc4cccc(OC)c4)n3)CC2)cc1	8850833	VBLCRJACHNGGMR-UHFFFAOYSA-N	512.657	3.782	10	10	KHCE	
CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1	38637571	MXRAVRXJCZPQLR-XMMPIXPASA-N	526.659	3.787	10	10	KHCE	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	101013389	PUYBDDMTROTDPF-RRDPUDRWSA-N	614.796	3.712	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1	101399037	WAWDVFQFOULKFR-NFBUKIRSSA-N	526.596	3.624	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	504697722	LMCOBFDRFKDIJU-YDXRHMNESA-N	597.540	3.793	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864013800	GIJIBYUZNNGOBO-OYHNWAKOSA-N	532.984	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3ccncc3)CC2)cc1	1865401121	HORPZLKYPAYOFB-HHHXNRCGSA-N	536.636	3.936	10	10	KHCE	
CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O	1873426015	RRJQCJPLGKKMKZ-UHFFFAOYSA-N	542.636	3.795	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@@H]3CCCO3)nc12	2296845210	GZUVDZQHBVGVDH-KRWDZBQOSA-N	536.635	3.724	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1	2297345659	PYQUVYSLVCYLMC-UHFFFAOYSA-N	512.613	3.922	10	10	KHCE	
CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21	2313624605	XKCDTPFJIKNCRI-UHFFFAOYSA-N	510.344	3.629	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	2314414139	QNANMFQYGUKSKK-JOCHJYFZSA-N	594.784	3.850	10	10	KHCE	
COc1ccc(CN2CCN(c3cc(NCCO)c4c5c(onc35)-c3ccccc3C4=O)CC2)c(OC)c1OC	101431722	MOUYFHUCGVTBLO-UHFFFAOYSA-N	544.608	3.791	10	10	KHCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)c(OCC)c3)C(=O)N=C2S1	101498140	BYNCXLUUYQVUON-LIXAEYHDSA-N	537.627	3.856	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCCOC(C)C)nc12	102863074	CADFJQCUOYFEQL-AMRJIULGSA-N	502.662	3.610	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864013324	VWUKYBQICSXRJB-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)=C(N)O2	1865030373	INSNBYAAFPBJNH-XMMPIXPASA-N	534.613	3.563	10	10	KHCE	
CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CCCC2	1865926854	GFGYOWIOAYHUJH-KRWDZBQOSA-N	500.617	3.851	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1	1867795263	GMZRYKSTANAPPT-VWLOTQADSA-N	524.666	3.579	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccs4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869969603	GKEBBHCNXLTXHL-UHFFFAOYSA-N	504.616	3.854	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@@H](C)O1	2296716272	VCVLUHHNFKQZQR-KDURUIRLSA-N	551.694	3.869	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	2297345389	RSEZWBLDDLDXHF-UHFFFAOYSA-N	504.977	3.549	10	10	KHCE	
O=C(Nc1ccccc1)N1CCN(CCNC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC1	2297624363	HWGNASSMHIQZDJ-UHFFFAOYSA-N	539.596	3.669	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	20207638	UURGGFFEAHBMGC-LANNQIRMSA-N	504.977	3.549	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(C)cc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	102998025	KWXBEACHVFUCDB-VQYZLWMVSA-N	544.720	3.811	10	10	KHCE	
CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143366457	SLSLUUHUGOVJNK-JJUBJSHISA-N	574.725	3.968	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1	1862111528	FAKMYFDZELQZMO-JOCHJYFZSA-N	504.052	3.756	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864008794	SIRKQQRGJUESNT-RUZDIDTESA-N	512.566	3.671	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865635687	RMHRNNMQGXAJRA-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC	2313682800	KXMSTJLSHBCMLO-UHFFFAOYSA-N	522.539	3.521	10	10	KHCE	
CCN(CCc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12)C(=S)NC	102583862	XPOLBVGQZOOVLX-RGEXLXHISA-N	510.019	3.856	10	10	KHCE	
CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O	110524778	LPBBNONFDXYQHV-HAHDFKILSA-N	537.711	3.600	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N	143277776	ZRMBPGCHOHLIRZ-NKVSQWTQSA-N	520.592	3.901	10	10	KHCE	
C/C=C1\CN2[C@H]3C[C@@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	257622846	XMPQOOTZKXFCNH-GBLLHRIDSA-N	636.698	3.540	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1	1861911021	NDLOHPXNXURWCJ-VWLOTQADSA-N	502.571	3.602	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864019542	LONZBQNAVGPPOS-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1	1867128341	GKGSHWAUHSECRI-DEOSSOPVSA-N	547.523	3.994	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868985612	OVZUGNMXLVHBSU-HSZRJFAPSA-N	504.635	3.561	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(C(C)C)n3)CC2)cc1	1869105383	GXDNSLDPIFUCTR-SANMLTNESA-N	504.610	3.752	10	10	KHCE	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12	2294094915	DMRBYSULSNCHDL-UHFFFAOYSA-N	510.462	3.993	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1	2296542772	NEUUVLPONBCYEE-GOSISDBHSA-N	505.669	3.717	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S	2296547578	CWMWXNHXPLMHKA-UHFFFAOYSA-N	506.653	3.803	10	10	KHCE	
C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O	2314837352	RCYZOCYBOPYKMN-NSHDSACASA-N	501.424	3.506	10	10	KHCE	
C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110076040	GXHTVTWBKCZDHQ-HKWRFOASSA-N	544.662	3.804	10	10	KHCE	
O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1	210968953	GSDPDPFGHFHWLO-MHWRWJLKSA-N	522.507	3.914	10	10	KHCE	
CCCCN1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O	248214135	FNDPVKSPSLVMDF-XHOYROJHSA-N	507.425	3.994	10	10	KHCE	
COc1ccc(CCN2C(=O)[C@@H]([C@@H]3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)SC2=S)cc1OC	606671984	IYRHVECLZUDVCH-SZPZYZBQSA-N	592.786	3.964	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864011822	YXQBOXCJJMHYKT-QFIPXVFZSA-N	535.004	3.666	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864012093	QYSNHAAKIUBLBO-QHCPKHFHSA-N	520.586	3.905	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865028470	VSPTXBXIKHDJEE-DQIAKBPPSA-N	504.587	3.800	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865029683	SSIHKZVJMBYRDS-WAIKUNEKSA-N	539.032	3.815	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865035072	KNCUSESZNIJNQE-RUZDIDTESA-N	531.657	3.614	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccn1C	1865352045	YAXCRBZAFOJLPY-RUZDIDTESA-N	538.652	3.961	10	10	KHCE	
Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(S(N)(=O)=O)c1	1867237235	JTJBOBFUZSACLK-SANMLTNESA-N	585.613	3.537	10	10	KHCE	
COc1cc(OC)cc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867394779	BWNNPBDZJJDFTQ-KAYWLYCHSA-N	542.746	3.965	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1	1867790077	JCDRMETXHBOLMU-LXANVCGNSA-N	644.773	3.888	10	10	KHCE	
CCc1ccc(Nc2nc(=NCCCCCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871586396	RPHIGEMLJRMFSD-UHFFFAOYSA-N	505.667	3.899	10	10	KHCE	
COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O	1873164995	CCLJZDGBZMOWNH-UHFFFAOYSA-N	503.599	3.670	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509108	XAQSKJWHVAQNPE-UHFFFAOYSA-N	549.649	3.809	10	10	KHCE	
O=C1/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(Cl)cc1	2672290	MSGXBEWYXXQYLT-MJWGMMHASA-N	505.042	3.645	10	10	KHCE	
COc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	15044524	FHPXDOWEHLQWJT-HKWRFOASSA-N	519.670	3.743	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1	100849809	LMJIPQJMRXKJPA-RCCKNPSSSA-N	549.678	3.683	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccccc3)nc12	100850878	QRRDPRSTQJALKY-GYZOOYGHSA-N	529.690	3.542	10	10	KHCE	
O=C1/C(=C/c2ccccc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	101909547	ZYYVWPBFSRWGBU-AREJXAQWSA-N	559.735	3.687	10	10	KHCE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	101965102	YEWUHMHOPXLRTM-QTISIFFUSA-N	538.962	3.626	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	103707521	YHLWIGARCYPGJY-CJLVFECKSA-N	535.695	3.949	10	10	KHCE	
COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	103849744	OOESKLAHMWJLBV-SDQBBNPISA-N	592.102	3.710	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011348	SLRAPBVOQCTFKB-AUSIDOKSSA-N	504.587	3.534	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCCN2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1864011511	IUCZMTGKXSWISJ-SANMLTNESA-N	531.657	3.646	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2	1864018272	HLDKWFSNCOJBFZ-HSZRJFAPSA-N	501.587	3.942	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864018752	BZNAGKYXFSXYCR-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1865025904	FFIWOYYJONUWOB-HSZRJFAPSA-N	527.021	3.620	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4CC(C)C)[C@H]3c3ccc[nH]3)CC2)cc1	1865609113	MSXBTGABLHVBOO-HXUWFJFHSA-N	544.578	3.938	10	10	KHCE	
Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1	1867547519	QTCHZCAWSQGNNJ-VEEOACQBSA-N	611.743	3.604	10	10	KHCE	
CCCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868821892	QFDFMLWNKPONTM-RRPNLBNLSA-N	510.654	3.823	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccc5c(c4)OCO5)n(-c4ccc(C)cc4)n3)CC2)cc1	1869970763	WYDULHXLANMDAX-UHFFFAOYSA-N	512.570	3.892	10	10	KHCE	
CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870752239	WGGGVGCDWMQXIF-UHFFFAOYSA-N	504.631	3.833	10	10	KHCE	
CCCCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873581820	CXMWCCRVFHXFJL-UHFFFAOYSA-N	508.667	3.849	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1	94313253	HGBZBLPEFVMINN-BCCBPGDESA-N	772.638	3.522	10	10	KHCE	in-vitro
CCOc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(I)c1OCC(=O)O	100225703	KFDWUUAFMGLWFF-LZYBPNLTSA-N	551.293	3.868	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccccc1OC	254293326	QYRHTLJRINGOFA-VWLOTQADSA-N	505.640	3.653	10	10	KHCE	
Cc1cccc(NC(=O)[C@@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1C	1860827151	UAFGFJFLUIADFA-MSVBSMQLSA-N	509.609	3.723	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc1	1862105375	RHRYBDFGYVBZJI-MHZLTWQESA-N	515.589	3.709	10	10	KHCE	
CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2	1864010174	JIKHHSLXDCIYRI-IBGZPJMESA-N	513.392	3.829	10	10	KHCE	
NC1=C(C(=O)NCc2cccnc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864015947	XNYHYWLSIVUSRF-LJQANCHMSA-N	523.471	3.708	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864017279	JEDKREVDKRFERA-XMMPIXPASA-N	526.549	3.586	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864022036	JGWXMVOQHPPBFL-KPZWWZAWSA-N	518.492	3.914	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N(C)CCO)[C@@H]3c2ccc(O)c(O)c2)c1	1865032160	WZBAJZHCCYMPIZ-RUZDIDTESA-N	540.620	3.772	10	10	KHCE	
COc1cc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(Br)c(OC)c1OC	1865883622	JTHKFPSGMIVUKV-LJQANCHMSA-N	503.397	3.794	10	10	KHCE	
O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nn1	1867272373	HGNOQGFYILANMK-JOCHJYFZSA-N	510.937	3.885	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867423349	PUEUWAQQXJONEN-NSOVKSMOSA-N	561.727	3.856	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1	1868764033	GBPAZGHTBLVOAH-PIKZIKFNSA-N	519.617	3.795	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCCn5ccnc5)ncnc4n3Cc3ccco3)CC2)cc1	1875234819	AIYVVKKUPHLQCP-UHFFFAOYSA-N	540.628	3.742	10	10	KHCE	
O=C(O)CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	2296711308	LTKGPRUPJDKBKH-UHFFFAOYSA-N	516.000	3.762	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)CC2)cc1	2296730220	JFZXPRGFEWPSIU-JOCHJYFZSA-N	577.732	3.718	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12	2297312681	OBIIUDOCSOFAGU-UHFFFAOYSA-N	563.705	3.663	10	10	KHCE	
COc1c2c(c(O)c3c1[C@H](OC(C)=O)Cc1cc4c(c(O)c1-3)C(=O)O[C@@H](C)C4)C(=O)c1cccc(O)c1C2=O	3916002	KPZZVJIBEBNPBQ-MGPLVRAMSA-N	530.485	3.516	10	10	KHCE	biogenic
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)c(OC)c3)C(=N)N21	104561037	NJMJEQXUUHIXLX-NLPPSYTOSA-N	528.612	3.554	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1	1081156741	BVKLREPTKLZSJP-AIBKJFCZSA-N	553.706	3.539	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCOc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1	1864008041	AQYKBYQZLZVIPS-VWLOTQADSA-N	512.566	3.790	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1864010619	ABYSHTHMFSINJU-XMMPIXPASA-N	506.603	3.505	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3ccc(F)cc3)CC2)cc1	1865514042	KCVGTHPWMZWQCS-AREMUKBSSA-N	540.599	3.767	10	10	KHCE	
C[C@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867090305	LRBOGJCTYXRFIT-ZDUSSCGKSA-N	500.461	3.887	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(-c4cccnc4)n3)CC2)cc1	1869376402	RPFUKJQQZJSFPS-MUUNZHRXSA-N	539.615	3.690	10	10	KHCE	
O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891818230	UIVCVGNGCXJFNN-VJBMBRPKSA-N	512.639	3.924	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccccc3[N+](=O)[O-])c3ccccc3)CC2)cc1	2328610540	MHJVZNHRPXKGHB-MHZLTWQESA-N	500.555	3.823	10	10	KHCE	
CC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1	255963045	ASDREVVGQFYRTH-UHFFFAOYSA-N	593.003	3.871	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(OC)cc3OC)CC2)cc1	1861927030	HKKROAMICOTVPC-AREMUKBSSA-N	521.589	3.541	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1	1861958398	HIBLULIOVOUTJP-CFWGEQFBSA-N	514.582	3.693	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864010375	LSNNBTYDPDXPCQ-XMMPIXPASA-N	511.582	3.950	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865030958	VUXFIFRWFYGQPK-RUZDIDTESA-N	549.647	3.681	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3c[nH]c4c(I)cc(Br)cc4c3=O)CC2)cc1	1866451994	IKOZAWOJLDUATF-UHFFFAOYSA-N	568.209	3.866	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866899331	XRDUBMVHIPTEMU-AREMUKBSSA-N	564.642	3.668	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c(OC)c1	1873425992	QQEXNANXJDLMRT-UHFFFAOYSA-N	530.625	3.636	10	10	KHCE	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	2042441591	ZKMYSEDWIQEEFX-LJQANCHMSA-N	560.028	3.780	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1	2297346093	CIURDJBXNXSXOF-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
O=C1C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2314504510	XHBYZLPAHIXJOK-ZDUSSCGKSA-N	534.040	3.529	10	10	KHCE	
CC(=O)OCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	9641277	NSGIVQVYZSQAMF-UHFFFAOYSA-N	500.511	3.570	10	10	KHCE	
O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S	15040517	RFOGCGNOICHCSO-VBKFSLOCSA-N	515.451	3.897	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1cccc(C)c1	104559679	SBXRYBJYADGOHA-BRKMNUETSA-N	547.014	3.888	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1	1862173059	ZYSQENWGVUASLC-RUZDIDTESA-N	509.647	3.720	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864007579	PVJPJBBCIWJDMO-SANMLTNESA-N	536.592	3.912	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(O)cc1	1865120410	CGSLCFQBZOMVMI-FQEVSTJZSA-N	543.546	3.679	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccn1C	1865351923	ITUBQMLVMNPEAY-HXUWFJFHSA-N	544.578	3.702	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3ccc[nH]3)CC2)cc1	1865594244	VRYUUVATEQKVNB-AREMUKBSSA-N	524.625	3.620	10	10	KHCE	
CSCC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866851392	FRIJYYOIQDJUDF-OAQYLSRUSA-N	502.596	3.554	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868624922	DOFXYKXDTSXEGC-VWLOTQADSA-N	563.120	3.526	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3snc4ccccc34)CC2)cc1	1869057292	MSKSGFHZKJKKAW-RUZDIDTESA-N	500.624	3.995	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(OC)c3)CC2)cc1	1874642902	PWFWVWQBZSRLBE-NDEPHWFRSA-N	512.610	3.875	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)cc1	2313518616	LNNPZSWWBYWQQJ-UHFFFAOYSA-N	604.138	3.667	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	1450032	SPLWJJDQBUUVRK-LTGZKZEYSA-N	505.669	3.939	10	10	KHCE	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1	1900020	LPTIDSADSSXPLA-RCCKNPSSSA-N	556.691	3.856	10	10	KHCE	
CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	40066476	MMMSYSCWMPYORI-BKUYFWCQSA-N	512.657	3.907	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	100851052	REICCAGLMQGCLD-UIPCJRQQSA-N	550.662	3.747	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)cc1	102464401	JMSLUBBMAKRKTM-DRAMHWHOSA-N	526.596	3.562	10	10	KHCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	210722580	ZOZUCRRXLMLAQV-MJOZVEEZSA-N	501.655	3.900	10	10	KHCE	
CCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O	1084086466	NSSHIMRUGKRIMZ-WJDWOHSUSA-N	616.193	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(Br)cc3)CC2)cc1	1862040263	GAPAJGAUKUGLSM-OAQYLSRUSA-N	506.466	3.658	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864008687	PUWFALKIIMTQDR-VWLOTQADSA-N	519.646	3.584	10	10	KHCE	
C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867779101	CGBWYBRDZNSGSA-IDISGSTGSA-N	536.677	3.723	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868945488	RHNXXTFNMQGUAT-XMMPIXPASA-N	537.636	3.881	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296275688	NMJATGQEJXRFGD-UHFFFAOYSA-N	535.695	3.567	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)nc(OC)n1	2297511492	PKTYAOBSXVOQTE-UHFFFAOYSA-N	528.978	3.667	10	10	KHCE	
COc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccccc2)CC1	2297632332	GXUUMKUXPDWWEX-UHFFFAOYSA-N	532.691	3.899	10	10	KHCE	
CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1	101398124	LRONTLYAYLZYEM-NFBUKIRSSA-N	533.031	3.981	10	10	KHCE	
CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O	102849080	WVVHHZBWPCEYNW-LZNAANCOSA-N	501.033	3.932	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCCOc3ccccc3)CC2)cc1	1862221595	PLBCIMPMLSYZSZ-MUUNZHRXSA-N	501.627	3.931	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1	1864008487	LFZBFXQRWJXAAG-OAQYLSRUSA-N	543.418	3.592	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864011188	RKYKCLCEUVJQGI-RUZDIDTESA-N	513.598	3.508	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864014484	WCAHIUVHQPEQTG-HSZRJFAPSA-N	513.683	3.836	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(Cl)c3)c2O1	1864015713	DGWURGZYLARLLE-QHCPKHFHSA-N	547.011	3.856	10	10	KHCE	
NC1=C(C(=O)NCCCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864016862	ZAUDRTNPQQRFFM-RUZDIDTESA-N	540.620	3.983	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1	1864018944	FGXOBQDDCKYPII-IBGZPJMESA-N	513.392	3.829	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864021640	DNGKUPCAZOGVCM-GOSISDBHSA-N	518.492	3.613	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864023082	UGUONUBJXKERNM-DEOSSOPVSA-N	542.592	3.725	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865033341	XNZROOUKVBLSHA-QHCPKHFHSA-N	538.048	3.747	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865654794	RXHKCTMBQYBYMB-DEOSSOPVSA-N	501.631	3.733	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867695254	ZSDNJYJUXYSIDI-WDYNHAJCSA-N	666.310	3.622	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCNc3ccccc3OC)CC2)cc1	1868798061	IYYJWIQZCKFAAO-HHHXNRCGSA-N	516.642	3.582	10	10	KHCE	
CCN(CC)CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1	1871494999	DFUUHCAAKJGMBI-UHFFFAOYSA-N	518.710	3.671	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OCC)c3)C2=O)cc1	100241327	OUKUPMBLORLYDC-MHWRWJLKSA-N	536.322	3.764	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	104559511	KFBXWPIVWDZIJJ-QOOLADICSA-N	540.623	3.833	10	10	KHCE	
CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990696	VKQPQTNWBPHHEV-WNCULLNHSA-N	510.654	3.680	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864012155	SPZLJYDHEBBWNF-VWLOTQADSA-N	530.556	3.680	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3Cl)CC1)[C@@H]2c1ccc(O)c(O)c1	1865027470	YTKLRBKVOKOVDM-HSZRJFAPSA-N	524.021	3.710	10	10	KHCE	
COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccc(OC)c2)n1	1867992253	RMSFFGTWCSTWOQ-UHFFFAOYSA-N	507.635	3.587	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868652488	SVXCQQMJHGZEQO-GDLZYMKVSA-N	520.630	3.843	10	10	KHCE	
COCCn1c(C(=O)N(C)Cc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873557636	VRHLUWOSJPCDJX-UHFFFAOYSA-N	514.630	3.685	10	10	KHCE	
COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S	2399944	XFDDVISNLRNXOQ-RCCKNPSSSA-N	528.681	3.637	10	10	KHCE	
CCN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	33592442	CZOKWUGWZGCLJY-RGVLZGJSSA-N	516.417	3.858	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	254395602	PDTXLYOTDYQHRO-SANMLTNESA-N	557.628	3.677	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1	1862072312	JIMLDLKVKOFKPF-NDEPHWFRSA-N	514.601	3.934	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018794	QXJKRJQLFIPVBQ-JOCHJYFZSA-N	545.011	3.933	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3Cl)CC1)=C(N)O2	1865029039	DTTAPRCBCQBNAK-XMMPIXPASA-N	538.048	3.956	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3Cl)CC1)[C@@H]2c1ccc(O)c(O)c1	1865034222	RQXOWCIHANHPED-GOSISDBHSA-N	549.937	3.547	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3nonc3OCC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1	1872678184	QVPWJNWQWRMCNO-UHFFFAOYSA-N	513.554	3.784	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccccc1	2297345038	KEPIJGMIMNRCHX-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(Cl)c3)C(=O)N=C2S1	2297346328	WAAAWEJOEPIPMG-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)N1CCOCC1	2314764618	HVDANALCAYALPZ-UHFFFAOYSA-N	562.069	3.523	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(Nc4nc5ccccc5n5cnnc45)c3)CC2)cc1	101361642	ANAJEDJROQAVRY-UHFFFAOYSA-N	536.640	3.972	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2	1864013563	CMOGOAJLUXZPII-XMMPIXPASA-N	514.582	3.582	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@H](C)O[C@@H](C)C2)=C(N)O3)cc1	1865032339	AMVRGNVJDPGJPK-XFAGBWLFSA-N	548.640	3.956	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2coc(C)n2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867227060	IMNNOOMJDHOGIS-AREMUKBSSA-N	551.555	3.592	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)CCc4cccc(NC(C)=O)c4)n(C(C)(C)C)n3)CC2)cc1	1869970218	FUJVLOFDHWVEIL-UHFFFAOYSA-N	519.650	3.898	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	2314401427	YELZPWLIJRHIKH-ROUUACIJSA-N	566.705	3.769	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	2314765087	UNUNUBNKHVZDTR-UHFFFAOYSA-N	606.520	3.632	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4cccc(C)c4)c(OC)c3)C(=N)N21	101395414	MGWZANYQJAAYNB-OQZKWKKUSA-N	542.639	3.863	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1	104563584	QKDLPVBRMBJMQF-PWSGBSGUSA-N	543.583	3.582	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1	210747672	YPJPARQSIJLVIY-XMHGGMMESA-N	507.634	3.873	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252672291	PVDUULJKXUQOTR-NRFANRHFSA-N	668.351	3.937	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)CCCN4C(=O)c5ccccc5C4=O)CC3)cccc21	1860595991	HKHKJDMLIBJFBY-UHFFFAOYSA-N	549.583	3.716	10	10	KHCE	
COc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1OC	1860596790	RFTRTBSKIRFXIC-UHFFFAOYSA-N	512.562	3.899	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864013418	WUPXEQBVJYPGHF-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865027387	XJWVBAYCVANPMS-DVECYGJZSA-N	539.032	3.763	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867278439	ILZLOZHVEONASQ-XTEPFMGCSA-N	532.600	3.826	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1	1867923873	VJEIZAOSIJJKRA-OAQYLSRUSA-N	515.035	3.534	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)CC2)cc1	1868991375	VRSZHFXTRNLYOP-HHHXNRCGSA-N	538.652	3.614	10	10	KHCE	
CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870424610	MXCXUMRVRKKZNQ-UHFFFAOYSA-N	520.630	3.534	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1	1871648259	FELLUUQOVDLNHE-UHFFFAOYSA-N	518.021	3.765	10	10	KHCE	
Cc1ccc(CN2C(=O)C(NCCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873170332	VWDMAUVCSBOESM-UHFFFAOYSA-N	512.654	3.995	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	2296697913	ZAVZKCZOPCYYJA-UHFFFAOYSA-N	535.695	3.555	10	10	KHCE	
CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526312206	QOACQCWQAQKRTC-XMMPIXPASA-N	510.568	3.837	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864009418	HAHQKTNKWYHHRP-HSZRJFAPSA-N	544.027	3.596	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865029493	ORHVVIJGTXMOLJ-QFIPXVFZSA-N	525.005	3.567	10	10	KHCE	
CSCC[C@@H](NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866569104	AJLHSUOUKRTORT-HXUWFJFHSA-N	507.637	3.954	10	10	KHCE	
COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1	1873421098	GRWQJQOLPUJFAJ-UHFFFAOYSA-N	514.626	3.953	10	10	KHCE	
Cc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1	2293763572	KWGPASYYTLEJIW-UHFFFAOYSA-N	506.565	3.974	10	10	KHCE	
CC(C)CN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2296706027	NIKDINOUBHIVDH-UHFFFAOYSA-N	519.696	3.874	10	10	KHCE	
COc1c(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	2297639056	VVTLLWDLUBWXFI-UHFFFAOYSA-N	559.550	3.540	10	10	KHCE	
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCc3ccccc32)c2ccccc21	20438553	YHFBLIUNGAHYNF-MOHJPFBDSA-N	514.607	3.656	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N	33450752	WVSHMKRWXFTZTR-HYARGMPZSA-N	507.685	3.749	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=N)N21	96460235	KHLHFYKNPVUDDV-JNCKMBBWSA-N	507.597	3.732	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(c6ccco6)SC5=NC4=O)cc3)nc2s1	101498148	YMQNAOJBAAINDI-SSOZYACPSA-N	531.579	3.553	10	10	KHCE	
CCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)C[C@@H]1C	102970507	QGJXCRYNCPLZOX-FQEVSTJZSA-N	561.152	3.807	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252677602	ZGMSUUSKYIQLNK-MHZLTWQESA-N	548.709	3.719	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5cccc(OC)c5)[nH]c4c3)CC2)cc1	1862079547	HIVSULMZQLWEGE-LJQANCHMSA-N	513.598	3.714	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864009059	YMTGUOAVRMACOW-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2	1864009469	HYGOLMSMTAILCR-OAQYLSRUSA-N	500.958	3.910	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864018222	GDFBNMBAQZICIW-RUZDIDTESA-N	549.647	3.731	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864019101	GKLXAWMSONRJNQ-OAQYLSRUSA-N	512.994	3.737	10	10	KHCE	
CC[C@@](C)(NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869066371	XXIYAULEBAARDS-XMMPIXPASA-N	503.525	3.609	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)nc4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970368	OQJDXXXLXYHRGV-UHFFFAOYSA-N	519.993	3.912	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N4CCc5cc(OC)c(OC)cc5[C@H]34)CC2)cc1	4790573	BXTQQJMBMRVAHL-URLMMPGGSA-N	527.621	3.898	10	10	KHCE	
CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	143236588	SFPJFDIYARBDIX-HAHDFKILSA-N	556.710	3.958	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1	210678768	DWPIAMXURMJXKS-KGENOOAVSA-N	525.633	3.966	10	10	KHCE	
CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3ON2CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	248075843	UEYVLINHPRRZIB-YPKYBTACSA-N	573.738	3.508	10	10	KHCE	
CCOC(=O)N1CCC(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)CC1	1860761123	MTUOVPIGDCKXLC-UHFFFAOYSA-N	501.605	3.803	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2	1864010668	VIUUDAFVEXXSAN-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865017285	IIXFEUIFLMFNGU-XMMPIXPASA-N	501.631	3.908	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@@H]5C4)nc(-c4cccnc4)n3)CC2)cc1	1869370342	LFJYDRAGSBDYMW-NDEPHWFRSA-N	565.653	3.959	10	10	KHCE	
CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873650551	OUDWKDBXKBRHPF-UHFFFAOYSA-N	500.559	3.767	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1	2297476558	WQVQEUVWTZPCAX-UHFFFAOYSA-N	546.677	3.792	10	10	KHCE	
CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc32)SC1=S	2533476	NESRWKDJCRXNPN-ZNTNEXAZSA-N	561.689	3.841	10	10	KHCE	
CCc1sc(NC(=O)C(=O)N=c2[nH]nc(C)s2)c(C(=O)OC)c1-c1ccc(Br)cc1	1860764983	GYANPOMXAHFQMR-UHFFFAOYSA-N	509.407	3.686	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5cccc(OC)c5)[nH]c4c3)CC2)cc1	1862079545	HIVSULMZQLWEGE-IBGZPJMESA-N	513.598	3.714	10	10	KHCE	
CCCc1nc2ccc(C(=O)N[C@@H](CCSC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1	1862109063	LPPTZMJPSHQMAF-QHCPKHFHSA-N	509.676	3.724	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864011303	GHCZMORLDHEUSP-VWLOTQADSA-N	537.636	3.723	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864013325	VWUKYBQICSXRJB-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864013707	ZCVRHSIFMWWWAL-XMMPIXPASA-N	527.581	3.521	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCCO)[C@H]2c1ccc(O)c(O)c1	1864015129	JYNAZLYYAZGUQO-QFIPXVFZSA-N	506.603	3.591	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCN(c4ccccc4)CC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865027033	DHDHBSVAPGMRHZ-MHZLTWQESA-N	537.620	3.944	10	10	KHCE	
COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1865029082	FSZKJJCXHLVSMZ-AREMUKBSSA-N	544.608	3.561	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865031068	YFRANHVJRBQNSA-HSZRJFAPSA-N	539.032	3.626	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865034533	YQKWHYCIJVMGPO-LJQANCHMSA-N	514.504	3.987	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865038363	VHTXSSUPFMTGTO-XMMPIXPASA-N	514.582	3.535	10	10	KHCE	
CSCC[C@H](NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866569103	AJLHSUOUKRTORT-FQEVSTJZSA-N	507.637	3.954	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866906695	WGCMSCWSRZFHMB-HKBQPEDESA-N	525.605	3.765	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867522373	XVQULSBEJKYJSM-LHXZUMEBSA-N	591.753	3.627	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868983822	CONGFBLWIFLMIF-LJAQVGFWSA-N	516.646	3.740	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OC(=O)c4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	101399102	DLWNWOGTYAOBKF-BRKMNUETSA-N	547.014	3.888	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(OCC)c3)C2=O)c1	1084514749	MKKJFVYMTKLXSG-SXGWCWSVSA-N	577.384	3.775	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015704	DDIFCOZTZWMWJJ-DEOSSOPVSA-N	543.599	3.521	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1864023222	VZRKKYAYJGLPGK-FQEVSTJZSA-N	540.498	3.913	10	10	KHCE	
CCCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866856206	HABWPNXNMCYHIV-JOCHJYFZSA-N	519.504	3.992	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc3C2)n1	1867952979	HWOMLTAUOAHUIV-UHFFFAOYSA-N	519.646	3.581	10	10	KHCE	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	101909615	WQRKKORVFUHUQN-ALFKQNEGSA-N	577.725	3.826	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S	105468734	OWZWHTHKSOYHBE-JJIBRWJFSA-N	551.738	3.515	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCCCN(C)C)=C(N)O3)cc1	1864017362	KLXPHUBTMQELMY-DEOSSOPVSA-N	549.672	3.779	10	10	KHCE	
CCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1	1865276452	PREKZGLSPKHAFK-RUZDIDTESA-N	517.630	3.662	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccc(OC)c3)CC2)cc1	1865577404	YTEBSSBYWCXZEO-AREMUKBSSA-N	531.657	3.908	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(OC)cc1	1865635145	MSOVXKSNJUUQNY-VWLOTQADSA-N	517.630	3.662	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1	1868688545	NJOMSCJQBXPYNL-FTJBHMTQSA-N	553.725	3.937	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2)cc1	1868893199	BUIQUOUYKKMOGZ-XMMPIXPASA-N	563.724	3.992	10	10	KHCE	
CCN(CC)CCNC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870975338	ODPLVPHPLYTLEM-UHFFFAOYSA-N	521.662	3.687	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1cccc(C)c1	2297345034	JYKDTCVWCGSYAB-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OC(=O)c4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	2297346106	DLWNWOGTYAOBKF-UHFFFAOYSA-N	547.014	3.888	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314764839	NPFUTLUNFHEZBO-UHFFFAOYSA-N	606.520	3.550	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314828546	GQNZASNXPPNNHJ-HXUWFJFHSA-N	589.761	3.696	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314829313	XLSWCVWJTJYQBF-DJPFJPOOSA-N	560.719	3.829	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1	2283201	LMUCQQCPFFZGBD-HZHRSRAPSA-N	525.517	3.557	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(C(C)C)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N	33812472	VRWXNRDJAMHDKD-BKUYFWCQSA-N	511.648	3.641	10	10	KHCE	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1I	102037506	UXDJZROCUXRLQE-QPEQYQDCSA-N	543.180	3.894	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(Cl)c(C)c1	104558641	LIRSJZCSYZREEY-SVBOREBNSA-N	549.030	3.736	10	10	KHCE	
Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O	248118035	QLPQVLMZHYDQDR-FAWUNYRSSA-N	580.391	3.888	10	10	KHCE	
CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2CC)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862187113	GRNOTGJSFMQLLA-BVAGGSTKSA-N	520.674	3.553	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865030061	BNGRIKKIYURKST-XMMPIXPASA-N	520.630	3.619	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(F)cc1F	1865416453	YYZFNJPQASELGI-QHCPKHFHSA-N	509.557	3.542	10	10	KHCE	
C[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867090304	LRBOGJCTYXRFIT-CYBMUJFWSA-N	500.461	3.887	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1	1871490523	OKXWMRIBTRHASW-UHFFFAOYSA-N	506.010	3.961	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc(OC)c1OC	2297306914	FIEDTQRUMWYMJP-UHFFFAOYSA-N	561.707	3.982	10	10	KHCE	
CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)c1	2297346516	TZYUFEIKVZJNHE-UHFFFAOYSA-N	514.585	3.771	10	10	KHCE	
Cc1c(N2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	100850967	GNZAITJMAYAIBX-QVEFSTLPSA-N	588.715	3.512	10	10	KHCE	
O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	101013172	KPHMVXIINRDJNV-QJOMJCCJSA-N	598.728	3.626	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1	101399123	LDPUDFLMFSXGKH-BYCXBGHRSA-N	539.016	3.641	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	102390780	PZRAAVNPLCVHHY-QCBCRBAMSA-N	530.693	3.502	10	10	KHCE	
CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110076015	IUUWPDWOMPQHJM-UYRXBGFRSA-N	532.651	3.638	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(F)cc1	1084545875	KXLFAPXZXZCWCU-RUZDIDTESA-N	523.630	3.792	10	10	KHCE	
CCC[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862069924	WALFCDCMSQOZIG-RUZDIDTESA-N	501.631	3.617	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015658	USBRCMBYLQICNF-HNNXBMFYSA-N	539.308	3.896	10	10	KHCE	
CCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1	1865031932	RPSLKDNGYZXOKN-RUZDIDTESA-N	537.620	3.809	10	10	KHCE	
CCc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1	1865496583	VZKRBAQLSWBEHR-VWLOTQADSA-N	501.631	3.826	10	10	KHCE	
CCc1ccccc1OCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862279483	QEGOUJPNGDHDDC-MHZLTWQESA-N	519.617	3.852	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3c(F)cccc3Cl)CC2)cc1	1862299672	LJNSSVRYJOLGPE-XMMPIXPASA-N	511.981	3.883	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864012600	DTGNSMVSHQABDZ-MBSDFSHPSA-N	539.032	3.938	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1	1864015816	WDLZFIMOGHFVHZ-INIZCTEOSA-N	506.868	3.929	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2	1865030033	ASXNYZVHKZYTJZ-XMMPIXPASA-N	517.630	3.619	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1C	1865651182	JRNLAWKGXWEOOO-RUZDIDTESA-N	501.631	3.962	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869032966	LDUTUFDQROZVKG-DWACAAAGSA-N	527.621	3.537	10	10	KHCE	
COCCNC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870967718	UQIPFEZKDXIJKA-UHFFFAOYSA-N	513.598	3.789	10	10	KHCE	
COCCn1c(C(=O)NCc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873592823	SDWQICFTCKDCKM-UHFFFAOYSA-N	514.630	3.651	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	2297460219	ADQJCNSCAYRTPV-UHFFFAOYSA-N	549.678	3.683	10	10	KHCE	
COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1Cl	2297468661	OTLIQPJADGCCBJ-UHFFFAOYSA-N	541.033	3.624	10	10	KHCE	
CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(N5CCCC5=O)cc4)n3)cc21	11857926	XYMMKIASLBUUEV-UHFFFAOYSA-N	512.613	3.873	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1C	96459920	FFBLCGJWIHCCSS-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12	101397012	GESWQCPUSCNEAY-QDLOHUEYSA-N	520.548	3.836	10	10	KHCE	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC(F)F)c(OC)c4)c(=O)n32)cc1	101578724	PBTPFZVKFALCOG-FCKOQQNDSA-N	557.619	3.864	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N([C@@H]3CC(=O)N([C@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	1772759300	JUAYGWLUCJZDJD-YXVSENIASA-N	561.037	3.729	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864008840	SYUCSLCKFKMYSJ-DEOSSOPVSA-N	500.530	3.801	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCC3(CC1)OCCO3)[C@@H]2c1ccc(O)c(O)c1	1864015508	AQIYUSYVCMOANF-HSZRJFAPSA-N	546.624	3.868	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@H]2c1ccc(O)c(O)c1	1864023302	XSYBJHMVWZAPOC-INIZCTEOSA-N	508.884	3.997	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800260	SDNMUQFQHMVBRJ-UHSQPCAPSA-N	538.693	3.969	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3snc4ccccc34)CC2)cc1	1869054894	QLCDCJACKWJTSB-HHHXNRCGSA-N	558.660	3.920	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1	2297346134	GPYVRXWBPPGFGL-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
COC(=O)c1cc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCOCC4)cc3)C2=O)ccc1Cl	2297561661	ROQVDAACRHUCBF-UHFFFAOYSA-N	515.975	3.638	10	10	KHCE	
Cc1ccc(OCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1	96459534	DSPDYARQFLLVPN-DMNVVODESA-N	507.597	3.650	10	10	KHCE	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S	100850591	SSJJBXLUAQPKSY-XTQSDGFTSA-N	601.795	3.606	10	10	KHCE	
CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101378748	MQAOYXFACDELMN-NLRVBDNBSA-N	562.692	3.582	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@@H](C)O1	102844124	VCVLUHHNFKQZQR-GLXMVNEWSA-N	551.694	3.869	10	10	KHCE	
Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	105638807	LVQSHEUXPZQIDS-BKAYVGFPSA-N	543.717	3.851	10	10	KHCE	
CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3sc(=Cc4ccc(N(C)C)cc4)c(=O)n32)ccc1OC(C)=O	254302893	AIRCXDQJFHQZPX-MUUNZHRXSA-N	577.703	3.824	10	10	KHCE	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O	1084125122	CLSNBTWYLFOJTL-BKUYFWCQSA-N	501.495	3.719	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1	1085194902	HGBZBLPEFVMINN-NASUMFQASA-N	772.638	3.522	10	10	KHCE	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1C	1858624926	YAVJTYBEUAPUNA-UHFFFAOYSA-N	503.580	3.617	10	10	KHCE	
CCOc1ccccc1OCC(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1	1862178093	YBLNJZNFDGDDSU-MUUNZHRXSA-N	503.599	3.679	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864017097	FMAYZCLVWBMRLH-LJQANCHMSA-N	519.385	3.610	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1[N+](=O)[O-]	1865614419	FTEDJBHETLZAHM-XMMPIXPASA-N	532.601	3.562	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1	1869131124	UENHKPWERARXKW-UHFFFAOYSA-N	515.618	3.548	10	10	KHCE	
Cc1c(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)c(=O)n(-c2ccccc2)n1C	2296652662	WTDBGBVBRCQOKU-UHFFFAOYSA-N	527.425	3.975	10	10	KHCE	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C	2296938673	MRIJIIHIAVOHLG-UHFFFAOYSA-N	519.587	3.942	10	10	KHCE	
C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	2297509016	KTVDEJUVDNFNOY-NRFANRHFSA-N	562.692	3.580	10	10	KHCE	
Cc1cc(C)cc(OCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	96459712	MVWUKUBVKYLTKF-RQFVJUFOSA-N	521.624	3.958	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c1	101013575	OKRBMZJMFGNJNV-JWGURIENSA-N	606.773	3.659	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1	101965123	AYWAPGYMDDXZJF-RSFAQHHSSA-N	579.450	3.904	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864011871	ZHZKDTZDHQKMIG-NRFANRHFSA-N	512.994	3.737	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865031157	ZYYDJFJGKPVHBP-XVTZWQNCSA-N	536.604	3.765	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865032028	UDYCECNYTDDMIX-BSRJHKFKSA-N	518.614	3.948	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865371724	OMFDEJZPPDARIT-RUZDIDTESA-N	526.641	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3cccnc3)CC2)cc1	1865386998	AWHPUAKZAOPXNC-AREMUKBSSA-N	522.609	3.628	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(F)cc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865414721	DXJBQRJUMDRRFV-QHCPKHFHSA-N	523.584	3.703	10	10	KHCE	
CC[C@@H](C)c1ccc(NC(=O)COc2nonc2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1872629695	JRWYGEJITJRFHF-LJQANCHMSA-N	507.591	3.501	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3F)CC2)SC1=S	33458889	JMRFJKPVFJSDKX-KGENOOAVSA-N	511.648	3.642	10	10	KHCE	
Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	105638788	YDLUBHIEPLRNCT-JQFNYASXSA-N	529.690	3.542	10	10	KHCE	
CCC[C@@H](NC(=O)C1CCN(Cc2cccc(F)c2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861977437	GJPSEIHMKYSXBV-HHHXNRCGSA-N	510.654	3.680	10	10	KHCE	
Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C	1867575446	FDBWHBFYDYAVTE-SMCANUKXSA-N	611.743	3.604	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1	1867790078	JCDRMETXHBOLMU-NDKRRWIDSA-N	644.773	3.888	10	10	KHCE	
CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc32)SC1=S	2296538228	HBVSJJASGJZRJA-UHFFFAOYSA-N	509.609	3.830	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2296845299	XOOFMOSSQNDFOK-UHFFFAOYSA-N	505.669	3.628	10	10	KHCE	
O=C(O)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	2296846497	RGKYMALBZMHHJV-UHFFFAOYSA-N	554.675	3.610	10	10	KHCE	
O=C1C(=Cc2c(Sc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2314400145	IRXVOWAWTUTOFC-CQSZACIVSA-N	550.108	3.887	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC	2997082	BAFRERBUBWOTGJ-CVGPFBNFSA-N	556.482	3.635	10	10	KHCE	
CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3)CC2)SC1=S	39989851	SPQPOAOMKBATSE-JWGURIENSA-N	507.685	3.986	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=N)N21	96460581	RYNLWQUIGQAXAO-MRDWGVERSA-N	506.009	3.768	10	10	KHCE	
Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	100137566	UUQCQCPDDFIDRZ-MLPAPPSSSA-N	554.216	3.815	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)cc1	102464307	LKMHTRNKYXEYNE-VTPTUSAFSA-N	531.594	3.936	10	10	KHCE	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1C	1858624838	PGJPXMPGXDQFLO-UHFFFAOYSA-N	503.580	3.617	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864010292	RIMFQQDADYKSMI-JOCHJYFZSA-N	530.984	3.679	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864011832	ZBCGSLWCFJVUPN-JOCHJYFZSA-N	527.021	3.863	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864012915	MCKKKTQNFIAQNW-XMMPIXPASA-N	520.630	3.841	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1	1865032043	UHJYLDLSUPZMEI-QGZVFWFLSA-N	536.894	3.509	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865032877	NFUPHGMNGQDJFT-QHCPKHFHSA-N	504.587	3.808	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(OC)cc1	1865642530	UDCZAJNJXGIXPK-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1OC	1865927241	JNKFCRSIOBDDJT-AHWVRZQESA-N	522.690	3.504	10	10	KHCE	
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867917437	IYNPAXOVHCHIPJ-LOSJGSFVSA-N	512.720	3.956	10	10	KHCE	
CCOc1ccc(-c2nc(N3CCN(C(C)=O)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1867994737	HMFMUFXDRYGCAQ-UHFFFAOYSA-N	516.646	3.546	10	10	KHCE	
COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1	1873425787	LRTRWUKTNKGXDD-UHFFFAOYSA-N	530.625	3.636	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	2296169429	QMUMPVJLTBIQSO-UHFFFAOYSA-N	567.668	3.822	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1	20208334	XQIKCNLNJLBIHS-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CN2C(=O)CSC2=O)cc1	72413096	GYJJZTOMUNZPQS-LJQANCHMSA-N	501.406	3.888	10	10	KHCE	
O=C(NCCc1ccc(O)cc1)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)NCCc1ccc(O)cc1	85881446	XENYXHLAFMZULS-ROJLCIKYSA-N	596.636	3.783	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=N)N21	96460621	WSBWNWGMUFYKFC-BJRGRWSZSA-N	512.613	3.792	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084212863	HYLUSWAKLQMGOU-NRFANRHFSA-N	715.351	3.779	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015580	RYSPIWCAUDWBAX-GOSISDBHSA-N	500.477	3.643	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864015832	WUEBROCDDYYPGH-GOSISDBHSA-N	518.492	3.922	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2	1865032978	OXZXJMVZOZMELV-HJPURHCSSA-N	504.587	3.950	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3cccnc3)CC2)cc1	1865397153	SSIGIAWRQBYAFE-XMMPIXPASA-N	522.609	3.534	10	10	KHCE	
CCC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866626969	QGFOECJIEZMGQT-VWLOTQADSA-N	559.644	3.929	10	10	KHCE	
COc1ccc(N2C(=O)c3ccc(C(=O)NCC(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)cc3C2=O)cc1OC	1868128944	PITNKIFHUSDVFA-UHFFFAOYSA-N	589.560	3.648	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1	1869276506	MBDVTWNRRSTEOV-UHFFFAOYSA-N	516.621	3.677	10	10	KHCE	
COCCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873557422	QXXNMJHRQKYSDG-SFTDATJTSA-N	506.651	3.531	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC	2294133706	BKDIGYAZIWEDSS-UHFFFAOYSA-N	510.138	3.895	10	10	KHCE	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(OCC)cc3)C2=O)cc1Br	2297328883	JFLLTLBEFPONCW-UHFFFAOYSA-N	533.400	3.621	10	10	KHCE	
CCc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)cc1	150662915	UIVZZPRKSAROBZ-AUWJEWJLSA-N	662.243	3.753	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2	1865030831	RUQVOWPHRLZREF-QHCPKHFHSA-N	505.619	3.838	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865033101	ROMZTSMIGPLJOW-HXUWFJFHSA-N	533.412	3.688	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cn(C)c2ccccc12	1865359661	LJVMAKZQMDEJQK-SANMLTNESA-N	526.641	3.755	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(OC)c1OC	1865433335	UNSKGWWJJHXDDO-VWLOTQADSA-N	547.656	3.671	10	10	KHCE	
CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C(=O)OCc2ccccc2)c1C	1865768719	XGEXUXGIWADTIK-UHFFFAOYSA-N	506.627	3.779	10	10	KHCE	
CC[C@H](C)NC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870961928	LOBGWBKPFNOUCY-NRFANRHFSA-N	508.619	3.506	10	10	KHCE	
Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1	2297469616	FFAGQCPHDHCKQE-UHFFFAOYSA-N	503.565	3.825	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc([N+](=O)[O-])cc1	101395783	KZONXIYMAYHFIT-GQZSXMDHSA-N	543.583	3.584	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1	101741820	GAIIRUGTDXJLIK-SFQUDFHCSA-N	557.488	3.915	10	10	KHCE	
CCOC(=O)[C@@H]1CCCN(c2c(/C=C3\SC(=S)N(CCc4ccc(OC)cc4)C3=O)c(C)c(C#N)c(=O)n2C)C1	110519937	XYGCWGRZNDAVTN-ZOLHPDHPSA-N	580.732	3.797	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]23)c1O	248135639	ZOOOSUVDRQBLRO-DUXAABNJSA-N	525.561	3.707	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2	1864010843	PNFSJTQXQQZCII-MPBGBICISA-N	533.412	3.734	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864012391	ZBPPPGQSKOTQFR-VWLOTQADSA-N	514.557	3.844	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3)CC2)cc1	1865015425	JOZNZIKCKRPKJD-VWLOTQADSA-N	501.631	3.900	10	10	KHCE	
C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1865033561	CRQAZXHMUINFEQ-FZKQIMNGSA-N	515.492	3.793	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCCCO)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1	1871525879	WHEWSJNFMKKBSK-UHFFFAOYSA-N	512.058	3.990	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(Cl)c4)cc3)CC2)cc1	1892123486	FLYOAVHXTMFKGA-UHFFFAOYSA-N	500.020	3.790	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1C	2297345931	OOYOSFWSWLJGTD-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	2313557908	OOESKLAHMWJLBV-UHFFFAOYSA-N	592.102	3.710	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)O	2313560917	LMBPGJUVAJWOSD-UHFFFAOYSA-N	523.723	3.631	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	2314400972	SSHTVJTZDFOKSW-OALUTQOASA-N	602.742	3.820	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	2314650380	CZKFOKSFUWDEFH-LLVKDONJSA-N	521.623	3.878	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(CCc5ccccc5)[nH]c4c3)CC2)cc1	1861893971	MTKKOKFVKQBCLK-NRFANRHFSA-N	511.626	3.824	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035259	POCIASLKAYOMET-HYBUGGRVSA-N	536.604	3.502	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccccc3OC)CC2)cc1	1865585843	KRIMXJBKKLUBFD-AREMUKBSSA-N	531.657	3.908	10	10	KHCE	
CCCC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890885	MRPOIZZIDYOJLA-FTJBHMTQSA-N	519.646	3.932	10	10	KHCE	
COCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870606324	LALJJAHKIIUYTK-UHFFFAOYSA-N	507.631	3.803	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC3)nc12	2296707793	LGQKTZNTBZRWGU-UHFFFAOYSA-N	506.609	3.733	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)CC2)cc1	2328579580	SJMUDMFGPULZBO-MHZLTWQESA-N	500.555	3.823	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1	20208401	CIURDJBXNXSXOF-QEEMYTIHSA-N	519.004	3.939	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)c(OC)c1	59595905	BQQCVZTXNRKGLH-GRSHGNNSSA-N	505.552	3.671	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252667687	DFVDCDRRDXVETI-HSZRJFAPSA-N	556.482	3.635	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc1	1861969710	YFSGDKZPQVAUJN-LJQANCHMSA-N	510.443	3.875	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1	1865033785	HZXKJXCUCXWVFT-SFHVURJKSA-N	540.539	3.610	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2296157165	OPRYQQXZDARNBK-UHFFFAOYSA-N	560.360	3.920	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	2297460351	XQLMUFZQNOJEQW-QZTJIDSGSA-N	536.679	3.761	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccccc4C)cc3)C(=O)N=C2S1	20208468	IFWZANUYHRLVLJ-NSRJHJJVSA-N	512.613	3.854	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1	59595436	IICZZJAFHWXOOR-JAIQZWGSSA-N	506.540	3.851	10	10	KHCE	
Cc1nc(N2CCN(c3ccccc3)CC2)ncc1-c1ccnc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1	102372111	BZWMQQVUEAJRIZ-UHFFFAOYSA-N	536.640	3.624	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	207308718	GQNZASNXPPNNHJ-VRMLFSPKSA-N	589.761	3.696	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1	1864016734	WLMIKQXRWNEVOL-HSZRJFAPSA-N	519.646	3.914	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865026478	JYSRQIXPWYEFOX-HHHXNRCGSA-N	537.620	3.631	10	10	KHCE	
CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866807618	WITPABPWDCFGBF-NRFANRHFSA-N	569.035	3.821	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4ccccc4OC)oc3C)C(C)C)CC2)cc1	1868655007	ITAYOGHTQGRFHM-MHZLTWQESA-N	520.630	3.699	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1	1871722063	PNCFJMIPPMYPPH-RUZDIDTESA-N	519.650	3.750	10	10	KHCE	
O=C(CN1C(=O)C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C1=O)Nc1ccc(Cl)cc1	2297464320	YCQWGITXBUWKTP-GOSISDBHSA-N	512.012	3.864	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314754456	SOWSQMAWAQLNBD-UHFFFAOYSA-N	587.514	3.542	10	10	KHCE	
COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1	35638960	SMEMWYUMWRNGEY-RELWKKBWSA-N	509.653	3.803	10	10	KHCE	
Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1	96460036	UWNVDRXNEUTUES-YMINWEEVSA-N	519.004	3.727	10	10	KHCE	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ncc(Br)cc1Br	101350412	HCMNKGLDUJGNET-YRNVUSSQSA-N	500.534	3.839	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2	1864018446	LEYOKCAUELIKFY-DEOSSOPVSA-N	511.582	3.685	10	10	KHCE	
COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1	1871640767	OTZVFJHYFUMBEW-UHFFFAOYSA-N	505.667	3.540	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(C3CCN(C)CC3)C2=O)cc1	1873168308	QMFLULKKLPVRGI-UHFFFAOYSA-N	512.610	3.787	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(CCN(C)C)C2=O)cc1	1873168911	PKTGOEYWGXXDRD-UHFFFAOYSA-N	510.642	3.834	10	10	KHCE	
COc1ccc(OCCCn2cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)cc1	2297345773	ATHXRUWSURLNOZ-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccccc1F	2297346485	NQUWSQHNEMYPRX-UHFFFAOYSA-N	544.586	3.701	10	10	KHCE	
CC(C)OC(=O)c1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	2326944753	NCHMZNYCABHVBY-UHFFFAOYSA-N	510.593	3.845	10	10	KHCE	
CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc32)SC1=S	1744254	HBVSJJASGJZRJA-QZQOTICOSA-N	509.609	3.830	10	10	KHCE	
CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S	33479003	KFTVINGXYXYUEF-LTGZKZEYSA-N	501.722	3.972	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(F)cc1	59600291	KXLFAPXZXZCWCU-XSZPGNIMSA-N	523.630	3.792	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1	1085194903	HGBZBLPEFVMINN-NVOYUETNSA-N	772.638	3.522	10	10	KHCE	
NC1=C(C(=O)NCc2ccncc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864014793	CPLNYGNOPZNXCY-LJQANCHMSA-N	523.471	3.708	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864022088	KNSQRLMHQMFDJV-GOSISDBHSA-N	520.483	3.967	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1	1865031798	OFIUGKWISWRRTO-KRWDZBQOSA-N	536.894	3.509	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865097970	CCHOBGIFYZWJSD-JOCHJYFZSA-N	508.022	3.688	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4CC(C)C)[C@@H]3c3ccc[nH]3)CC2)cc1	1865609112	MSXBTGABLHVBOO-FQEVSTJZSA-N	544.578	3.938	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3ccc(OC)c(OC)c3)C(C)C)C(C)C)CC2)cc1	1868862956	BTDTXWKWFNHBFU-SXOMAYOGSA-N	511.663	3.942	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3F)CC2)cc1	1874642660	KMXMAHWOFVRAGS-MUUNZHRXSA-N	514.601	3.934	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(CC(C)C)C3=O)CC2)cc1	2296696674	KHHKIFSNGPYXQO-UHFFFAOYSA-N	535.695	3.887	10	10	KHCE	
O=C(O)CN1C(=O)C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S	2296848585	HZEPTARESGVFJB-UHFFFAOYSA-N	518.370	3.535	10	10	KHCE	
CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	2297306916	IKGLJHATQXEMBU-UHFFFAOYSA-N	547.417	3.946	10	10	KHCE	
Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	2314399698	BXWLXKBJKBONBQ-UHFFFAOYSA-N	554.097	3.759	10	10	KHCE	
COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)N5CCOCC5)c4)n3)CC2)cc1	36053870	FOMPMZWMYPXVRF-UHFFFAOYSA-N	519.671	3.885	10	10	KHCE	
NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCC4)c3)S2)CC1	101013297	ZXBUBHALGXJMJV-XHPQRKPJSA-N	604.758	3.882	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(N(C)C)cc3)CC2)cc1	1862290013	JRDIOCOMBLQJGB-MHZLTWQESA-N	504.606	3.590	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864008447	KMWNBPNNGMARMR-QHCPKHFHSA-N	502.596	3.766	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864020062	VGXBFFZTMLGJAJ-RUZDIDTESA-N	533.673	3.756	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)[C@H]2c1ccc(O)c(O)c1	1864020745	GLDCPELNYATGLI-QHCPKHFHSA-N	534.613	3.843	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1	1864022387	MSTUGBVHTHIFBK-QGZVFWFLSA-N	512.529	3.595	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2	1865030278	HGTPOPGXBZEEGO-DEOSSOPVSA-N	535.620	3.839	10	10	KHCE	
CC(C)N(CC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(F)cc1	1867228074	KTMJXVJEDRXEKD-UHFFFAOYSA-N	565.623	3.534	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1	1871664696	STIPUHNMEGLKCU-UHFFFAOYSA-N	515.593	3.554	10	10	KHCE	
O=C1C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(Cl)cc1	2040469779	MSGXBEWYXXQYLT-HNNXBMFYSA-N	505.042	3.645	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(CCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	101974611	XUBJXYXUEORSIH-LELXDKESSA-N	561.037	3.731	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(OC)c(OC)cc1C(=O)OC	205949104	VJSSFOGYLCJZHN-LPYMAVHISA-N	524.555	3.752	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864012319	XPUJXLWKRZVILZ-VWLOTQADSA-N	530.556	3.810	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864017180	HKSBFPUXZPACDT-HSZRJFAPSA-N	512.566	3.849	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865497779	BMXMHEOVNLIVEB-VWLOTQADSA-N	515.658	3.987	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Br)cc4)n(C(C)(C)C)[nH]3)CC2)cc1	1869970294	HRNSGHSDDRXTNZ-UHFFFAOYSA-N	513.440	3.805	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1	33684362	UQHOKAOCDZWYFS-OQKWZONESA-N	519.696	3.589	10	10	KHCE	
CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990436	FSTDUIWBSMXBLS-CCRNYGKSSA-N	502.662	3.741	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	96459514	NLZMZWPLTYWRCN-BJRGRWSZSA-N	512.613	3.636	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101911247	POZIORVSEBDXTB-XTNPLULWSA-N	536.722	3.882	10	10	KHCE	
CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O	110524555	CRLHGWHNMXRZTD-OYKKKHCWSA-N	565.721	3.710	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864011257	SJGGPDCDSKIGLR-DEOSSOPVSA-N	527.581	3.651	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@@H]2c1ccc(O)c(O)c1	1864017091	FIEGZPQBVKJCSN-XMMPIXPASA-N	547.656	3.677	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865027303	GGUCEVJVKXJUQT-SANMLTNESA-N	529.641	3.763	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1865028358	SMCJICPTTBTBPL-AREMUKBSSA-N	541.608	3.781	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865038653	WYQXKOICZOWTHA-UQBPGWFLSA-N	526.593	3.677	10	10	KHCE	
COc1cc(OC)cc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867394780	BWNNPBDZJJDFTQ-RRPNLBNLSA-N	542.746	3.965	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1	1868807213	STTCFMGIHCSDPV-NDEPHWFRSA-N	524.621	3.969	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868983818	CONGFBLWIFLMIF-GDLZYMKVSA-N	516.646	3.740	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)CC2)cc1	1872716784	IJZWZALWOMOESU-UHFFFAOYSA-N	516.019	3.877	10	10	KHCE	
CCCCCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873164536	GTMROIYRSDFMLX-UHFFFAOYSA-N	520.655	3.801	10	10	KHCE	
O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	2293039316	VDLXBZBOYUJWDC-UHFFFAOYSA-N	502.625	3.795	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)n2)cc1	2314913609	BJGAFYPOSUJUEA-UHFFFAOYSA-N	536.707	3.900	10	10	KHCE	
Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	100851173	BXWLXKBJKBONBQ-UDWIEESQSA-N	554.097	3.759	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864011906	MOQUXGNSVGKTEV-HSZRJFAPSA-N	527.021	3.930	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865029016	DDYYVHHQUQATPD-QYBDOPJKSA-N	526.593	3.671	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1	1865033745	HKBZVQXJJFXBIT-QHCPKHFHSA-N	525.565	3.671	10	10	KHCE	
COC(=O)c1c(NC(=O)CN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Br)cc1	1866236980	RTNASQBNKBIHGT-UHFFFAOYSA-N	514.357	3.902	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1	1868640324	IZEOAHFPMSLDTH-XMMPIXPASA-N	540.661	3.927	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(N5C[C@H](C)O[C@@H](C)C5)ncnc4n3CC(C)C)CC2)cc1	1873550141	NSGCFKLHSSPFFP-SFTDATJTSA-N	506.651	3.672	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC	2314769185	OOYOACLEVVMVBU-QFIPXVFZSA-N	514.625	3.970	10	10	KHCE	
COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641711	TUBBWXLSLPBXSN-DMEDLEQBSA-N	500.617	3.996	10	10	KHCE	
CCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	33813443	YFEJSYMAOGBCBE-RGEXLXHISA-N	502.662	3.885	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	35963626	QVNIXKPFRJNNOY-SANMLTNESA-N	504.587	3.509	10	10	KHCE	
O=C(CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)s1)Nc1ccc(F)cc1	54201830	IXYZICSUVOSPEE-NXVVXOECSA-N	512.573	3.813	10	10	KHCE	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	59498893	GAXIFJZEASZXCV-ULJHMMPZSA-N	525.565	3.579	10	10	KHCE	
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC(F)F)c(OC)c4)c(=O)n32)cc1	101578717	PBTPFZVKFALCOG-DLBLZJNESA-N	557.619	3.864	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@@H](C)O1	102993899	YFUVGIFMSIQAEH-GLXMVNEWSA-N	551.694	3.869	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccc(C)cc1	104560385	MJMXVTMZGMPJTK-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)CC1	150448115	ZMCILXQJSPAHIZ-JZXRGVEXSA-N	700.886	3.891	10	10	KHCE	
CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCc3ccccc3)[C@@H](C=CCO2)C1	958317651	MCQLCJUASPDEFA-NSOVKSMOSA-N	567.734	3.970	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(CCc5ccccc5)[nH]c4c3)CC2)cc1	1861893972	MTKKOKFVKQBCLK-OAQYLSRUSA-N	511.626	3.824	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1	1861940329	AACWNJMPJFULMX-GDLZYMKVSA-N	517.626	3.851	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864012481	ANPBXGANXDAAOG-QHCPKHFHSA-N	506.603	3.533	10	10	KHCE	
COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CC2)[C@H]3c2ccc(O)c(O)c2)cc1	1864014159	OJXTYZFKTKMSTC-QHCPKHFHSA-N	510.550	3.932	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865029086	FTMPMZIMCQJZOZ-QZMQVMSPSA-N	504.587	3.566	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865030896	TZLQURPHRJBLEH-RUZDIDTESA-N	549.647	3.681	10	10	KHCE	
COc1cc(OC)cc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867394781	BWNNPBDZJJDFTQ-SVBPBHIXSA-N	542.746	3.965	10	10	KHCE	
COC(=O)c1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1	1869970946	UOJMBOIOEXCCLF-OVCLIPMQSA-N	518.618	3.807	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	2295181819	IHCSDAIKBHWQPP-UHFFFAOYSA-N	555.472	3.553	10	10	KHCE	
CC(C)N1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	2296731469	ZPNWBBWQFAAXNE-UHFFFAOYSA-N	509.632	3.770	10	10	KHCE	
COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1	2332105220	JFOJXYCMNZVNKK-UHFFFAOYSA-N	507.484	3.889	10	10	KHCE	
O=C(Oc1ccc2cc(C(=O)NC[C@@H]3CCCO3)c(=O)oc2c1)c1ccc(C(=O)C(=O)c2ccccc2)cc1	101700869	WMSCHAZNOZKQJA-QHCPKHFHSA-N	525.513	3.987	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	101744821	JDFVDIMGGRQYRI-KGENOOAVSA-N	562.069	3.523	10	10	KHCE	
O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S	101965941	DZZSQOZOWYHNEQ-QPEQYQDCSA-N	566.293	3.880	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4C)c(OC)c3)C(=N)N21	104561256	UKWRCLGEZISBJW-GSROUWSESA-N	542.639	3.863	10	10	KHCE	
CCc1nc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1	1861890224	BGFDSXYOZKHQIT-HHHXNRCGSA-N	511.626	3.824	10	10	KHCE	
CCCOc1ccccc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862055100	DYBXMFLDVLBOIW-HHHXNRCGSA-N	517.626	3.880	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864011834	ZBCGSLWCFJVUPN-QFIPXVFZSA-N	527.021	3.863	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864013948	JSMJEXFKGAWGBB-HSZRJFAPSA-N	512.566	3.798	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864014319	RULPNKDTQCQJHT-QHCPKHFHSA-N	512.566	3.716	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864018195	FJXRGMMIYUFNJZ-QFIPXVFZSA-N	504.518	3.648	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864019406	KCKQOGMTYZLPBL-NRFANRHFSA-N	512.994	3.737	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864020449	ZHSMOZYQQWGLEK-VWLOTQADSA-N	536.592	3.792	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865037246	MRTPDXOKJMDAMG-DWXRJYCRSA-N	540.620	3.925	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866637648	BSYNCWDZXNVABE-HSZRJFAPSA-N	547.633	3.558	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc(C(C)C)n3)CC2)cc1	1867950417	XRSNMSIPHLTMON-UHFFFAOYSA-N	530.673	3.986	10	10	KHCE	
COc1cc(Br)cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1O	2294259245	WZAJMIQLCSIOJD-UHFFFAOYSA-N	512.179	3.757	10	10	KHCE	
CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1F	38619421	CBBOGXRGYXXPMI-QHCPKHFHSA-N	503.596	3.668	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCc3ccc(Br)cc3)CC2)cc1	1861951728	INBKPAKRVMWKTH-QHCPKHFHSA-N	500.437	3.730	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865413335	JYOPJFDTGWWPJC-SANMLTNESA-N	536.636	3.882	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804730	RYPUWEGRMHPLMP-OUTSHDOLSA-N	555.676	3.920	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC	2296908779	GRXLQRADOREFQU-UHFFFAOYSA-N	517.332	3.904	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S	2314415078	WRLZPLWYQHTGOH-SFHVURJKSA-N	518.705	3.841	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C[C@@H](C)O1	2314476218	KZXUMNHZRDCHPZ-OYRHEFFESA-N	634.784	3.505	10	10	KHCE	
O=C1C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2314504509	XHBYZLPAHIXJOK-CYBMUJFWSA-N	534.040	3.529	10	10	KHCE	
CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O	33812737	JXGLUJYVTBYOFW-KQWNVCNZSA-N	521.712	3.982	10	10	KHCE	
CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(O)c1C3=O)[C@H](OC(=O)OCC)C[C@](O)(C(C)=O)C2	97976114	CJCLTLJGYVYVPZ-JWRCQZCYSA-N	600.529	3.719	10	10	KHCE	
CCOc1cc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)ccc1OC	526311480	DEMZJHMGXLDNLH-VWLOTQADSA-N	523.611	3.865	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011105	ZGOQUAICNPYMMV-UQBPGWFLSA-N	512.566	3.735	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864013112	QHEQZUCIIXELID-RUZDIDTESA-N	533.673	3.674	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864015919	GNDCXXJVMYVZGU-XMMPIXPASA-N	542.592	3.880	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865026512	OUEUUZGSEUTFET-JRLRZGBRSA-N	506.578	3.989	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCN(C)CC2)[C@@H]3c2ccc(O)c(O)c2)c1	1865028513	WGGNBGWBIRMPBD-AREMUKBSSA-N	531.657	3.515	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865033597	DIKHEAMUJWNBFF-SAHWJRBASA-N	534.613	3.710	10	10	KHCE	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867500758	LAEBYLLPIWAURI-FQRUVTKNSA-N	547.700	3.609	10	10	KHCE	
COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(n3cnnc3C)CC2)n1	1868254432	OZUZZLNXMZMVEM-UHFFFAOYSA-N	523.597	3.926	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1	1871593785	LNGWSGHGTSZHNK-UHFFFAOYSA-N	511.630	3.729	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425864	NZWMOPZQBVCIJD-UHFFFAOYSA-N	515.570	3.527	10	10	KHCE	
CCCCN(CCO)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCC	1873552311	LCVCBHGXIFPARE-UHFFFAOYSA-N	508.667	3.801	10	10	KHCE	
CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	40066410	ZDWQZYYJTHCBFW-ZHZULCJRSA-N	510.641	3.769	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OC	40940680	FTIBHKPPGOUDSP-KGENOOAVSA-N	513.641	3.797	10	10	KHCE	
CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	101739514	YYQYKLZCHQBBDV-QXHVWWCLSA-N	570.689	3.829	10	10	KHCE	
CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	137765242	AHPGGTRZUJNDCJ-LIEIOVMRSA-N	532.688	3.508	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864008922	VBWCNNWORSWYHS-DEOSSOPVSA-N	546.967	3.985	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864009530	ABUMZNDJONUMEU-DEOSSOPVSA-N	527.581	3.651	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864018372	JQLJPVZLWSSEGG-RUZDIDTESA-N	544.583	3.934	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018381	KDBWTVMFACKUFG-GCJKJVERSA-N	525.005	3.548	10	10	KHCE	
NC1=C(C(=O)NCCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022594	PPDYQBFPWNJBIQ-FQEVSTJZSA-N	537.498	3.751	10	10	KHCE	
CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1865037353	OCUMFXLUIDGKMR-VWLOTQADSA-N	542.592	3.715	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(F)cc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865424610	GTEAKXHRPUBMBA-HSZRJFAPSA-N	523.584	3.796	10	10	KHCE	
CCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867639213	MHWKFOSLUNAYES-RRPNLBNLSA-N	507.679	3.953	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869001545	NMMMQIVAAITGTB-LJAQVGFWSA-N	534.613	3.564	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCc4ccccc4)cn3CC(C)C)CC2)cc1	1870617534	FWZRHULIBVUICO-UHFFFAOYSA-N	519.642	3.957	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=NCc4ccc(C)cc4)[nH]3)CC2)cc1	1871467960	RDORPQQCFVBUMV-UHFFFAOYSA-N	509.658	3.892	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873164778	ROHPQLPZQXWYAR-UHFFFAOYSA-N	558.635	3.951	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(OC)c(OC)c3)n4C)CC2)cc1	1873650536	OCKQGHPVLSDVOB-UHFFFAOYSA-N	502.575	3.573	10	10	KHCE	
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O	2295872382	YYTXCJZTQNYFBY-UHFFFAOYSA-N	525.517	3.557	10	10	KHCE	
Cc1ccc(S(=O)(=O)c2nc(C=C3SC(=S)N(Cc4ccco4)C3=O)oc2N2CCOCC2)cc1	2297464058	OBMUBVXYQSPUBX-UHFFFAOYSA-N	531.637	3.647	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)=C(N)O2	2326514639	CHZNJHTYBYTDMZ-MHZLTWQESA-N	543.668	3.811	10	10	KHCE	
Cc1nn(-c2ccc(I)cc2)c(O)c1/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O	34222116	FGVRNDIVGWGVOU-BOPFTXTBSA-N	514.279	3.998	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	100885065	FEBKXLFQSNKGHC-OQKWZONESA-N	554.694	3.994	10	10	KHCE	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C	104562603	JLNOFFZRLFWWJI-QMBQVOGFSA-N	528.616	3.958	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1	205421088	HGBZBLPEFVMINN-OUTBBCKASA-N	772.638	3.522	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	1083972537	MOGAORCESFTDRO-LICLKQGHSA-N	510.850	3.625	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccc(OC)cc3OC)c3ccccc3)CC2)cc1	1862148860	FKEJAFHOAYIMFU-QFTDAYPPSA-N	515.610	3.932	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864009098	ZFDGEMJFGQZKOD-DEOSSOPVSA-N	506.603	3.669	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4cc(F)ccc4OC)n(C)n3)CC2)cc1	1868945082	MVJIZMADHOLUPS-NDEPHWFRSA-N	571.653	3.933	10	10	KHCE	
CC1=NN(c2ccc(S(=O)(=O)O)cc2Cl)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1-c1ccccc1	2297707750	HLFGEXOHPZQUSN-UHFFFAOYSA-N	611.126	3.680	10	10	KHCE	
CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110521648	SZDGGZOBMDCFLP-SYANTJLKSA-N	563.749	3.751	10	10	KHCE	
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC	526311465	CWLPVGBSCGVHMC-RUZDIDTESA-N	523.611	3.865	10	10	KHCE	
C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C(=O)N1	643566217	DQYJZIGMAXMPCW-HSZRJFAPSA-N	552.691	3.742	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084442257	PIJHQWJFNVEZPQ-QHCPKHFHSA-N	633.508	3.573	10	10	KHCE	
COc1ccc(CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c(OC)c1	1860603598	DQLPMXWGDPJFLJ-UHFFFAOYSA-N	512.562	3.899	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(C)cc2)[C@H]3c2ccc(O)c(O)c2)cc1	1864007299	KDCTUKGIGOCMDB-VWLOTQADSA-N	512.566	3.920	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864016602	TZVXCYHYYUAMHZ-QMHKHESXSA-N	547.011	3.855	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867612863	OAPZWDGZOWGEGZ-ZWXJPIIXSA-N	649.814	3.734	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873164656	LJADRUGQTMCTJT-UHFFFAOYSA-N	528.653	3.565	10	10	KHCE	
Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	2296542827	YYRUTJDPAXHYML-KRWDZBQOSA-N	536.635	3.724	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OCC	2297306771	OJAVUNHGQVRDBG-UHFFFAOYSA-N	523.767	3.905	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)cc2)C[C@@H](C)O1	2297455641	HMUBCAIHRVVUDL-CALCHBBNSA-N	563.698	3.854	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	20207642	GXYVBDDNYDPBMG-BEBMFCDBSA-N	519.004	3.939	10	10	KHCE	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	213182544	KBHPUYVUMKPSHT-VJOZSWGJSA-N	541.676	3.746	10	10	KHCE	
COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	1083866607	CJRGUUBENMUZMD-SDQBBNPISA-N	545.102	3.868	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1	1871668113	PGSSMUDRTNGNQX-UHFFFAOYSA-N	511.630	3.723	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	2296849779	RVOVFVNHDQGRQF-ICSRJNTNSA-N	522.652	3.529	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	2297470539	ASHDGVUXENGYKZ-UHFFFAOYSA-N	517.567	3.546	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1	2314399309	LMJIPQJMRXKJPA-UHFFFAOYSA-N	549.678	3.683	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314828758	HLVSCNFAKHWYRA-MOXGXCLJSA-N	548.683	3.959	10	10	KHCE	
O=C(O)CCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O	2314931479	FWMLOUGXBPQDBI-UHFFFAOYSA-N	507.387	3.849	10	10	KHCE	
CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990149	QQJHUXRDVNBRDU-QJHUTNDBSA-N	502.662	3.597	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1C	96460417	FLMJWLYLVCKANN-SCORJZKRSA-N	512.613	3.984	10	10	KHCE	
CCCCn1c(=C2C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2C)sc(=C2Sc3ccc(OC)cc3N2C)c1=O	254734766	JRIYXOJZKGLECM-UHFFFAOYSA-N	551.650	3.508	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3c(OC)cccc3OC)CC2)cc1	1862122819	ZYWUBONLFGSSGK-XMMPIXPASA-N	521.589	3.541	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1	1864010640	AFOUMFSUAXNEGM-RUZDIDTESA-N	530.556	3.810	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865027596	ZLXHUHUBFRTTTM-OAQYLSRUSA-N	531.396	3.511	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865030442	JYNKMWLWLBNJKA-OJLQRUNKSA-N	536.604	3.765	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031773	NXBUIICTMBTLMP-SFHVURJKSA-N	516.476	3.628	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccncc3)c3ccccc3)C(C)C)CC2)cc1	1868674268	XSNPZAWBUQFREP-IZLXSDGUSA-N	500.643	3.906	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC[C@@H](O)C[C@@H]4c4ccc(OC)c(OC)c4)nc(C)n3)CC2)cc1	1869304261	QSYTVSRFTZUNSY-ILBGXUMGSA-N	519.646	3.840	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cnc(C)cn4)n(-c4cccc(Cl)c4)n3)CC2)cc1	1869970721	OJQKBFAPISOGDZ-UHFFFAOYSA-N	504.982	3.607	10	10	KHCE	
COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1	1873419846	BTIOOUOGZFISPR-UHFFFAOYSA-N	517.582	3.736	10	10	KHCE	
CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1	1873426333	ZSHQEPJTLJSDFA-UHFFFAOYSA-N	527.625	3.577	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C2=O)c1	2313555957	GNSAKNZNTOIAOD-UHFFFAOYSA-N	502.365	3.979	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N	39989555	FSFYVQDUVCXFOP-GRKWUUPQSA-N	522.652	3.932	10	10	KHCE	
COc1ccc(OC)c([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)c1	103074664	RWMBSEKOWIVESJ-NDEPHWFRSA-N	594.112	3.848	10	10	KHCE	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1Cl	106659242	LGBZFSKNQFOORW-VVEDBRRQSA-N	534.012	3.936	10	10	KHCE	
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	110073355	LYLXKLNEGIQVNB-RRDPUDRWSA-N	594.784	3.850	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	256044395	UYWATLZDBWSNON-PTMNSZNESA-N	530.693	3.820	10	10	KHCE	
CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(N(C)C)cc1	526314810	HPHNLNXSXULHCL-DEOSSOPVSA-N	523.611	3.865	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864006951	BGKUNDUKJVLIBG-SANMLTNESA-N	542.592	3.663	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864013572	CTOBVZUGZMRDHO-HSZRJFAPSA-N	521.618	3.649	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864016846	YNZYMSAGTVKTFZ-HSZRJFAPSA-N	527.581	3.583	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019078	VNCSKJPDSQAKSJ-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864019110	GMKURHXNWQCCLZ-DEOSSOPVSA-N	520.630	3.758	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1865027606	ZSGKAPJUAWLXAL-SANMLTNESA-N	543.599	3.971	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1865035041	JWMVMVWCPOBJDR-VWLOTQADSA-N	534.657	3.837	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccccc3OC(C)C)CC2)cc1	1865454657	IFYFHSRGGFMXDV-VWLOTQADSA-N	517.630	3.568	10	10	KHCE	
C[C@@H](C(=O)Nc1ccccc1Cl)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326943726	FYQKQJMOXBEUKE-LBPRGKRZSA-N	516.000	3.760	10	10	KHCE	
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(OC(F)(F)C(F)F)c(N3C(=O)c4ccc(C(=O)O)cc4C3=O)c1)C2=O	105439637	HANNOGNCAVQDGX-UHFFFAOYSA-N	572.379	3.921	10	10	KHCE	
COc1cc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C\c5cc(OC)c(OC)c(OC)c5)S4)CC3)=NC2=O)cc(OC)c1OC	150466997	FNJMAFFORNFPHW-REPVBDINSA-N	640.740	3.997	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(N(C)C)cc3)CC2)cc1	1862290012	JRDIOCOMBLQJGB-HHHXNRCGSA-N	504.606	3.590	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864019267	XNGCWONHKUONKH-QHCPKHFHSA-N	549.031	3.656	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2	1865029984	ZNILMYSMGIIOCS-RUZDIDTESA-N	548.640	3.710	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479338	OYYJXCLQCTUGEH-YTCPBCGMSA-N	619.763	3.700	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1	1867689687	INUAUBPMQBGGLR-CZNDPXEESA-N	698.286	3.817	10	10	KHCE	
O=C(CNC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868159532	YJOUOVVABXENTC-UHFFFAOYSA-N	505.534	3.628	10	10	KHCE	
CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868744135	AZXPGWXPCQSTRM-SANMLTNESA-N	543.730	3.790	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1	1869229687	RIDUSMDVCVJGJB-SANMLTNESA-N	512.658	3.710	10	10	KHCE	
COC(=O)c1ccc(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873168938	QPPBVUVUHZGQBC-UHFFFAOYSA-N	523.593	3.716	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509115	YIRORIDPUPOLAJ-UHFFFAOYSA-N	535.622	3.720	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1	2323809290	VTNVVKCTPFNUNA-FQEVSTJZSA-N	514.625	3.537	10	10	KHCE	
N#Cc1ccccc1[C@@H]1N[C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21	150657405	JMJPJRSCQSMJJM-IMKYSHHDSA-N	640.608	3.754	10	10	KHCE	
CCN(CC)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4F)NN32)c(OC)c1	588226545	WGGULGRSRJPEOT-AREMUKBSSA-N	517.630	3.757	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011165	QYFFIVUDQROBDI-QHCPKHFHSA-N	506.603	3.780	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864018740	BPDGFWOOOGKHMM-RUZDIDTESA-N	533.673	3.838	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1865031258	CUELFFWJDJPZHG-HSZRJFAPSA-N	520.630	3.933	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4[N+](=O)[O-])n(-c4ccccc4)n3)CC2)cc1	1869970845	RQOVHHHGSXGKPY-UHFFFAOYSA-N	513.558	3.692	10	10	KHCE	
CCOc1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)cc1	2295847389	UTANECPALCTGJZ-NRFANRHFSA-N	574.746	3.901	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N21	2297345504	COCXCQJGLMVZHG-UHFFFAOYSA-N	514.560	3.692	10	10	KHCE	
COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1	2297346456	HUCZLMYMDOOFFF-UHFFFAOYSA-N	542.639	3.800	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(O)c(I)c1	2313558777	JQCKVHDRRWIGCR-UHFFFAOYSA-N	547.143	3.730	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccccc1C	101398330	IJVPAEBRAGMGAA-GSROUWSESA-N	542.639	3.863	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	207325339	CKRJZQJVRWQVFT-HJSBDDGSSA-N	524.686	3.613	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	1084157662	XUFMGKNRYXMWBY-JOCHJYFZSA-N	544.446	3.766	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861987042	BJUAXLDFORVKKC-HHHXNRCGSA-N	516.642	3.543	10	10	KHCE	
CC[C@@](C)(NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869011170	ATOWQIFIKOJCLQ-SSEXGKCCSA-N	516.642	3.710	10	10	KHCE	
CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1	1873165431	OFHRVGSCUQUNIS-UHFFFAOYSA-N	514.626	3.702	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1	2297346458	IOBXAHKKFNBZLK-UHFFFAOYSA-N	542.639	3.800	10	10	KHCE	
COc1ccc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	2297508711	BCNDOGUUPCXIRR-UHFFFAOYSA-N	507.612	3.641	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600299	YPOAGUSEMNBDIL-LJQANCHMSA-N	548.708	3.794	10	10	KHCE	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1cccc(C)c1	20206009	XQALZMSOJAHWOR-OUQLGABESA-N	519.004	3.857	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(C)s1	39793665	KZNOZSDFSZTJIS-MFOYZWKCSA-N	502.599	3.867	10	10	KHCE	
O=C(O)CCCN1C(=O)/C(=C\c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	102835097	UBXAGPLBVVLGOW-CAPFRKAQSA-N	570.096	3.741	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccc(C)cc1	104562461	SLCBXYXFDUGMNM-KQHQIWRUSA-N	540.623	3.870	10	10	KHCE	
CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110530230	ZJCJGCHRRASNKK-NYJFEVAISA-N	562.783	3.699	10	10	KHCE	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	213203566	CJSRJKINIYPWCI-AQTBWJFISA-N	511.581	3.870	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)COc3ccc(Cl)c(C)c3)CC2)cc1	1862191287	LOUOVVKVUHZORE-QHCPKHFHSA-N	506.068	3.623	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864010711	BAONYQWFLKXYJW-VWLOTQADSA-N	514.557	3.844	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865030631	NIJOPLLKKCGERR-QHCPKHFHSA-N	510.550	3.504	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1865031015	XFIMUBXDINFWEM-XMMPIXPASA-N	538.620	3.750	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031772	NXBUIICTMBTLMP-GOSISDBHSA-N	516.476	3.628	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1865031827	OXOVMVPOUCGJKW-QHCPKHFHSA-N	547.011	3.808	10	10	KHCE	
COC(=O)c1cc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc(C(=O)OC)c1	1872884034	HUAUOZILOIXTAF-UHFFFAOYSA-N	517.582	3.843	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873426032	SDQMBMYHLHLTBB-UHFFFAOYSA-N	506.553	3.897	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	2296697787	LMMJVNNLGPWRMJ-SFHVURJKSA-N	508.625	3.695	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1	2296929544	FUGOTFCAGCFBLA-HXUWFJFHSA-N	577.732	3.718	10	10	KHCE	
COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O	2297461279	IHNWAGFJXLWAIS-UHFFFAOYSA-N	510.641	3.595	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2	2297468117	KFDZLCWVXGUBMA-UHFFFAOYSA-N	547.593	3.635	10	10	KHCE	
COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	2313556641	GUGUTYCPHXDOFG-UHFFFAOYSA-N	524.121	3.615	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O	39990523	LBSWZQBOURUXPQ-JWGURIENSA-N	507.685	3.986	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)C(=N)N21	101395610	BKLISICXJPSIFV-JCMDWAABSA-N	532.987	3.579	10	10	KHCE	
CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(O)c1C3=O)[C@@H](OC(=O)OCC)C[C@@](O)(C(C)=O)C2	256351247	CJCLTLJGYVYVPZ-SFNQZPIRSA-N	600.529	3.719	10	10	KHCE	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1	1860604061	FIXQBHHZXQVOFU-UHFFFAOYSA-N	513.506	3.870	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864006950	BGKUNDUKJVLIBG-AREMUKBSSA-N	542.592	3.663	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1865027460	YMIGHYNGKSMRLB-RUZDIDTESA-N	520.630	3.583	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccc5c(c4)OCO5)oc3C)CC2)cc1	1868997566	IXXTUTWTPAXJRA-HSZRJFAPSA-N	566.680	3.517	10	10	KHCE	
Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O	159546136	IQIADRHFDNVZIZ-UHFFFAOYSA-N	666.040	3.923	10	10	KHCE	
O=C1N=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)S/C1=C\c1ccc(OC(F)F)cc1	166633489	NBPNMUSXDFZXBK-AQTBWJFISA-N	513.975	3.918	10	10	KHCE	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12	504699927	OQYASPNAHCBYHV-NVIJWRNBSA-N	508.530	3.986	10	10	KHCE	biogenic
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864011056	DGJTVHJKCAUIOX-JOCHJYFZSA-N	546.455	3.720	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864013522	XRUMXUZCCGOEBP-RUZDIDTESA-N	542.640	3.701	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccc(O)c(O)c1	1864021668	FFKBHMMGRHXKQF-IBGZPJMESA-N	546.502	3.709	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1865028490	WCQCYZBBMWIPHL-JOCHJYFZSA-N	512.994	3.561	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C(=O)OCC)C1)[C@@H]2c1ccc(O)c(O)c1	1865031325	DXCDMBOHCKMHBZ-NZQKXSOJSA-N	546.624	3.868	10	10	KHCE	
CCC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866626968	QGFOECJIEZMGQT-RUZDIDTESA-N	559.644	3.929	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869010111	SFBPROKBWMMYRB-XMMPIXPASA-N	506.647	3.587	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COCc4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970689	VQTKJKBILZUVPM-UHFFFAOYSA-N	528.613	3.766	10	10	KHCE	
O=C1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)NC(=O)[C@@H]2CCCN2C2CCN(CC2)C(=O)C[C@@H]2CCN(Cc3ccccc3O)C[C@@H]2CCN1	2080498390	UUTUEDDRSHZUEA-RRURFNPQSA-N	716.899	3.516	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(Br)cc4)N=C3C)cc2)nc(OC)n1	100507705	JJEOBEDUJRNJPY-CPNJWEJPSA-N	573.429	3.776	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1F	104558317	OHWZUKOZOCCKKU-WVIXDYEQSA-N	522.967	3.688	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)c2)CC1	150448458	DDSBPMMTRDPMOI-BWAHOGKJSA-N	690.847	3.592	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	207327250	HLGDRNAFKWOPKC-PUMYGXPMSA-N	524.711	3.847	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864011041	DDDSJWVJLTVDCC-VWLOTQADSA-N	544.539	3.530	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864012143	SDUQQFAMDBNQEP-VWLOTQADSA-N	540.555	3.677	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865027056	DWCDWNRIHJDSIB-JOCHJYFZSA-N	512.994	3.561	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(OC)c1	1865581498	FTYDCRFUTRKMTR-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866666974	IUBYFNVMBXLJNQ-QHCPKHFHSA-N	543.963	3.737	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437348	FSLONKUOABIOLI-NSOVKSMOSA-N	593.794	3.952	10	10	KHCE	
O=C(O)c1cccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)SC2=S)c1	2293665832	KQWZFVWUJFYJQY-UHFFFAOYSA-N	507.593	3.604	10	10	KHCE	
Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)O)C2=O)ccc1Br	2294095071	HKOGLSRIGZKWGO-UHFFFAOYSA-N	538.148	3.650	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1Cl	2297345112	ROFLCGGVYRLQNZ-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=N)N21	2297345714	UXLDROBYKVUSLJ-UHFFFAOYSA-N	520.434	3.868	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C	2297345914	MWRBQWANXGAFRL-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=N)N21	20206501	KHLHFYKNPVUDDV-VHARHKTESA-N	507.597	3.732	10	10	KHCE	
N=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(N3CCOCC3)=NN12	20356610	CUXLGQIJECIUTB-PTLCIYQVSA-N	500.584	3.629	10	10	KHCE	
Cc1c(N2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	100885855	NYYUXLSSQVRGKU-HEHNFIMWSA-N	558.689	3.888	10	10	KHCE	
CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)S2)cc1	102370881	GZDOOKZODKDSQM-LOSJGSFVSA-N	576.704	3.578	10	10	KHCE	
CN1C(=O)/C(=C/c2ccc(O/C(=C(/NC(=O)c3ccccc3)C(=O)NCCO)c3ccccc3)cc2)SC1=S	102860078	XUUSQHIJIYZBFF-GJHMYLDPSA-N	559.669	3.804	10	10	KHCE	
CC[C@H](C)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)OC	1616129051	KRJNWOXNCNWARZ-YJIIWGRFSA-N	502.615	3.882	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864016949	AQZARVVLXYBTQV-QHCPKHFHSA-N	536.629	3.863	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864023083	UGUONUBJXKERNM-XMMPIXPASA-N	542.592	3.725	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865026387	MVQGNNXOXIWNAT-HYBUGGRVSA-N	539.032	3.763	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3cccc(F)c3)CC2)cc1	1865543704	XQYKPHQIPDLZRL-AREMUKBSSA-N	540.599	3.767	10	10	KHCE	
C[C@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866845358	ZAFIHGLOZYIMEQ-DLBZAZTESA-N	588.667	3.504	10	10	KHCE	
CSCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644592	HEUFCJKZBFUWFD-RRPNLBNLSA-N	539.746	3.906	10	10	KHCE	
CCCCN(C)C(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870514445	DBFHMMUBZWNEBJ-UHFFFAOYSA-N	512.695	3.863	10	10	KHCE	
Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1	1873168737	HWQYKJWKFLOARK-UHFFFAOYSA-N	542.680	3.792	10	10	KHCE	
COC(=O)C1CCC(CN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873170697	MMRXBTCQNMIFCU-UHFFFAOYSA-N	532.685	3.837	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1C	2297345499	BZQMWVICLDTARX-UHFFFAOYSA-N	542.639	3.861	10	10	KHCE	
O=C1[C@@H]2[C@H](c3ccc(N4CCCC4)cc3)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C(=O)N1C1CCCCC1	102480517	ZQFUYLSHGJWUIJ-VWDBNSKXSA-N	546.624	3.839	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@@H](C)O1	256319273	RDYXRPGVNWOQLW-GHFPKWKESA-N	765.768	3.581	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(Br)cc3)CC2)cc1	1862040262	GAPAJGAUKUGLSM-NRFANRHFSA-N	506.466	3.658	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864017593	POIFEMHUVSODMA-VWLOTQADSA-N	547.656	3.541	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865025724	CLZDDTQOGBMLSL-DXMSMQRWSA-N	506.578	3.989	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865025991	HGUKIDFVZFWLKQ-WBPRFABPSA-N	525.005	3.635	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865615752	BMJWPZSMOMNSGD-DEOSSOPVSA-N	546.628	3.816	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c2nccn2C)cc1	1866007333	LVIONMDVPOFSSC-UKILVPOCSA-N	535.645	3.719	10	10	KHCE	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1	2296790940	PZRGOYJOWPTFGO-UHFFFAOYSA-N	513.622	3.619	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1F	2297345901	LOAKRJZGFQAGHE-UHFFFAOYSA-N	544.586	3.843	10	10	KHCE	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)C[C@@H](C)O1	2314401188	VIULRJNUPWCRDY-QZTJIDSGSA-N	506.653	3.752	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(C4CC4)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	101498265	YEUOGZHSLUCTQX-JFOUQRKPSA-N	549.638	3.720	10	10	KHCE	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)c4ccccc4)CCC(=O)NCC3)cc2)CC1	257183491	RRCPCMDDCLQFNE-VWLOTQADSA-N	504.675	3.988	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	725432113	BIRNPCZYZHVTHI-HHHXNRCGSA-N	571.655	3.911	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864016413	OMUKXEQMHGNKAD-MWTRTKDXSA-N	547.011	3.855	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N(C)C2CCCCC2)=C(N)O3)cc1	1865034453	WSSBOKFRWQGCME-QFIPXVFZSA-N	504.587	3.993	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(Cl)c1	1865092695	XUTMYPAAISPFKX-QHCPKHFHSA-N	508.022	3.917	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865350005	PKXDIVRWCBAYHR-SANMLTNESA-N	532.689	3.882	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2ccc(Cl)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873423814	IQXRZGFWYMBQNQ-UHFFFAOYSA-N	521.961	3.984	10	10	KHCE	
O=C(O)CCNc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2noc3c2c1C(=O)c1ccccc1-3	3742060	JXLQAGPCGKKGDZ-UHFFFAOYSA-N	526.549	3.977	10	10	KHCE	
CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1	72413122	NMIDJQXEQAYYMR-LJQANCHMSA-N	501.406	3.888	10	10	KHCE	
CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(OC)cc4)c(OC)c3)C(=N)N12	101393572	IXYQXHRRPLZKRF-GJXXPDGXSA-N	532.625	3.801	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1	103779021	QGDPCXBGZQQEKW-MPKYGIEOSA-N	622.750	3.830	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H](C)O)=C(N)O2	1864014649	ZMPNPJYKOZALJP-VOIUYBSRSA-N	514.582	3.581	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@H]2c1ccc(O)c(O)c1	1864022465	XKMFKZMQBKFOPD-QHCPKHFHSA-N	501.587	3.802	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865028041	OBXQUXDNBAITBL-VWLOTQADSA-N	547.011	3.961	10	10	KHCE	
COc1ccc(CCN2C(=O)c3ccc(C(=O)NCC(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1	1867495323	PFPWUQDOXMHCHJ-WJOKGBTCSA-N	611.743	3.673	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)CC2)cc1	1868893198	BUIQUOUYKKMOGZ-DEOSSOPVSA-N	563.724	3.992	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1	1869119298	XHQJLZROPBJADI-JOCHJYFZSA-N	522.719	3.945	10	10	KHCE	
O=C(COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)N1CCOCC1	1871034559	UXPZXCHRFFGPDP-AREMUKBSSA-N	518.614	3.621	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCCN(C)C)C2=O)cc1	1873168161	KZXRBYZJINHEQP-UHFFFAOYSA-N	500.599	3.644	10	10	KHCE	
Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O	1873426270	YIOHYJSJPFWODT-UHFFFAOYSA-N	529.597	3.835	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)cc2)C[C@H](C)O1	2297455643	HMUBCAIHRVVUDL-IRXDYDNUSA-N	563.698	3.854	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1C	2313545840	JOWCSZHVVZWUQT-UHFFFAOYSA-N	501.495	3.774	10	10	KHCE	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)C=Cc4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1	2313785217	GRZLSTHZFFOPCR-UHFFFAOYSA-N	630.727	3.929	10	10	KHCE	
CC(C)OC(=O)c1cccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	2326944784	YFRNSMDYZJFQTL-UHFFFAOYSA-N	510.593	3.845	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	1565533275	QISHERPDNUYSOB-SQMFLSJESA-N	519.648	3.988	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(Cl)c(OC)c(Cl)c1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862058288	KMOIZDMUGFXQEQ-LJQANCHMSA-N	510.418	3.876	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1	1864016853	YQKHQKBUEZGIBT-UGKGYDQZSA-N	504.587	3.607	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864018719	BADQIWCGRRZPEY-VWLOTQADSA-N	526.593	3.925	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)c1	1865028080	OZWXTCVBAUDVNO-FUMQJTLXSA-N	518.614	3.598	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC[C@H](O)C[C@@H]4c4ccc(OC)c(OC)c4)nc(C)n3)CC2)cc1	1869304263	QSYTVSRFTZUNSY-UKILVPOCSA-N	519.646	3.840	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)c(OC)c3)ncnc21	1875226368	BADOBRNGKBQGGR-UHFFFAOYSA-N	560.655	3.678	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OC(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	2297346311	UVYAZMBIMCYSRO-UHFFFAOYSA-N	547.014	3.888	10	10	KHCE	
CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990147	QQJHUXRDVNBRDU-JYAVETKUSA-N	502.662	3.597	10	10	KHCE	
CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1	101442169	HUUVDEAQZKOVFC-GICBFTDPSA-N	531.572	3.901	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc(Br)c1OS(C)(=O)=O	104557733	RFKSWEIXAAOSKD-HZEAYUTJSA-N	547.478	3.762	10	10	KHCE	
CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCC(=O)N1CCCCC1	206861363	DDGFWFOAPSAYHG-HKWRFOASSA-N	506.646	3.631	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	1084657461	GDVXDIRHUWUNRI-JAIQZWGSSA-N	507.886	3.810	10	10	KHCE	
CCc1sc(NC(=O)C(=O)NCCCn2ccnc2)c(C(=O)OC)c1-c1ccc(Br)cc1	1860763939	SKIGVPPIHXKYRM-UHFFFAOYSA-N	519.421	3.868	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864015255	NJVLKPFLVIRFNX-QGZVFWFLSA-N	506.456	3.721	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864018300	HWPWFERQASNHCH-RUZDIDTESA-N	549.647	3.731	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1CCO)[C@H]2c1ccc(O)c(O)c1	1865033659	FRLWYHWWGDYJLE-YKSBVNFPSA-N	548.640	3.838	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccco4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869969927	JYJXXLOLWWWXAW-BUHFOSPRSA-N	500.559	3.856	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4NC(=O)c4ccccc4)n(C)n3)CC2)cc1	1869970112	YDAVBTQIBPCPBB-UHFFFAOYSA-N	511.586	3.655	10	10	KHCE	
COc1cccc(C=C2SC(N3CCN(C4=NC(=O)C(=Cc5cccc(OC)c5)S4)CC3)=NC2=O)c1	2297322396	OWEWEJWZNJMOIM-UHFFFAOYSA-N	520.636	3.962	10	10	KHCE	
O=S(=O)(O)c1ccc2c(O)c(/N=N/c3ccc(S(=O)(=O)O)c4ccccc34)c(S(=O)(=O)O)cc2c1	68601105	TXUSDMZPNRXHLV-QURGRASLSA-N	538.537	3.854	10	10	KHCE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	101965129	JOHHSGVXNSJBGU-QTISIFFUSA-N	583.413	3.735	10	10	KHCE	
CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1	251992289	JJWSBXRUCDAVSX-NLJXWPIHSA-N	565.420	3.939	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1	526563785	UCDKACAEBBSYFL-RUZDIDTESA-N	521.522	3.975	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2	1865025523	ATSDITAJYMBYEK-SANMLTNESA-N	541.583	3.774	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(-c4cccnc4)n3)CC2)cc1	1869368703	CXNBEMHJKBVULX-UHFFFAOYSA-N	511.634	3.615	10	10	KHCE	
CCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870577943	OFRMYSIOSOLPCI-UHFFFAOYSA-N	512.680	3.602	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccc(OC)cc3OC)c3ccccc3)CC2)cc1	2330494723	FKEJAFHOAYIMFU-LJAQVGFWSA-N	515.610	3.932	10	10	KHCE	
O=C(NCCc1ccc(O)cc1)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@H]1C(=O)NCCc1ccc(O)cc1	85881449	XENYXHLAFMZULS-ACHIHNKUSA-N	596.636	3.783	10	10	KHCE	in-vitro
Cc1c(N2C(=O)/C(=C\c3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	100860429	IBRSEAJYHGNIFC-XSFVSMFZSA-N	546.678	3.966	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011164	QYFFIVUDQROBDI-HSZRJFAPSA-N	506.603	3.780	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865028925	BGHRNLAKWJPKHW-QHCPKHFHSA-N	539.032	3.815	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3Cl)CC1)=C(N)O2	1865029038	DTTAPRCBCQBNAK-DEOSSOPVSA-N	538.048	3.956	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3Cl)CC1)=C(N)O2	1865034652	BFWDFWVWVVJCJN-JOCHJYFZSA-N	524.021	3.573	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1S(C)(=O)=O	1866893548	ZHNJEOWBQRRDCR-VWLOTQADSA-N	582.634	3.854	10	10	KHCE	
Cc1nnc2sc(CCC(=O)N[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)nn12	1867042669	KKZIXSNNRUAWCD-RUZDIDTESA-N	550.600	3.698	10	10	KHCE	
COc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC	1867308125	FNJGUNYRBRPCOR-JWQCQUIFSA-N	542.746	3.965	10	10	KHCE	
CC[C@@](C)(NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868921624	MWBZTWBAGYPGTE-HHHXNRCGSA-N	545.706	3.732	10	10	KHCE	
CCOc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O	2313548168	NSSHIMRUGKRIMZ-UHFFFAOYSA-N	616.193	3.999	10	10	KHCE	
Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21	2533762	FVZYABNJRFWIDC-LSDHQDQOSA-N	509.609	3.725	10	10	KHCE	
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	105638822	QAHCQAKPJMIHFS-YLRSXTQRSA-N	543.717	3.851	10	10	KHCE	
COc1cc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc(OC)c1OC	1860589035	BILQUBGJYMPPQZ-UHFFFAOYSA-N	528.561	3.979	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864007786	VCQMBXTZEMENGQ-DEOSSOPVSA-N	505.619	3.525	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864008665	PHCDFRHLZLSWLM-QHCPKHFHSA-N	526.037	3.788	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865028990	CVWYCFMECNPDKN-JOCHJYFZSA-N	541.004	3.606	10	10	KHCE	
CN1C(=O)C(C)(C)c2cc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc21	1867204705	VRCSULKRAJGLJZ-UHFFFAOYSA-N	509.562	3.863	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804729	RYPUWEGRMHPLMP-GIGWZHCTSA-N	555.676	3.920	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1	1871682263	CWHJPBZDMVXKPK-UHFFFAOYSA-N	517.584	3.993	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1	1871684611	AAMQFFCUDNYKPS-UHFFFAOYSA-N	503.557	3.685	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCCN(C)C)ncnc4n3Cc3ccccc3)CC2)cc1	1875218193	AHLZFWHKJLSXEI-UHFFFAOYSA-N	527.673	3.814	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N4CCc5cc(OC)c(OC)cc5[C@H]34)CC2)cc1	4790570	BXTQQJMBMRVAHL-FQLXRVMXSA-N	527.621	3.898	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252672292	PVDUULJKXUQOTR-OAQYLSRUSA-N	668.351	3.937	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864009531	ABUMZNDJONUMEU-XMMPIXPASA-N	527.581	3.651	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864011361	SRUUGQFOJJUVTP-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864013127	QMKCDYFSCXORLQ-QFIPXVFZSA-N	545.011	3.935	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCOCC2)=C(N)O3)cc1	1865033797	IFFVMVFDQWHXOO-XMMPIXPASA-N	540.576	3.513	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865522482	DELIYMWMRWNNED-HSZRJFAPSA-N	505.594	3.657	10	10	KHCE	
COc1c(Cl)ccc(Cl)c1C(=O)N[C@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867759744	XKXSARWWARHEDE-YADHBBJMSA-N	537.488	3.502	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)C(C)C)CC2)cc1	1868641157	ZTOYCJATRXSNEJ-AREMUKBSSA-N	508.594	3.830	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1	1868764034	GBPAZGHTBLVOAH-RBTNQOKQSA-N	519.617	3.795	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3C[C@@H]3CCCO3)CC2)cc1	1870606079	FWQFEVFPHPNLGS-NDEPHWFRSA-N	519.642	3.946	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3OCC(=O)N(C4CCCCC4)[C@H]3c3ccccc3OC)CC2)cc1	1891876747	YPEYUNRBLOGPLU-NSOVKSMOSA-N	507.631	3.654	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1	2297346346	XQIKCNLNJLBIHS-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccs1	2996962	BCAZORPEYTZHDK-JKALPCAWSA-N	532.485	3.688	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccccc1	101398264	OBHMQAOPBXURCL-NLPPSYTOSA-N	528.612	3.554	10	10	KHCE	
COc1ccc(/C=C2\SC(N3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1OC	150630214	XGSWWJUZZDTDOF-URXAUHHJSA-N	652.776	3.839	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4N4C(=O)c5c(ccc(OC)c5OC)[C@H]34)CC2)cc1	606678595	FSKHMLMDDMTEHC-GDLZYMKVSA-N	556.619	3.566	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864013132	QTHMPDRCFPNFEC-HSZRJFAPSA-N	549.031	3.725	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2OC)=C(N)O3)cc1	1864021676	FJQPMHAVOPMUFZ-HSZRJFAPSA-N	528.565	3.527	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864022023	IYBMXQVDWCAUNK-LJQANCHMSA-N	542.518	3.653	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3ccco3)CC2)cc1	1865306219	WZJJCZNVIBVVRN-SANMLTNESA-N	525.609	3.885	10	10	KHCE	
CC(C)N1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2053525575	JPCIAZOJXHMLSI-UHFFFAOYSA-N	505.669	3.626	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccc(C)cc1	2297345695	SLCBXYXFDUGMNM-UHFFFAOYSA-N	540.623	3.870	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	2326604000	ZPIFAAAJIAFCDP-SANMLTNESA-N	543.668	3.819	10	10	KHCE	
CC(C)Oc1cccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1	2330189136	KNMJJRRQLMLXJT-UHFFFAOYSA-N	509.584	3.863	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	1244753	PDTXLYOTDYQHRO-KDSDTBODSA-N	557.628	3.677	10	10	KHCE	
COC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	101737417	PHCZVVHAILPOIM-FGGAIWKESA-N	621.531	3.811	10	10	KHCE	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1Cl	248158740	NLKXIEQBNNXSKA-FAWUNYRSSA-N	506.942	3.576	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864010345	LAODJCBFCAMQRI-XMMPIXPASA-N	536.629	3.871	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1	1864013640	DZBLFZFHKGAWEZ-HSZRJFAPSA-N	534.613	3.845	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864017627	QGCCGBYHRFESQM-VWLOTQADSA-N	542.592	3.744	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)CC1	1865032385	BIJFOHZZHNLFJB-QHCPKHFHSA-N	538.048	3.748	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866605405	ZQJRHMSRFDYWPA-DEOSSOPVSA-N	561.550	3.998	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866922842	LRUOQGTZEFGFNF-GDLZYMKVSA-N	523.549	3.589	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1	1867689689	INUAUBPMQBGGLR-LQJZCPKCSA-N	698.286	3.817	10	10	KHCE	
O=C1/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	33248638	PBXBAMFHKARIIT-HEHNFIMWSA-N	516.652	3.837	10	10	KHCE	
CCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	33581724	PNHJGTMWUJZRRF-LTGZKZEYSA-N	521.668	3.559	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1C	96460882	RYDWCRURKSJZSV-SPXSAIPKSA-N	512.613	3.982	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1	104562625	AVQSNKLIXPUFSL-SVKNRIHUSA-N	542.639	3.943	10	10	KHCE	
CC(=O)OC[C@@H]1O[C@H](Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253623276	CDVBCDJCQLWGKB-BAODWMKVSA-N	602.976	3.575	10	10	KHCE	
COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526387298	BSUBXHVFVDDWLO-HHHXNRCGSA-N	517.582	3.924	10	10	KHCE	
CCCC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861968922	OUHFDDINZOFEII-MUUNZHRXSA-N	506.691	3.931	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864013299	VLYUFRZCCUFHNO-QHCPKHFHSA-N	549.031	3.725	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865031053	YBQXGLDFMOMNAA-CVDCTZTESA-N	539.032	3.626	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3sc(C)nc3C)CC2)cc1	1868584862	LDIHUPJHMQXSFF-DEOSSOPVSA-N	510.635	3.526	10	10	KHCE	
CC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868890096	SKKNSCZEQJQDGK-BJKOFHAPSA-N	570.488	3.915	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1	1869168351	JSWVEJOEBJGOPX-UHFFFAOYSA-N	569.754	3.922	10	10	KHCE	
COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	2296539429	XFSLJGWHIRLFSJ-UHFFFAOYSA-N	502.017	3.933	10	10	KHCE	
CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	2297511484	OYQXXEGWCLNEIB-UHFFFAOYSA-N	520.567	3.773	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2314828674	VFTLMJKKKNDMDC-UHFFFAOYSA-N	516.453	3.871	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5ccccc5F)[nH]c4c3)CC2)cc1	1862093057	KVKIMKRSWCLTDP-GOSISDBHSA-N	501.562	3.845	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864013868	HUMJBOQCRJIDBK-HSZRJFAPSA-N	506.603	3.793	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864018976	FWFIQFMYKAQOBK-RUZDIDTESA-N	540.576	3.645	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)CC1	1865033546	CCJGWXMWXFDUKA-DEOSSOPVSA-N	547.656	3.629	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(OC)cc4)[C@H]3c3ccco3)CC2)cc1	1865303654	NFJNIUDCYLXZGQ-AREMUKBSSA-N	541.608	3.834	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3cccnc3)CC2)cc1	1865388119	LSWSSBPJLDVNTC-MHZLTWQESA-N	536.636	3.936	10	10	KHCE	
C[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867095838	ISOKHKNTGNWXKD-AWEZNQCLSA-N	514.488	3.898	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867693832	SQBSOSBGTIQPBE-MVSFAKPFSA-N	634.243	3.669	10	10	KHCE	
COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCOC)[C@H](C)C2)n1	1868254122	FCPKJLGGNJPQJX-BGYRXZFFSA-N	529.641	3.730	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCc3c[nH]c4ccccc34)CC2)cc1	1870358127	UPILYADYHXBHFI-UHFFFAOYSA-N	516.642	3.664	10	10	KHCE	
COCCCn1c(C(=O)N2CCC(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873559168	OXEGDJKUTWEMJQ-UHFFFAOYSA-N	506.651	3.675	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	2297346457	IOAPNTJSFOZYLM-UHFFFAOYSA-N	543.583	3.584	10	10	KHCE	
COc1cc(C=C2SC(N3CCN(C4=NC(=O)C(=Cc5cc(OC)c(OC)c(OC)c5)S4)CC3)=NC2=O)cc(OC)c1OC	2297578943	FNJMAFFORNFPHW-UHFFFAOYSA-N	640.740	3.997	10	10	KHCE	
O=C(O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	2313559512	CNIPWIGZRRKPPK-UHFFFAOYSA-N	650.017	3.946	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)N(CC)CC	2314769908	WUWHBTANIBBYEA-UHFFFAOYSA-N	545.477	3.771	10	10	KHCE	
COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O	102841486	SYZADAOEBKRIPD-HMMYKYKNSA-N	510.641	3.514	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3cc(OC)ccc3OC)c3ccccc3)CC2)cc1	1862238692	HTYNWTIMRDWPQT-ATKXTZNESA-N	515.610	3.932	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865030693	OUKQMVXEBZCBCG-JPYJTQIMSA-N	539.032	3.626	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)N2CCCCC2)cc1	1867652417	WYRBBZWAOXHTLR-FIRIVFDPSA-N	671.820	3.808	10	10	KHCE	
C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867757966	NHPCNQKBNIGMBY-SBUREZEXSA-N	502.015	3.776	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868620169	XTWUSEDADRQUEL-HHHXNRCGSA-N	563.120	3.526	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(O)cc3)ncnc21	1875225343	TWLFHHOOVIONSH-UHFFFAOYSA-N	530.629	3.757	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296732207	IEBXMNYHZHSMGC-UHFFFAOYSA-N	509.632	3.690	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	2296846668	OLAFOUKPRBFKGJ-OAQYLSRUSA-N	565.696	3.849	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccccc1	2297346229	OBHMQAOPBXURCL-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N4CCc5ccccc5[C@@H]34)CC2)cc1	9676461	NGCJBAIPSQRBHS-VMPREFPWSA-N	527.621	3.898	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)c3ccco3)CC2)cc1	38637554	NZEYKBITKRUKTC-RUZDIDTESA-N	526.659	3.725	10	10	KHCE	
Cc1nsc2ncc(C(=O)N3CCCC3)c(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)c12	65301076	YSVJCQTZELBGBA-UHFFFAOYSA-N	506.676	3.835	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21	96460961	DVFDPDJCUFUAAI-ODXNEQJUSA-N	513.557	3.574	10	10	KHCE	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c1	104562595	ODPVWHKCFMWQFM-SMESXNLSSA-N	529.644	3.759	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	256319282	RDYXRPGVNWOQLW-IWYWOLTNSA-N	765.768	3.581	10	10	KHCE	
CC(C)=CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1859000597	CTESEHSYMTVQJE-UHFFFAOYSA-N	531.590	3.597	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCCOc3ccccc3)CC2)cc1	1862224729	ZDTUNQWVTHRMNK-MUUNZHRXSA-N	517.626	3.636	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2	1864019247	XCXJXOIPYKRORP-HXUWFJFHSA-N	500.958	3.917	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@H]2c1ccc(O)c(O)c1	1864022386	MSTUGBVHTHIFBK-KRWDZBQOSA-N	512.529	3.595	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865027044	DNTPMVRHIFHLIQ-HHHXNRCGSA-N	537.620	3.694	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1c[nH]c2ccccc12	1865367542	SKBWSPQDZBNMLI-RUZDIDTESA-N	512.614	3.745	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1OC	1865588050	VKQDOQNJRVYAEW-RUZDIDTESA-N	517.630	3.662	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccco1	2297345672	QYLIAPNGELTSGB-UHFFFAOYSA-N	530.584	3.545	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864016893	ZUMXTKSRZBYILW-MWTRTKDXSA-N	547.011	3.855	10	10	KHCE	
COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1	1864022985	SZKYRZMPKRBHPV-XMMPIXPASA-N	524.577	3.991	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1	1864023109	ULYACFMDQODMFG-BUXKBTBVSA-N	548.518	3.922	10	10	KHCE	
Cc1cccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(O)c(O)c3)CC2)c1	1865029056	FDBXTLPSWPOSCO-AREMUKBSSA-N	531.657	3.606	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865032631	HKSPAJRAIZALSU-XMMPIXPASA-N	534.613	3.732	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C(=O)O)cc1	1865493392	GQANCSDAIAJTLC-DEOSSOPVSA-N	545.640	3.606	10	10	KHCE	
C[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866630496	QOVHQNSUJLLYQB-MRXNPFEDSA-N	566.035	3.802	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	2297346292	SITKBNXFRSCSLZ-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCC4CCC(C(=O)O)CC4)c4ccccc34)[C@H]21	2297718180	YBZFOOYQTCSDBT-BNXSYVIRSA-N	500.599	3.795	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6354082	RLROIPQJSJNTAL-XOYGFPHKSA-N	556.482	3.635	10	10	KHCE	
COc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCN(Cc5ccccc5)CC4)s3)CC2)cc1	9228476	FBIZJRYHUFXQSP-UHFFFAOYSA-N	529.714	3.982	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC)c(Cl)c3)c3ccco3)CC2)cc1	38619430	IRAXDWFFCQQACG-JOCHJYFZSA-N	506.024	3.792	10	10	KHCE	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	109699034	NDWIWRSJBQJKHH-DEDYPNTBSA-N	500.898	3.715	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864012092	QYSNHAAKIUBLBO-HSZRJFAPSA-N	520.586	3.905	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865032872	NEMLBOXNMDJQSQ-NRFANRHFSA-N	545.423	3.831	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccco2)C(C(=O)N2CCN(c4ccc(OC)cc4)CC2)=C(N)O3)cc1	1865316170	XBIGOWYSKWZJEH-DEOSSOPVSA-N	541.608	3.741	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(-c4ccccc4C)n3)CC2)cc1	1867960805	KJCOAEWGTLADDZ-UHFFFAOYSA-N	522.657	3.904	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1C	2297345236	FFBLCGJWIHCCSS-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1	33356315	LFGOMQHMYBOSHF-PELVVCESSA-N	544.586	3.701	10	10	KHCE	
CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)S2)cc1	102370885	GZDOOKZODKDSQM-JWQCQUIFSA-N	576.704	3.578	10	10	KHCE	
CCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	110521401	RBDGKGMWPUWLFM-HMAPJEAMSA-N	536.679	3.793	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	256041205	HLVSCNFAKHWYRA-DARDVUJXSA-N	548.683	3.959	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)cc1	1864010999	XXNTWYAMPFJJNK-DEOSSOPVSA-N	534.613	3.981	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020024	UNBUYYXCNFZWIQ-RUZDIDTESA-N	542.640	3.619	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793526	UJDYXXNAOZWDNN-MVSFAKPFSA-N	580.730	3.739	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCN(Cc3ccncc3)C(=O)OC(C)(C)C)C(C)C)CC2)cc1	1868924190	CXNDYAAKDIPXKI-HHHXNRCGSA-N	553.704	3.707	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1C	2297346071	AJFBIZQTRKXIEG-UHFFFAOYSA-N	512.613	3.984	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314829277	UYWATLZDBWSNON-POAQFYNOSA-N	530.693	3.820	10	10	KHCE	
CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	248249254	RPLIXUYFDRCSEF-IMIIHFCZSA-N	540.414	3.748	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)OC	1084406502	YKMZZHSTKMNZQJ-NVNXTCNLSA-N	537.750	3.719	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864007266	JHECDFNBLQVTMK-NRFANRHFSA-N	533.412	3.872	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864008003	ZONVWTQJYQHBNG-VWLOTQADSA-N	528.565	3.620	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1	1864015176	LJPUCGNUFMZILD-INIZCTEOSA-N	506.868	3.929	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864022931	RRLZFDULSJKUSC-SFHVURJKSA-N	525.572	3.512	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867626458	GCGRRPYMXLLGDS-ANZMCEIWSA-N	639.753	3.506	10	10	KHCE	
COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1	1873421097	GQOLPADOBKPZOQ-UHFFFAOYSA-N	530.625	3.651	10	10	KHCE	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	2293426848	BRZGLTYGTPWQLE-UHFFFAOYSA-N	510.462	3.993	10	10	KHCE	
Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	2296634664	YCNQWGQSPHSNJT-UHFFFAOYSA-N	511.007	3.616	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F	2297345999	VKTORKBRCGTNID-UHFFFAOYSA-N	522.967	3.688	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1	2313565229	LOESKNDOCAFDLV-UHFFFAOYSA-N	517.494	3.556	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1	248092597	YHAJWZBQMJSAQI-YTEUAAESSA-N	514.626	3.878	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCc3ccc(Br)cc3)CC2)cc1	1861952409	UNLGHAVSXZNCFF-JOCHJYFZSA-N	518.477	3.641	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864011725	KLXMKAKMYNPEHS-QFIPXVFZSA-N	506.946	3.908	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864015512	ASXVAMRQZOMPLK-HSZRJFAPSA-N	512.566	3.871	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864016876	ZJEXSGFSQNOVIN-HSZRJFAPSA-N	540.576	3.779	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864022535	OAHYXTFRMZFJDI-LJQANCHMSA-N	547.534	3.715	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@H](CO)C2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031239	CATCMWYWMMBKDA-DFBJGRDBSA-N	538.604	3.876	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865031349	FECQFTHIIQGTBE-VWLOTQADSA-N	540.620	3.853	10	10	KHCE	
CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866870752	QCKRPKYUDFYCNZ-UUOWRZLLSA-N	509.562	3.739	10	10	KHCE	
CSCC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866885444	MHKXBEFGCXHOTB-JOCHJYFZSA-N	571.076	3.766	10	10	KHCE	
Cc1nnc2sc(CCC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn12	1867043555	JGYHVSOTFINJDG-HSZRJFAPSA-N	564.627	3.568	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868626684	XCMSFGWHJSCGJJ-XMMPIXPASA-N	563.120	3.526	10	10	KHCE	
CC(=O)NCCN1C(=O)C(NCCc2cn(C)c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873162129	HUSFZRPGAUYHEK-UHFFFAOYSA-N	523.637	3.634	10	10	KHCE	
O=C(O)Cc1csc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)n1	2314937077	FYCZLFNNALFSJN-UHFFFAOYSA-N	513.569	3.992	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC	210747513	QYHOIXIRNOIZNH-RCCKNPSSSA-N	549.696	3.752	10	10	KHCE	
CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	1083895586	KAFUWTIHITZGBV-FKZYXTMDSA-N	564.332	3.872	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)sc(C)c1-c1ccc(F)cc1	1860747109	VHLQVTQGYZUBAA-UHFFFAOYSA-N	512.563	3.848	10	10	KHCE	
CCCCc1ccc(N2C[C@H](C(=O)N[C@@H](CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	1862166346	DKDSAZPOGYIHRH-KCWPFWIISA-N	520.674	3.634	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864007578	PVJPJBBCIWJDMO-AREMUKBSSA-N	536.592	3.912	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2	1864010227	KMYXUIPDEUFTOV-XMMPIXPASA-N	546.624	3.733	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1864011718	KJENTPKQJAWRSD-AREMUKBSSA-N	533.673	3.811	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865026799	AKZZNULUYMWDQD-VVYDWRJNSA-N	510.978	3.576	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865034718	CKAGFPCWHZZGDF-HSZRJFAPSA-N	506.578	3.997	10	10	KHCE	
CC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868627046	FBBCWZLZJGFGMQ-FQEVSTJZSA-N	541.699	3.625	10	10	KHCE	
CC[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868693372	MTKVLWQDNIOUKF-DQEYMECFSA-N	507.631	3.594	10	10	KHCE	
CCCCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870496324	OTVGEYSJAULLBY-UHFFFAOYSA-N	510.679	3.761	10	10	KHCE	
COc1ccccc1OCCCn1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	2297345827	GRKVCNCSMLIGBA-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1C	2297345933	OTKRYLVGXOKLQA-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COC(=O)COc1cc(Br)c(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	2297499007	QYEMSCQAZKRAAY-UHFFFAOYSA-N	537.413	3.556	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	2313548134	MOGAORCESFTDRO-UHFFFAOYSA-N	510.850	3.625	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCC(=O)O	59815885	BXXHIQOSCQKOSY-DEDYPNTBSA-N	525.608	3.752	10	10	KHCE	
CC[C@](C)(NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861994441	QZSLPOVRZNYOFV-IADCTJSHSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2	1864012560	DARJEWHUGVHYRY-DEOSSOPVSA-N	511.582	3.950	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@@H]2CCCC[C@H]2C)=C(N)O3)cc1	1864022961	SNTODMJDLSFOII-YOMUGFJLSA-N	504.587	3.896	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2	1865032802	LDUCDAOBMKLHIB-JOCHJYFZSA-N	549.628	3.571	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865032900	NNZKXCMORFQKTI-JOCHJYFZSA-N	541.004	3.606	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(Cc3ccccc3C)CC1)[C@H]2c1ccc(O)c(O)c1	1865034725	CLHFESAYPIWJDK-VWLOTQADSA-N	531.657	3.614	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865194122	CTDWYGILUZXWLI-DEOSSOPVSA-N	501.631	3.826	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(OC)cc4)[C@@H]3c3ccco3)CC2)cc1	1865303655	NFJNIUDCYLXZGQ-SANMLTNESA-N	541.608	3.834	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868891169	NSNGMIODVOYVLZ-URLMMPGGSA-N	569.662	3.691	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(F)cccc4Cl)cn3C[C@@H](C)O)CC2)cc1	1870636150	RGZLGSLVXOBNQT-LJQANCHMSA-N	516.013	3.931	10	10	KHCE	
CCOC(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	2297312888	UWFBBPJDKXCKEQ-UHFFFAOYSA-N	532.500	3.650	10	10	KHCE	
COc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	2297345689	SFNCDYMBSQHEOB-UHFFFAOYSA-N	528.612	3.553	10	10	KHCE	
CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	33524694	HNGFCTDXTGQSRD-MOSHPQCFSA-N	510.641	3.896	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=O)N=C2S1	101398685	ILRPRKLDUVQRIW-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864013422	WUPXEQBVJYPGHF-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CN(C)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864014384	TYSQJDWHTUNXGU-DEOSSOPVSA-N	525.609	3.713	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867605757	CCINBNDYAASKKN-XZWHSSHBSA-N	607.777	3.514	10	10	KHCE	
CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3cccnc3)n2)C1	1868003708	TUSNKEVQYHSDLQ-QFIPXVFZSA-N	502.619	3.653	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(Cc4ccccc4)n3)CC2)cc1	1869063174	DCPFFTSNDCYCTD-UHFFFAOYSA-N	542.728	3.951	10	10	KHCE	
Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1	1873169313	JQBUEJMIMMOSRW-UHFFFAOYSA-N	512.654	3.913	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C[C@H](C)O1	2296544421	BLXRCFOVPGNACL-ROUUACIJSA-N	598.728	3.623	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	2297578631	QQZDRWMSQRDGND-UHFFFAOYSA-N	515.522	3.702	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(cnn5-c5cccc(Cl)c5)c(=O)n43)CC2)cc1	100817111	RWGPUBYQVCOYEA-FQEVSTJZSA-N	537.045	3.630	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12	102836110	XTFMMFUVCGJQMZ-RYFGYPJOSA-N	536.635	3.724	10	10	KHCE	
CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]21	248380612	QQYFXVRSFQQXMY-CESAQTRVSA-N	529.387	3.677	10	10	KHCE	
CN1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568286	VRVAZIQGMCBYKF-UHFFFAOYSA-N	626.754	3.722	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864017664	RCKDPDGJKBUFIT-DEOSSOPVSA-N	512.566	3.866	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2cccs2)=C(N)O3)cc1	1864023186	VIEADXQMTWELAN-NRFANRHFSA-N	518.595	3.622	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)=C(N)O2	1865029669	SLCZGTAICRRTHZ-DVECYGJZSA-N	546.624	3.732	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@H]2c1ccc(O)c(O)c1	1865031888	QQUKUZBOLSTCNX-DEOSSOPVSA-N	529.641	3.670	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)=C(N)O3)cc1	1865033452	AFQPGHUDZDPTEI-DMPWYTOCSA-N	504.587	3.706	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1865033722	HCVZEYQSGVMDPA-GOSISDBHSA-N	500.477	3.678	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@H]4CCCO4)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1	1871494007	MSOJBKCCFRPONC-HSZRJFAPSA-N	503.651	3.509	10	10	KHCE	
COc1ccc(Nc2nc(=NCc3ccc(O)cc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871562659	NDPCPZCAYOATGS-UHFFFAOYSA-N	513.602	3.699	10	10	KHCE	
Cc1ccc(CN2C(=O)C(=Cc3c(NCCCN4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	2296706755	OERUTXIFOXRCJS-UHFFFAOYSA-N	549.722	3.847	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N[C@H](Cc4ccccc4)C(=O)O)c4ccccc34)[C@H]21	2297718099	FZKZPNLADYIFQF-GIGWZHCTSA-N	522.605	3.990	10	10	KHCE	
CCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858989008	INUXMUDLEFNXNC-UHFFFAOYSA-N	533.606	3.821	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1	1864009309	DYOALIKSJLTOTF-QHCPKHFHSA-N	520.586	3.591	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1864020423	YQRCWDDOXLWMEL-XMMPIXPASA-N	520.630	3.759	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865025990	HGUKIDFVZFWLKQ-NPGVVQFXSA-N	525.005	3.635	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865027045	DNTPMVRHIFHLIQ-MHZLTWQESA-N	537.620	3.694	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865029243	JCJHKAHXDFTJOP-MHZLTWQESA-N	539.636	3.992	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c2nccn2C)cc1	1866007332	LVIONMDVPOFSSC-NOZRDPDXSA-N	535.645	3.719	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866610335	REQUQLLUFYDCLL-XIFFEERXSA-N	580.641	3.547	10	10	KHCE	
CC(C)[C@@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	1866753024	SLHGAJMGNZMWGX-VWNXMTODSA-N	502.542	3.847	10	10	KHCE	
COc1ccc(-c2cc(C(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)nc(O)n2)cc1	1868618083	UEBKBJPPNAUELV-NDEPHWFRSA-N	553.619	3.686	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1	1871493130	STORAVXQRSQALY-UHFFFAOYSA-N	506.010	3.961	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)O)cc1	2297332213	SVMVUBXRVDWDAD-UHFFFAOYSA-N	506.511	3.943	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N21	2297345298	KCMPIBKWLVENQQ-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O	2313561049	RKBGENUQOJAQGL-UHFFFAOYSA-N	510.138	3.982	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	252671531	NLCDXKIMSUKZBC-MHZLTWQESA-N	563.676	3.578	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084646422	NVEXMNWHYCTTRL-NRFANRHFSA-N	576.900	3.986	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864007251	IQZDFSXWEJXYJG-OAQYLSRUSA-N	532.428	3.661	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864011551	VELMLRVQPRHHIA-OAQYLSRUSA-N	546.455	3.915	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864018792	QUPIHLCBOWEKAM-HSZRJFAPSA-N	524.593	3.670	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864019515	KVVVBHWPDGHIBT-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1	1865031794	OELLUJGKZWNTNB-FDDCHVKYSA-N	518.614	3.543	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	2313559295	VVIIFDSDFDBIJA-UHFFFAOYSA-N	535.322	3.595	10	10	KHCE	
CCOC(=O)[C@H]1CCCN(c2c(/C=C3\SC(=S)N(CCc4ccc(OC)cc4)C3=O)c(C)c(C#N)c(=O)n2C)C1	110519942	XYGCWGRZNDAVTN-ORQKMDSUSA-N	580.732	3.797	10	10	KHCE	
CCOc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862174372	NUOJGBLVDIAIBD-AREMUKBSSA-N	517.626	3.549	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864012726	HWNAWGSCGKNRTG-JOCHJYFZSA-N	527.021	3.796	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012965	MZSOWCYVZVCYBJ-VWLOTQADSA-N	534.657	3.885	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019022	UMMZPGIJCDXBLJ-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864021768	GKBWQTCAJRKGAW-GOSISDBHSA-N	528.491	3.610	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3)CC1)[C@H]2c1ccc(O)c(O)c1	1865035384	SBNQBCASCLJBCK-DEOSSOPVSA-N	517.630	3.619	10	10	KHCE	
Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866664361	CRMNBIFPDOADKQ-HSZRJFAPSA-N	543.963	3.737	10	10	KHCE	
CCOC(=O)Oc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2C(C)(C)C)cc1	1869970723	OLMGDHOSFQZMOE-UHFFFAOYSA-N	522.606	3.578	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1	1873168067	IAZCSWXOYXIJLY-UHFFFAOYSA-N	523.593	3.979	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCSCC3)nc12	102432689	LFKSKSNMLRLHDR-UDWIEESQSA-N	538.676	3.686	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1	150611147	IMLDGFQMDLYVMB-XYGWBWBKSA-N	635.768	3.900	10	10	KHCE	
NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864015843	WYRHONJACGJWJG-SFHVURJKSA-N	512.444	3.906	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864019708	PPUOHFNLEFKXJJ-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865030742	PVPMGFTYFPPJJB-DEOSSOPVSA-N	540.576	3.667	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865030778	QRGUWKLRLPPEOF-RUZDIDTESA-N	532.641	3.590	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](CO)C1)[C@@H]2c1ccc(O)c(O)c1	1865031797	OELLUJGKZWNTNB-WZONZLPQSA-N	518.614	3.543	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1865031955	SBGPYRJRDLDIOC-SFHVURJKSA-N	518.492	3.874	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccncc3)CC2)cc1	1865408402	BYKJWTIECWEOBO-DEOSSOPVSA-N	522.609	3.534	10	10	KHCE	
O=C(C[C@@H]1CCCCO1)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867242906	FZHJGVRIYDZQEX-NBGIEHNGSA-N	512.562	3.793	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1	1868583774	QDVQHTHSMYVRKH-LJAQVGFWSA-N	526.637	3.891	10	10	KHCE	
Cc1c(N2C(=O)C(=Cc3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	2314414029	NYYUXLSSQVRGKU-UHFFFAOYSA-N	558.689	3.888	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1cccc(C)c1	20208410	GLNJVSPJJWEZSL-SCORJZKRSA-N	512.613	3.984	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	96459820	GUVPOFOKWCNOSV-QEEMYTIHSA-N	519.004	3.939	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	101694279	NNYAYWCDGBFLAB-AUWJEWJLSA-N	568.174	3.740	10	10	KHCE	
CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143335556	DUEVYHQYGDINLV-QFVADWCQSA-N	570.762	3.871	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	1084076218	HBVAHUDMKJZGFN-GHXNOFRVSA-N	633.233	3.966	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(OC)cc(OC)c3)CC2)cc1	1862126956	XXGYRGAZRILUTG-HHHXNRCGSA-N	521.589	3.541	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@H]2CCCC[C@@H]2C)=C(N)O3)cc1	1864022960	SNTODMJDLSFOII-OHEPNIRZSA-N	504.587	3.896	10	10	KHCE	
CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866801066	RZIKDTLSDNGMSN-HSZRJFAPSA-N	578.643	3.567	10	10	KHCE	
O=C(C[C@@H]1CCCCO1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867242905	FZHJGVRIYDZQEX-CPJSRVTESA-N	512.562	3.793	10	10	KHCE	
CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867832826	GYBAOQUSQMKRNX-DQEYMECFSA-N	572.688	3.764	10	10	KHCE	
CC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868914973	OMXDCHNVYBZPPR-RUZDIDTESA-N	504.631	3.859	10	10	KHCE	
CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1	1871623215	WJXLXKUQQLGPCH-UHFFFAOYSA-N	518.666	3.663	10	10	KHCE	
[N-]=[N+]=N[C@@H](CO)c1cc(I)cc(I)c1I	1951366888	NAYSPPHEJQXZKC-ZETCQYMHSA-N	540.868	3.844	10	10	KHCE	
COc1ccc(NC(=O)CSc2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc1	8851315	DMEZNYCRRXVXNC-UHFFFAOYSA-N	512.657	3.782	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N21	96460777	TXRYHQDNVBZCCM-NSIQDOITSA-N	514.560	3.692	10	10	KHCE	
Cc1ccc(Sc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	100850886	VDLQQQKRMAEURF-GYZOOYGHSA-N	529.690	3.542	10	10	KHCE	
COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H]1c1cccs1	101976878	CQNHJOJAFZYAQQ-VSGBNLITSA-N	548.709	3.622	10	10	KHCE	
O=C(O)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S	102847829	FABMXTJIPZWTIV-PXLXIMEGSA-N	568.702	4.000	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1ccc(OC)cc1	103074657	IUHQLLMQOITYIJ-AREMUKBSSA-N	534.613	3.517	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	103099134	OYXYYYFFQVKIPE-CJLVFECKSA-N	564.689	3.884	10	10	KHCE	
Cc1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	207327960	GNOJBNZEHORHSH-BAOGCXAUSA-N	522.645	3.534	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084137132	BBJVMSHCEZNYJZ-HSZRJFAPSA-N	540.483	3.935	10	10	KHCE	
O=C(O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	1084608970	VQPMNEIUZBQKFK-XGICHPGQSA-N	697.017	3.788	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc21	1858626598	NOFVCDXCJQFXHI-UHFFFAOYSA-N	509.971	3.654	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864010564	NSKVBJMNAIHIFO-DEOSSOPVSA-N	519.646	3.697	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2	1864013363	AHAIDNBRTFDXMW-DEOSSOPVSA-N	536.629	3.801	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864017658	QZWLZCXDVYGBMO-NRFANRHFSA-N	512.994	3.735	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)CC1	1865031309	DUESYRRFLQCHBO-QHCPKHFHSA-N	517.630	3.620	10	10	KHCE	
CC(C)(C)OC(=O)N(CCC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccncc1	1868154133	WWVMGJFJPBSJPO-UHFFFAOYSA-N	542.592	3.739	10	10	KHCE	
COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	2313547947	HEGMGQRMVQZOBB-UHFFFAOYSA-N	588.139	3.879	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	2313682878	MTDTZOXNTSKBJJ-UHFFFAOYSA-N	577.648	3.847	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(cnn5-c5ccc(C)cc5C)c(=O)n43)CC2)cc1	100817787	UNQTZVSNIQTJPN-OAQYLSRUSA-N	530.654	3.593	10	10	KHCE	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	1616129795	XLCWKYBXMKQINL-GIGWZHCTSA-N	522.605	3.689	10	10	KHCE	
Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3C(F)(F)F)cc2)cc1	1859006621	ZBGVFUXCSZBMEL-UHFFFAOYSA-N	507.490	3.737	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1	1861928251	LEDMSUYCEFSGDH-VWLOTQADSA-N	521.589	3.541	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864013034	OPJWAZCKGNBYGY-AREMUKBSSA-N	545.684	3.982	10	10	KHCE	
NC1=C(C(=O)NCc2ccncc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864014792	CPLNYGNOPZNXCY-IBGZPJMESA-N	523.471	3.708	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864019539	LLYYOKQRMNXFDP-VWLOTQADSA-N	526.593	3.925	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1	1868883550	ZGGFSKXPFMHGQZ-UZUQRXQVSA-N	556.461	3.525	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cccc(C)c1	2297345288	IZHWOXXXXSJSBM-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	2297498101	NPQSFCZXIMOKKZ-UHFFFAOYSA-N	503.671	3.862	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S	2314414780	MBBQGZDFTGJUQX-GOSISDBHSA-N	518.705	3.841	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)N(C)C)cc1	40323099	VYVWQJRTOBQISQ-FQEVSTJZSA-N	520.449	3.974	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccc(Cl)cc1	101395634	CIOSBSYDJSFMBQ-HFUGBDTNSA-N	547.014	3.969	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1	101966582	VFTLMJKKKNDMDC-GDNBJRDFSA-N	516.453	3.871	10	10	KHCE	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCc2ccc(S(N)(=O)=O)cc2)cc1	205962770	NJPULHNLMSEMAV-XQNSMLJCSA-N	533.635	3.767	10	10	KHCE	
O=C(O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	1084159407	BPPYRJRMLAFMAK-QCDXTXTGSA-N	697.017	3.788	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864011646	XAHDLVZHBDZLOS-XMMPIXPASA-N	511.582	3.950	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864014833	DIDCBDFGVHKXOB-QGZVFWFLSA-N	538.910	3.803	10	10	KHCE	
CCC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692690	FBJHTPYOUIJCCY-IZZNHLLZSA-N	521.658	3.984	10	10	KHCE	
CCCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870491321	GJPANOCSZCJIOM-UHFFFAOYSA-N	510.679	3.807	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1	1873164738	PRYAETVQOZOTDR-UHFFFAOYSA-N	510.642	3.834	10	10	KHCE	
O=C(O)CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S	2296713635	MWRPMLGZARQCLL-UHFFFAOYSA-N	516.000	3.762	10	10	KHCE	
O=C(CCC[C@@H]1[C@@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)NCc1ccc(N2CCOCC2)cc1	2297643008	CGXGSPCPAFKJPG-RIOMWJCISA-N	545.728	3.720	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2314414318	VYXVQTRMROHUMP-UHFFFAOYSA-N	576.704	3.655	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O	35300184	LIGJOQZQDNMHAP-DEDYPNTBSA-N	510.641	3.861	10	10	KHCE	
CCN(CC)c1ccc([C@@H]2N(C(=O)N3CCOCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1	59074390	JXFKMMVKXDXQDT-RUZDIDTESA-N	500.665	3.689	10	10	KHCE	
CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC	100222164	AGWZJGYBMWFNLR-XYOKQWHBSA-N	526.327	3.669	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1	101399628	PZPVGEGLPVITQC-KQHQIWRUSA-N	540.623	3.870	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864009912	NGHZOPVJYJBNRB-DEOSSOPVSA-N	524.593	3.808	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@H]2c1ccc(O)c(O)c1	1865034499	XWSQKKQCVGEDRF-ZWYHUYAOSA-N	506.525	3.972	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(O)cc3)CC2)cc1	1865113636	FXWRRXCBBBUNSN-RUZDIDTESA-N	517.630	3.605	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1C	1865651183	JRNLAWKGXWEOOO-VWLOTQADSA-N	501.631	3.962	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1	1869113934	QJNZUECCXMUABS-AREMUKBSSA-N	520.653	3.633	10	10	KHCE	
COCCn1c(C(=O)NCc2cccc(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873589700	QLRSAYHIMSJBOD-UHFFFAOYSA-N	514.630	3.651	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4C)c(OC)c3)C(=O)N=C2S1	2297346271	RBNSQTINPKXSSN-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O)C(=O)O	2314931821	RDCMFPARXPUEFN-LLVKDONJSA-N	507.387	3.847	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=N)N21	96460499	WNKGPQUYWNNURC-YLKZWASYSA-N	502.961	3.571	10	10	KHCE	
COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1	101428439	UYFZRGVBPHFSNM-KMRXNPHXSA-N	566.724	3.501	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2	1864009675	KCNIIXINEIFQAD-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
NC1=C(C(=O)NCCc2cnc[nH]2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014412	UODSARBUYKQZPI-DEOSSOPVSA-N	534.576	3.727	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866878422	KRLHFICAHGYNDP-VPTFNQTCSA-N	509.562	3.739	10	10	KHCE	
CC[C@](C)(NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868923477	JFFQQWYPTGGOBM-PMERELPUSA-N	553.704	3.851	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])c(Cl)c3)C(=N)N21	101395790	GDYWFIPFPCCFLL-GQFJHEMJSA-N	533.975	3.839	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OCC)cc1	254442583	DGQAKNDVROYUPF-SANMLTNESA-N	535.666	3.749	10	10	KHCE	
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1	526286298	IKCPBAIWBQUHLH-QHCPKHFHSA-N	505.479	3.737	10	10	KHCE	
CCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CCC)[C@@H]2c2ccc(O)c(O)c2)cc1	1864009301	DQCFDNOQAOIXQK-QHCPKHFHSA-N	520.586	3.591	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864012727	HWNAWGSCGKNRTG-QFIPXVFZSA-N	527.021	3.796	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1	1868752665	RTGAQJZKXMUYGG-GDLZYMKVSA-N	568.630	3.965	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C4CC4)n4nc(C(C)(C)C)cc4n3)CC2)cc1	1868996538	RWTKLCNWYAUJSA-UHFFFAOYSA-N	518.662	3.770	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccccc4F)cn3CC(C)C)CC2)cc1	1870754707	VYAUDJJMYHFTNN-UHFFFAOYSA-N	522.621	3.992	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)Nc5nccs5)[nH]c4c3)CC2)cc1	1872825374	VJFSPGKRMLGMKQ-UHFFFAOYSA-N	508.629	3.721	10	10	KHCE	
Cc1cccc(C)c1OCCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1	2297345207	BXQACZXYNSFZGF-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O	33383406	DYJHYAUQRBTALI-XSFVSMFZSA-N	510.641	3.861	10	10	KHCE	
CCCCCN1C(=O)/C(=C\c2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	33730512	VXEGDTVLRYQFOD-KNTRCKAVSA-N	514.673	3.865	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(NC(=O)CCN3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1	101034417	DRQAGKYOXCFLRR-QJOMJCCJSA-N	554.694	3.821	10	10	KHCE	
COC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	164457833	OBEZEVDUIGHKLB-MLPAPPSSSA-N	711.044	3.877	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1	207324619	QOOUGJXIMGNCPZ-QAEAHILHSA-N	526.752	3.925	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1	210748233	LJTXULBCCCOYIY-XMHGGMMESA-N	507.634	3.873	10	10	KHCE	
CC(=O)OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	1848441389	MNQMLQGCMXOQCB-LWUBGYQZSA-N	559.757	3.793	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864020402	YCZIQRGCDJJZBJ-RUZDIDTESA-N	531.657	3.592	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865032129	WERKFUDXXXBDKK-HYFFOGBASA-N	504.587	3.702	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867791342	OTRHBJYEJRSEPO-UHSQPCAPSA-N	580.730	3.739	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1	1868760213	IXGMJXXZWSZCEQ-LJAQVGFWSA-N	523.637	3.879	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)n(C(C)(C)C)n3)CC2)cc1	1869970107	FMWQHIYNVNKLTB-VGOFMYFVSA-N	505.579	3.928	10	10	KHCE	
CCOCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870564182	DMGSHDKHYSMLAK-UHFFFAOYSA-N	510.635	3.790	10	10	KHCE	
COC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1	2297312523	WPZWOTQKHNWHIM-UHFFFAOYSA-N	519.457	3.729	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1	2314769731	URIJZVQWQXPNJR-UHFFFAOYSA-N	543.461	3.525	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S	33498243	WRLZPLWYQHTGOH-WRDGEJPTSA-N	518.705	3.841	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCCC3)SC2=S)cc1OC	33811875	NIKWIAYMDNNHEX-HMAPJEAMSA-N	524.668	3.627	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S	33811973	NLTVLUJZNYDZMW-SBGXLDQMSA-N	501.722	3.735	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12	150611143	GPKARVOAEFDXMB-UQQQWYQISA-N	635.768	3.900	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccc(F)cc3)CC2)cc1	1861951388	XLUPHHJWKSSMGK-ODVZWJMOSA-N	503.574	3.629	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864008190	FLIKHTGWMWYQDV-JOCHJYFZSA-N	548.397	3.760	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864012943	MQYLMOVZNWAIGC-HYBUGGRVSA-N	518.614	3.593	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1	1864021324	ATSUKGHFLIYFFY-IBGZPJMESA-N	532.519	3.859	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865028748	ZRGBYLCFVUVVHK-RUZDIDTESA-N	534.613	3.537	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3OC)CC1)=C(N)O2	1865030037	AVVOTDBNICHCSY-VWLOTQADSA-N	547.656	3.709	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865089172	GZZGRNQQPXRFLK-JOCHJYFZSA-N	508.022	3.688	10	10	KHCE	
CCCCNC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870954847	JNHDJKUQLJXVFF-UHFFFAOYSA-N	508.619	3.508	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2296110716	XLOYWHRVYNANHK-UHFFFAOYSA-N	531.977	3.976	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	2296910582	PTLFCOUVJWWLFM-UHFFFAOYSA-N	517.332	3.904	10	10	KHCE	
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314400674	QAHCQAKPJMIHFS-INIZCTEOSA-N	543.717	3.851	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314829316	XLSWCVWJTJYQBF-YRISNDGFSA-N	560.719	3.829	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@@H]3CCCO3)nc12	100885800	RKFLQKGDPNBKTB-QCBCRBAMSA-N	588.715	3.797	10	10	KHCE	
CCN1/C(=C/C=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(CC)c2=O)Sc2ccc(OC)cc21	254615434	ASNUFGUMUZBIJP-JWPZBMQLSA-N	518.664	3.766	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864014374	SZOUXYNTJIPOSL-LZFBQGOESA-N	536.673	3.797	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@H]2c1ccc(O)c(O)c1	1865032296	ZXXUQXWITWFHLB-DEOSSOPVSA-N	531.657	3.865	10	10	KHCE	
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccncc2)[nH]n1	1867160759	DGNQALRRBDDQHL-AREMUKBSSA-N	557.566	3.933	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867793447	RPARBACXLLSHQP-WNJJXGMVSA-N	612.797	3.692	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3Cc3cccnc3)CC2)cc1	1870564341	LNJWTYQFWFXKIK-UHFFFAOYSA-N	515.614	3.806	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@H](C)O1	2296849807	YFUVGIFMSIQAEH-OALUTQOASA-N	551.694	3.869	10	10	KHCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1	2332106579	IMWQUHVDMHUYJS-UHFFFAOYSA-N	514.582	3.644	10	10	KHCE	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	33334139	MGTPMZAVPRCRTB-GZTJUZNOSA-N	500.248	3.711	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)CC2)cc1	102861139	JFZXPRGFEWPSIU-OLCUMFGGSA-N	577.732	3.718	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864008143	DDWZFVIVOWPTJY-VWLOTQADSA-N	512.566	3.920	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864013434	WWHBHZWZPCVXSE-RUZDIDTESA-N	533.673	3.756	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864015507	APZBEIIBQRSYKN-QHCPKHFHSA-N	522.565	3.869	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865027565	ZDKBNELBTRSROQ-HUYGQZFBSA-N	525.005	3.635	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2	1865034737	CPZGKEPKBLKRTM-XMMPIXPASA-N	517.630	3.537	10	10	KHCE	
COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1C	1867099146	JFVZDVZAEVLGRP-HNNXBMFYSA-N	526.524	3.767	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867161974	IQFDXPNJCSMATD-OAQYLSRUSA-N	525.590	3.737	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O	1867500154	XMWMEDWFFQCGFK-UVQZXEQTSA-N	625.726	3.636	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3CCCCCCO)CC2)cc1	1870564835	HSVWXKCBCLKVLS-UHFFFAOYSA-N	524.662	3.916	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccc(F)cc4)cn3CC(C)C)CC2)cc1	1870734546	KDIAFMKYOZMIQV-UHFFFAOYSA-N	522.621	3.992	10	10	KHCE	
CCOCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871032855	AIUZIWJEBGFNEE-UHFFFAOYSA-N	520.630	3.868	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2296936301	LLTUOZVOQWYSGY-UHFFFAOYSA-N	607.360	3.762	10	10	KHCE	
O=C(CCN1C(=O)C(=C2SC(=S)N(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)SC1=S)Nc1ccccc1[N+](=O)[O-]	2297312569	MHZKUTKYISUHJG-UHFFFAOYSA-N	646.710	3.793	10	10	KHCE	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2)cc1	14022655	ORYMFBFGWVJLBC-QGZVFWFLSA-N	504.564	3.510	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1	15034857	RZBFSFWQTNGZHN-UEXNTNOUSA-N	514.581	3.532	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1	104563402	GOSLLLWNLSZQJH-NFBUKIRSSA-N	526.596	3.704	10	10	KHCE	
COc1ccc(N(C)CCC(=O)N2CCC3(CCCCNC(=O)c4ccccc4OCCN(C)C3=O)CC2)cc1	643587476	FQFADPQNKJVUID-UHFFFAOYSA-N	550.700	3.581	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OCC)c(OCC)c1)=C(N)O2	1864009811	FGBRMIIYJKNXAN-XMMPIXPASA-N	536.629	3.635	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864013523	XRUMXUZCCGOEBP-VWLOTQADSA-N	542.640	3.701	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc21	1866863055	OXUUHYNXPKJCAZ-KMRXNPHXSA-N	573.605	3.887	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437349	FSLONKUOABIOLI-VSGBNLITSA-N	593.794	3.952	10	10	KHCE	
COC(=O)c1ccc(CN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873166245	IMKLWGOEENSEPV-RUZDIDTESA-N	513.594	3.929	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296540714	JIODCCTYNQGEAJ-UHFFFAOYSA-N	509.632	3.690	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	2296697868	UKCSRDWPZBSJEN-QFIPXVFZSA-N	561.733	3.705	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	2297460352	XQLMUFZQNOJEQW-ROUUACIJSA-N	536.679	3.761	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(NC[C@H](O)c3ccccc3)nc12	102994674	GLBOLZDLYLYRSZ-GDUPUGJQSA-N	552.678	3.995	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	103593568	ZWDWFNYRQVXCPI-OHRCVCCMSA-N	533.610	3.703	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864008108	CAJHHSPUXHQRJO-DEOSSOPVSA-N	506.603	3.918	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2	1865030995	WPDMTTYCXSYZHR-XMMPIXPASA-N	549.628	3.517	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865033934	KUBRDHMHVIJYLU-OPAMFIHVSA-N	504.587	3.943	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866605824	YJCRYQQSKWNEAM-INIZCTEOSA-N	547.523	3.608	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867614604	YZIRACLDLJKKKI-XZWHSSHBSA-N	591.778	3.809	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCNc3ccccc3OC)c3ccccc3)CC2)cc1	1868797435	AXVZFSJDFUEZBQ-NDEPHWFRSA-N	502.615	3.712	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3csc(-c4ccncc4)n3)CC2)cc1	1868910290	VTQAMGCABJISRW-NDEPHWFRSA-N	571.703	3.928	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CC(C)(C)c6ccccc6[C@H]5C4)nc(C)n3)CC2)cc1	1869299951	IJXBGFZBCZNXIS-AREMUKBSSA-N	512.658	3.801	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2295838616	PZRAAVNPLCVHHY-HXUWFJFHSA-N	530.693	3.502	10	10	KHCE	
O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	6023277	PVJGGZJIFKRDDO-SFQUDFHCSA-N	516.651	3.784	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	102138741	IHCSDAIKBHWQPP-VVFABFHNSA-N	555.472	3.553	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccc(C)cc1	104562638	IYLVYQFTPORWTE-ADKREUBMSA-N	542.639	3.861	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110523129	DGLUGEUTVZDICE-JCMHNJIXSA-N	569.684	3.580	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864011847	ZDWFKGLQRDGZDU-AOMKIAJQSA-N	525.005	3.879	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864012434	ZUMFPSAAJXHJCC-HSZRJFAPSA-N	527.021	3.930	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1	1864022687	PVTIOZNEGPXBIQ-QHCPKHFHSA-N	510.550	3.932	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865026911	SUMZMMMCFJAXQT-XMQCVEROSA-N	542.995	3.774	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865028295	VEPKSGZQGICMLN-SANMLTNESA-N	523.593	3.635	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865029085	FTMPMZIMCQJZOZ-QQMNAOGKSA-N	504.587	3.566	10	10	KHCE	
Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867196709	AGWHTSLUPFAJDF-QHCPKHFHSA-N	588.414	3.846	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCc3ccccc3F)CC2)cc1	1868601780	QAFXUCYMGXWVPA-GDLZYMKVSA-N	547.627	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3nn(-c4ccc(Cl)c(Cl)c4)c4c3CCC4)CC2)cc1	1868772046	DEPOYCUTMRXNCL-UHFFFAOYSA-N	528.440	3.755	10	10	KHCE	
CCS(=O)(=O)c1ccc(O)c(N=c2nc(N3C[C@H](C)C[C@@H](C)C3)[nH]c(N3C[C@H](C)C[C@@H](C)C3)n2)c1	1871737192	WNEPZXFNPBNXMR-NCXUSEDFSA-N	502.685	3.501	10	10	KHCE	
N=C1C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(N3CCOCC3)=NN12	2297352583	CUXLGQIJECIUTB-UHFFFAOYSA-N	500.584	3.629	10	10	KHCE	
Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Br	2297499190	DJWZDDZONAZRID-UHFFFAOYSA-N	533.429	3.958	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O	2314831007	AIBCVKHWQURLQB-UHFFFAOYSA-N	503.558	3.938	10	10	KHCE	
COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	101350294	WQVGGGRFPAYRJJ-XMHGGMMESA-N	526.958	3.728	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1	102391499	CWUJCVPCARKCPL-YDZHTSKRSA-N	563.705	3.663	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	110391388	PXEFSYPCARDYJE-MOSHPQCFSA-N	524.624	3.663	10	10	KHCE	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccccc4OC(F)F)c(=O)n32)cc1	254741296	WJDJWXPSQYEACQ-QHCPKHFHSA-N	527.593	3.856	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	1084244699	PGPXAGVQZZVYOY-JCMHNJIXSA-N	521.574	3.633	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(C)cc2)[C@H]3c2ccc(O)c(O)c2)cc1	1864007587	PYAVYMVCFDCPMH-SANMLTNESA-N	526.593	3.962	10	10	KHCE	
NC1=C(C(=O)N2CCCC[C@H]2CCO)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1865031585	KHRFILGIQMHXRB-OXJNMPFZSA-N	544.530	3.760	10	10	KHCE	
COc1cc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)ccc1OCCN1CCOCC1	1865665457	UQWBUOJGAPBCOC-RGEXLXHISA-N	507.484	3.889	10	10	KHCE	
CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867819312	UBJONEWLGFQLMU-ILBGXUMGSA-N	540.621	3.729	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4cccnc4)n3)CC2)cc1	1869376148	LKEGZAGJTPWNKK-MUUNZHRXSA-N	539.615	3.690	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(C3CCN(C)CC3)C2=O)cc1	1873168958	RLGMBWYPJJCVQT-UHFFFAOYSA-N	508.626	3.934	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCCCn3ccnc3)nc12	2296697796	MTUWHRAEMSXLLB-UHFFFAOYSA-N	506.613	3.696	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1C	2297344971	BZQWLDQEXJHQCJ-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1	2297345128	TVOAXWCGNFFJOX-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
O=C(O)CCN1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	2314650392	DNENXYJVLHMKDB-UHFFFAOYSA-N	521.623	3.880	10	10	KHCE	
C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O)C(=O)O	2314931822	RDCMFPARXPUEFN-NSHDSACASA-N	507.387	3.847	10	10	KHCE	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1	101429212	LPFCQAHZGVXFJY-RBTNQOKQSA-N	545.709	3.965	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	104709336	QSHBMLUTNGZWAB-LQDTWPQUSA-N	537.627	3.720	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2C(=O)OC)cc1	1860763926	RWKRGBIERSHNGV-UHFFFAOYSA-N	581.647	3.741	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864013298	VLYUFRZCCUFHNO-HSZRJFAPSA-N	549.031	3.725	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864014817	CZOZKLGFCSNLID-MRXNPFEDSA-N	508.884	3.846	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)CC2)cc1	1868760954	FSRNBHXAVVUUTH-RUZDIDTESA-N	521.687	3.698	10	10	KHCE	
Cc1c(C(=C2C[C@H](C(C)C)C(=O)[C@@H](CN(CC(=O)O)CC(=O)O)[C@@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O	2048409371	HIEMKKVAUHDMPJ-QZANCMGBSA-N	760.859	3.812	10	10	KHCE	
O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	2284995486	BALUCMGONZRXJA-QHCPKHFHSA-N	504.539	3.529	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC	2296247610	LKBNNNPZDXHSHV-IBGZPJMESA-N	541.676	3.945	10	10	KHCE	
COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1	2296546068	KXUDBNOVNCADLV-UHFFFAOYSA-N	501.611	3.637	10	10	KHCE	
Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	2296629404	OBOTURLJNDQZNG-UHFFFAOYSA-N	511.007	3.616	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	2313682980	OVIWPSWVUCOASF-UHFFFAOYSA-N	571.015	3.591	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(CN4CCCn5nc(C)cc54)cc3)CC2)cc1	20995953	PHPCIZIWZHBQHM-UHFFFAOYSA-N	502.663	3.553	10	10	KHCE	
CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3F)CC2)SC1=S	39989861	LCSJLOBPZYLISY-STZFKDTASA-N	511.648	3.735	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	100886061	XKALFFQRPQJUMA-RGVLZGJSSA-N	524.624	3.581	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865026218	KEXFGGWEVNRYNB-DEOSSOPVSA-N	538.048	3.552	10	10	KHCE	
COc1cc2c(cc1OC)CN(C(=O)C1=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]1c1ccc(O)c(O)c1)CC2	1865029607	RGGKBVZAPWDCRW-VWLOTQADSA-N	534.613	3.555	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@H]2CO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031790	OCPBCELPMWTFRI-XUZZJYLKSA-N	524.577	3.628	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1	1871580758	VGDZXVDXYBBRTE-UHFFFAOYSA-N	517.584	3.993	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@@H](C)O)[nH]c(=Nc4cc(C(C)C)cc(C(C)C)c4)[nH]3)CC2)cc1	1871674588	YBQIPTYSPQHFJT-OAQYLSRUSA-N	519.694	3.834	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1	2297059829	LEHQPRFGUXRVBZ-UHFFFAOYSA-N	509.518	3.720	10	10	KHCE	
COC(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Br	2297499005	OONNNCJDJUYHRR-UHFFFAOYSA-N	507.387	3.547	10	10	KHCE	
Cc1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314600110	GNOJBNZEHORHSH-SFHVURJKSA-N	522.645	3.534	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	101397349	BJDGKKXNBWJKSA-LSZLNTRYSA-N	528.015	3.995	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O	103849215	WLPTXQLJWFPKKG-WDZFZDKYSA-N	514.101	3.731	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc(-c4ccc(Cl)c(Cl)c4)n(C)n3)CC2)cc1	1861882477	BLLRVEHYTINAAY-INIZCTEOSA-N	516.429	3.870	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2	1865032979	OXZXJMVZOZMELV-MWTRTKDXSA-N	504.587	3.950	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035002	JBEQBCLWRGEMSO-GJZUVCINSA-N	546.668	3.980	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865333716	LGTFFZIUTHPPST-RUZDIDTESA-N	542.665	3.943	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(OC)c1	1865581499	FTYDCRFUTRKMTR-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
COc1cccc(OC)c1C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867367820	AFYULJVKKVHRPC-RPWUZVMVSA-N	542.746	3.965	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867485562	YZVZICWUQFKLAG-GYBHTYNJSA-N	657.743	3.645	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804031	DVXXLZUAIZAHPW-VWNXMTODSA-N	541.649	3.530	10	10	KHCE	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867908575	WPDMHUHCXLIEDE-LYZGTLIUSA-N	571.678	3.604	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4c(OC)cccc4OC)n(-c4ccccc4)n3)CC2)cc1	1869970735	WJMUVIFBDLSDIO-UHFFFAOYSA-N	514.586	3.872	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	2297350755	OCXICPFQZMPJPD-UHFFFAOYSA-N	537.627	3.712	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	40940479	HAJHEUZPYVEGOU-ZSOIEALJSA-N	510.347	3.618	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=N)N21	96460493	LYKBLOUZHWGNSU-NBDIUVDISA-N	502.961	3.571	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1	100849835	WXCQZDMMYRWTCZ-HMMYKYKNSA-N	541.699	3.815	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864009951	GIKWUOQJDAJCQF-VWLOTQADSA-N	549.672	3.787	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018344	JACTUAICGBXWNO-JOCHJYFZSA-N	527.021	3.794	10	10	KHCE	
NC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1865034412	WASURWKRIJHYAV-GOSISDBHSA-N	515.492	3.795	10	10	KHCE	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2C	1865258866	ROYOEIXDNFTXRM-RUZDIDTESA-N	547.656	3.578	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865602487	JOIVUSKICVASTI-QHCPKHFHSA-N	504.635	3.626	10	10	KHCE	
CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867571794	VIADSMBJNBJREZ-FYQCMVGJSA-N	547.700	3.609	10	10	KHCE	
CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1	1873422472	YXRASENTYRRMBB-UHFFFAOYSA-N	513.598	3.771	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	2296697867	UKCSRDWPZBSJEN-JOCHJYFZSA-N	561.733	3.705	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	2313540731	QQZNJKSMSSXTMS-UHFFFAOYSA-N	503.515	3.858	10	10	KHCE	
CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1Cc1ccccc1	254615455	BOHMVTQGCXKDBB-UHFFFAOYSA-N	510.644	3.839	10	10	KHCE	
CCOc1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1	1859006232	KJMZJDPYQOKYKG-FRKPEAEDSA-N	509.584	3.517	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1	1864008348	IQZCBNKFVUQXIE-FKIZINRSSA-N	513.392	3.964	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864021179	MOGBWKXYCZVWFZ-DFBJGRDBSA-N	526.593	3.989	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3cccn3C)CC2)cc1	1865345944	ZAAGPKWREPEVTQ-HHHXNRCGSA-N	538.652	3.880	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccccn4)cn3CCC(C)C)CC2)cc1	1870502623	ONJOOZOEJXEKJI-UHFFFAOYSA-N	519.646	3.638	10	10	KHCE	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CS[C@H]21	1874017996	ZZABULHDRAIVAN-DNOBIOAJSA-N	500.532	3.688	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccc(OC)c(OC)c5)ncnc4n3C)CC2)cc1	1875196160	KUOGNHIBZFZFCT-UHFFFAOYSA-N	530.629	3.611	10	10	KHCE	
CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21	2313623838	GDERUJIMGWGHMX-UHFFFAOYSA-N	502.365	3.761	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314829275	UYWATLZDBWSNON-IMFGXOCKSA-N	530.693	3.820	10	10	KHCE	
CCC(=O)N[C@@H](Oc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	83333592	FBKCZIRZUACWRV-YHVDPYDOSA-N	511.836	3.964	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccccc1	101395040	UZTZTNGFWLCQLE-OCTOJFLBSA-N	528.612	3.554	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=N)N21	101395304	SZYOAPDXMXUQGE-MBYGRGGXSA-N	542.639	3.781	10	10	KHCE	
O=C(Nc1ccc(O)cc1C(=O)O)c1cc(N2C(=O)c3ccccc3C2=O)cc(N2C(=O)c3ccccc3C2=O)c1	104901830	OVPWWWIEQVEXFS-UHFFFAOYSA-N	547.479	3.944	10	10	KHCE	
CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	110525156	STWVGGUNTIKLTC-BWAHOGKJSA-N	565.765	3.998	10	10	KHCE	
COc1ccc(CCNc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC	143269676	VAFCQIZYHUCXQX-QRAWFLTRSA-N	554.694	3.617	10	10	KHCE	
O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O	210496254	NVFFUUAHRWSGMS-OVCLIPMQSA-N	508.480	3.524	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C(=O)O)c1	1084551705	QHLQOFZZRIBPAP-PDGQHHTCSA-N	506.511	3.943	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)sc(C)c1-c1ccc(F)cc1	1860746924	KNXBWBPNLDONCW-UHFFFAOYSA-N	511.531	3.972	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864012380	YVGUPDMFXZBXNO-RUZDIDTESA-N	520.630	3.977	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864019700	PEXGWOVXSTVEIH-JOCHJYFZSA-N	527.021	3.532	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1cccc(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865053531	PPJPVSZZGDUEGZ-VWLOTQADSA-N	531.657	3.859	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865194123	CTDWYGILUZXWLI-XMMPIXPASA-N	501.631	3.826	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1	1868716386	FJMICUPGHBRUIL-XMMPIXPASA-N	529.703	3.622	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H](C)C3CCCC3)CC2)cc1	1868874128	ATMCEGBJSNSYSB-RBTNQOKQSA-N	521.658	3.823	10	10	KHCE	
CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	2285001975	ZZLXVQGOHWKBMS-QFIPXVFZSA-N	504.539	3.527	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	2297467970	PODBFRLDDZGJIJ-UHFFFAOYSA-N	533.591	3.915	10	10	KHCE	
CCc1ccc(NC(=O)[C@H](C)N2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	2326941520	BMAKCZMOODWLSQ-AWEZNQCLSA-N	509.609	3.669	10	10	KHCE	
CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990492	AXFHASLBICQUTL-BFURNPMBSA-N	516.689	3.987	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865029822	WASFBBNXPZPGFB-AOMKIAJQSA-N	525.005	3.567	10	10	KHCE	
CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O	39989930	HMUMTVLKJVTSDB-JWGURIENSA-N	508.669	3.719	10	10	KHCE	
O=C1[C@@H]2[C@H](c3ccc(N4CCCC4)cc3)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C(=O)N1C1CCCCC1	106577868	ZQFUYLSHGJWUIJ-OKUYAMHMSA-N	546.624	3.839	10	10	KHCE	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)C2=O)cc1	606671898	BVKLREPTKLZSJP-QXGHTGFUSA-N	553.706	3.539	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864009328	FKNWDXDZFOAZSJ-HSZRJFAPSA-N	535.963	3.850	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1864010616	ABYSHTHMFSINJU-DEOSSOPVSA-N	506.603	3.505	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864019566	MOGROGYEJKYXCA-AREMUKBSSA-N	545.684	3.900	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(-c4cccc(OC)c4)n3)CC2)cc1	1869304731	GAEDBTKXXWSJML-SANMLTNESA-N	569.666	3.813	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccnc4)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1	1871728694	GSRMJCCDYDHWMB-UHFFFAOYSA-N	518.625	3.955	10	10	KHCE	
COC(=O)[C@@H](CC(C)C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	1616129155	QHRZREPJQBQDFC-AMGIVPHBSA-N	502.615	3.882	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864009541	AIZFWBQHPLXFGV-SANMLTNESA-N	536.592	3.843	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864013113	QHEQZUCIIXELID-VWLOTQADSA-N	533.673	3.674	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865030695	OUKQMVXEBZCBCG-WZONZLPQSA-N	539.032	3.626	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030898	UCEQJYHNNWYDML-JOCHJYFZSA-N	525.005	3.502	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1C	1865034074	OJGZBZBOWCKIIE-FQEVSTJZSA-N	543.546	3.510	10	10	KHCE	
O=C(CCc1csc(-c2ccccc2)n1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867048504	DIQWAMZURVDKSX-HSZRJFAPSA-N	525.586	3.634	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(OC)c(Cl)c4)[nH]3)CC2)cc1	1871679166	OOQZNXZJCYPHKZ-UHFFFAOYSA-N	512.058	3.914	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)CC1	1873162471	WTDPHGDZJSNXRY-XMMPIXPASA-N	520.630	3.564	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1	1873169815	XFDMKHBUSGDZNC-UHFFFAOYSA-N	566.706	3.995	10	10	KHCE	
COc1c(I)cc(I)cc1C=C1C(=O)NN(c2ccc(C)cc2)C1=O	2297505959	HPVZYPBJZYRUBA-UHFFFAOYSA-N	560.129	3.674	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600298	YPOAGUSEMNBDIL-IBGZPJMESA-N	548.708	3.794	10	10	KHCE	
O=C(O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br	100448592	VEWCLEIZPLTUNU-XGICHPGQSA-N	558.179	3.645	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	100849831	HNZAXDKZYNUVFT-JJIBRWJFSA-N	623.757	3.743	10	10	KHCE	
COc1c(I)cc(I)cc1/C=C1\SC(=S)N(C)C1=O	113830361	VIAPTEBKDWEXNF-WTKPLQERSA-N	517.151	3.735	10	10	KHCE	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC	1084592661	KVSWJIRLICTSIK-DHDCSXOGSA-N	520.323	3.982	10	10	KHCE	
Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1	1859007940	VKXFZGBRBDCBHA-UHFFFAOYSA-N	507.490	3.737	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865033935	KUBRDHMHVIJYLU-ZHRRBRCNSA-N	504.587	3.943	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3C)CC1)[C@H]2c1ccc(O)c(O)c1	1865035701	ZMSQYXLCLPHQIC-VWLOTQADSA-N	531.657	3.927	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(O)cc3)CC2)cc1	1865113637	FXWRRXCBBBUNSN-VWLOTQADSA-N	517.630	3.605	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccn1C	1865352047	YAXCRBZAFOJLPY-VWLOTQADSA-N	538.652	3.961	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867149591	AKPFKVJPVGBIDF-AREMUKBSSA-N	562.582	3.968	10	10	KHCE	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867440713	NEJDPGWSLNWZNF-MNNSJKJDSA-N	625.726	3.739	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1	1868691267	ISAHJVNAHZIOHR-XMMPIXPASA-N	507.631	3.594	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1	1868904368	VTVPUPACGGXOHF-DTXPUJKBSA-N	541.648	3.800	10	10	KHCE	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)CC1	2314477000	ZMCILXQJSPAHIZ-VWLOTQADSA-N	700.886	3.891	10	10	KHCE	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(Oc3ccc([N+](=O)[O-])cc3)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	27436691	SZNPXGNCMDBAAE-XUVXKRRUSA-N	589.414	3.911	10	10	KHCE	
Cc1ccccc1NC(=O)CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)s1	54201832	JFBGONVJFWULJH-MSUUIHNZSA-N	508.610	3.982	10	10	KHCE	
Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Br	102467792	DJWZDDZONAZRID-MRDWGVERSA-N	533.429	3.958	10	10	KHCE	
CC[C@H](C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)OC	1616129048	KRJNWOXNCNWARZ-STNVRERYSA-N	502.615	3.882	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864010740	BELOBQBBQRLJBY-XMMPIXPASA-N	518.520	3.940	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864012281	WTMQGYDSGNAWDF-QHCPKHFHSA-N	527.021	3.930	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864017415	LPMZVUVTLFHSQW-QHCPKHFHSA-N	500.530	3.996	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCc4ccccc4C2)=C(N)O3)cc1	1865034404	VZZJMSROWWARJR-DEOSSOPVSA-N	524.577	3.786	10	10	KHCE	
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nn1	1867269712	COVKCZBJEYKYCW-QFIPXVFZSA-N	526.936	3.591	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(F)cc3)ncnc21	1875223501	KQMFUNVKQAMVQZ-UHFFFAOYSA-N	518.593	3.800	10	10	KHCE	
COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1	2296063160	YWJZDEWBEUIUKZ-UHFFFAOYSA-N	520.615	3.743	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4cccc(C)c4)cc3)C(=O)N=C2S1	2297346168	IXQSEXQQZUJADM-UHFFFAOYSA-N	512.613	3.854	10	10	KHCE	
Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	2297362476	MZQFDZLHWZNDRX-UHFFFAOYSA-N	500.467	3.587	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509043	NPZPHBFJGJCUSQ-UHFFFAOYSA-N	576.719	3.859	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=N)N21	96460207	GPMFGPSHUZEUEJ-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864018393	KHRFOHIEOZLLLS-QHCPKHFHSA-N	524.593	3.670	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864023252	WKCFJWBDEVGIRQ-DEOSSOPVSA-N	542.592	3.806	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865029566	QLVALHTVIRSELD-RUZDIDTESA-N	531.657	3.542	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514490	JMSHWNQNAXZOJI-LQJZCPKCSA-N	655.796	3.775	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCOCC5)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1	1869257562	AHVUREHAMJSGEE-UHFFFAOYSA-N	606.171	3.503	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Br)cc1	2297346040	YJLLGSODEXRVHE-UHFFFAOYSA-N	549.428	3.658	10	10	KHCE	
COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1	2297346433	BLMYHTCXOACFLU-UHFFFAOYSA-N	542.639	3.800	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C[C@@H](C)O1	2314476217	KZXUMNHZRDCHPZ-NHCUHLMSSA-N	634.784	3.505	10	10	KHCE	
CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S	2314760072	IQGWEBPIIMMJHZ-UHFFFAOYSA-N	508.662	3.877	10	10	KHCE	
CC[C@@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1)C(=O)O	2314929167	IFZPKBLLKATUPB-MRXNPFEDSA-N	513.018	3.677	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3O)C2=O)cc1	100137086	PCFIIMSKRNHJST-QPEQYQDCSA-N	574.112	3.576	10	10	KHCE	
CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	206865135	MUCLPWXXMRZSJU-HKWRFOASSA-N	506.646	3.631	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864012712	HHQLBLXZNLMPHQ-HSZRJFAPSA-N	506.603	3.531	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1	1864017858	XHTXLZGKUWUSPX-JOCHJYFZSA-N	522.602	3.616	10	10	KHCE	
Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	2297467785	RVKGAUZOXRPKIF-UHFFFAOYSA-N	544.559	3.981	10	10	KHCE	
O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	2297624369	KSGILHOVJSYPSP-UHFFFAOYSA-N	517.235	3.626	10	10	KHCE	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1	96460647	LHYTXLCQIBBELX-JNTYBJLZSA-N	514.585	3.771	10	10	KHCE	
COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	103858243	OAOFILXTHYCJNQ-SDQBBNPISA-N	572.109	3.637	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccc(C)c1	104562451	IHGNEDGPYDERTJ-KQHQIWRUSA-N	540.623	3.870	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCCCN3CCCC3)c2C(=O)OC)cc1	1860763903	QVQCAVZDLJWKOJ-UHFFFAOYSA-N	572.728	3.688	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864012446	ZZVGHJUQQLHTAC-JOCHJYFZSA-N	512.994	3.542	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864016922	AIQXBFLKZDUUKL-RUZDIDTESA-N	531.657	3.841	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1865031382	FRJWPVIPZKMDDA-HSZRJFAPSA-N	534.613	3.724	10	10	KHCE	
CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867470382	ZHTVCHHKKMRMDC-VSGBNLITSA-N	619.763	3.700	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868618316	AAPFTJVOVICOGI-AREMUKBSSA-N	577.147	3.916	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(-c4ccc(F)cc4)n3)CC2)cc1	1869267165	OHOAZVJXPVEJEV-VWLOTQADSA-N	557.630	3.944	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21	1873558086	HSSVTLORFGBCHZ-NHCUHLMSSA-N	506.651	3.531	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccc(F)cc3)CC2)cc1	2328573362	XLUPHHJWKSSMGK-MHZLTWQESA-N	503.574	3.629	10	10	KHCE	
Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1C12CC3CC(CC(C3)C1)C2	253575760	UZVPWYUPWMQASB-UHFFFAOYSA-N	513.623	3.966	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCCOc3ccccc3Cl)CC2)cc1	1862227530	HSVQUVXVWJCUGL-QFIPXVFZSA-N	504.052	3.758	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2	1864019246	XCXJXOIPYKRORP-FQEVSTJZSA-N	500.958	3.917	10	10	KHCE	
CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)CC1	1867987045	DJGAEFJREHPLQQ-UHFFFAOYSA-N	520.609	3.896	10	10	KHCE	
CCC[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868924130	BTBHOECDQQNQRY-AREMUKBSSA-N	553.704	3.851	10	10	KHCE	
CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(\C)NCCCN1CCOCC1	13284702	LNPDPJJZYYDXHF-QGOAFFKASA-N	500.235	3.520	10	10	KHCE	
CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990437	FSTDUIWBSMXBLS-VUFYJBQKSA-N	502.662	3.741	10	10	KHCE	
COc1ccc(N2CCN(CCNC(=O)c3cn(-c4cccc(OC)c4)c(=O)c4ccccc34)CC2)cc1	63547520	XZZVRLCEZNBNLI-UHFFFAOYSA-N	512.610	3.560	10	10	KHCE	
Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl	101061882	DLUILGZWSQUGIR-XWAFYUISSA-N	548.067	3.837	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	1615296196	HLVSCNFAKHWYRA-MHXJAFHZSA-N	548.683	3.959	10	10	KHCE	
Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)cc1	1859007282	QZZXEZJCDOTZEG-UHFFFAOYSA-N	530.002	3.721	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864018537	NFZMKYKABLOACL-HXUWFJFHSA-N	500.958	3.918	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864019327	IUGDBDRGEMLCMO-QHCPKHFHSA-N	506.603	3.531	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865028633	WWEWWLJCUQEWHH-VVYDWRJNSA-N	510.978	3.576	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1	1865028661	XMISVPLQMXVEIL-HXUWFJFHSA-N	513.392	3.917	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1865031452	HIBALCUJYGAIKW-DEOSSOPVSA-N	544.583	3.684	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(O)c1	1865053810	SXZFYQBPMQLEDZ-DEOSSOPVSA-N	517.630	3.613	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(F)cc1	1865514438	NVLADBOXXAUXSG-DEOSSOPVSA-N	505.594	3.793	10	10	KHCE	
COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S	2038109066	PCPBTIFTVNIILJ-UHFFFAOYSA-N	521.542	3.909	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)C(=Cc2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	2314600190	PUKIXHKQUGMJQJ-GOSISDBHSA-N	520.723	3.864	10	10	KHCE	
O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S	2314831754	RFOGCGNOICHCSO-UHFFFAOYSA-N	515.451	3.897	10	10	KHCE	
CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O	39989948	RABHLCSNDXJENX-BKUYFWCQSA-N	512.632	3.816	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1C	101397767	PDIWOUJWUSXWGQ-GSROUWSESA-N	542.639	3.863	10	10	KHCE	
O=C(O)C[C@]1(C(=O)O)N[C@H](c2ccc(Oc3ccccc3)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21	150672338	QKNFDVNAJGYWSU-XQICOKAMSA-N	630.609	3.998	10	10	KHCE	
CCCCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(CCC)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864010371	LQFMJTYHLWHGCB-QHCPKHFHSA-N	534.613	3.752	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864023311	XWCXKFIRTLZCTE-MRXNPFEDSA-N	526.874	3.985	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@H](C)O[C@H](C)C2)=C(N)O3)cc1	1865032338	AMVRGNVJDPGJPK-RHGYRFJNSA-N	548.640	3.956	10	10	KHCE	
CCOC(=O)CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1865034980	INOMABZQIZVDAA-RUZDIDTESA-N	548.640	3.799	10	10	KHCE	
Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-]	1867846506	PBGFSPPDXHKTJR-DEOSSOPVSA-N	540.621	3.729	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4cccnc4)on3)CC2)cc1	1868980966	CEVPWEPJIRKUGE-SANMLTNESA-N	529.572	3.574	10	10	KHCE	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)c1	96460965	PCBRFGKEQFMOLQ-UHHWSGGGSA-N	500.558	3.523	10	10	KHCE	
COc1cc(C)ccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	104560095	KCLBDNHNUHQDBQ-CGUYEQRQSA-N	549.030	3.736	10	10	KHCE	
COc1ccc(OC)c(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5cc(OC)ccc5OC)S4)CC3)=NC2=O)c1	105427174	IXGQHFFBLUZTDE-DFEHQXHXSA-N	580.688	3.979	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	105469887	JQTYJVSBEIVLDI-XYGWBWBKSA-N	607.758	3.682	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1	150381766	HGBZBLPEFVMINN-TWCGYMQXSA-N	772.638	3.522	10	10	KHCE	
O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N2CCCC2)cc1	247400830	NJYQMKZQZZRUDH-TUAOVVRQSA-N	585.573	3.619	10	10	KHCE	
Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](C(=O)O)(c3ccccc3)[C@@H]2C1=O	248131217	XDPGWIJDEMGBHI-YGWSKSRPSA-N	521.367	3.893	10	10	KHCE	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1C1CCCCC1	575733426	VRJATHVQDGTDGY-UHFFFAOYSA-N	582.729	3.543	10	10	KHCE	
CCCC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862001224	JTDTZWIUBKZHRM-LSYYVWMOSA-N	506.691	3.931	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864013495	XKIHPZMXDGGEQD-CVDCTZTESA-N	539.032	3.938	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864018554	NXAZWOMYVFWIFB-NRFANRHFSA-N	530.984	3.545	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865028509	WFBVAWLBIFZHST-SOHPYSCWSA-N	510.978	3.576	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC(CO)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031757	NPHREAQMRGOSKB-HXUWFJFHSA-N	544.530	3.536	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)n(-c4ccccc4)n3)CC2)cc1	1869970545	NSCFHXFBXKQVEW-UHFFFAOYSA-N	529.557	3.772	10	10	KHCE	
CCOC(=O)CCOc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870451785	ZJDBFEMQUVOZTL-UHFFFAOYSA-N	505.615	3.559	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CCCN(C)C)CC2)cc1	1870691469	GHCDQCBFBKKJMX-UHFFFAOYSA-N	504.675	3.752	10	10	KHCE	
O=C(CCC(=O)N1CCC(c2nnc3ccccn23)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874017574	RYDIBARIDAOLGE-UHFFFAOYSA-N	507.550	3.630	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N(CC)CC	2314769637	SZBZAAMFMHGDIW-UHFFFAOYSA-N	559.504	3.859	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	103122510	OOJYZWJLWSIEFL-HAVVHWLPSA-N	565.721	3.576	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864018373	JQLJPVZLWSSEGG-VWLOTQADSA-N	544.583	3.934	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1	1865019828	AOVPSQGBVRZXJH-FQEVSTJZSA-N	527.547	3.974	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1	1865028660	XMISVPLQMXVEIL-FQEVSTJZSA-N	513.392	3.917	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2	1865030481	KRXLJPBFHBDRTJ-XMMPIXPASA-N	535.620	3.839	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865078338	DGBZZMJVVWDEHU-AREMUKBSSA-N	544.700	3.974	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](CO)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)cccc21	1866999357	FFNDATJABWMILC-DHIUTWEWSA-N	502.954	3.725	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(C3CCN(C)CC3)C2=O)cc1	1873427228	IFUKPDAJTGNIIO-UHFFFAOYSA-N	532.666	3.784	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)CC1	2297461396	JDXRTAILLDZIQE-UHFFFAOYSA-N	535.695	3.948	10	10	KHCE	
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(I)o3)C2=O)c1	2313555859	BBCPHBSMBXOQSP-UHFFFAOYSA-N	531.100	3.712	10	10	KHCE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S	2314842422	VCLYNIHNROEYHZ-INIZCTEOSA-N	534.999	3.877	10	10	KHCE	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1C	101378637	CCKCFKSMHZYCJS-BUVRLJJBSA-N	536.610	3.849	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1	1862171436	JJWFBIAGVHNDCZ-DEOSSOPVSA-N	511.688	3.930	10	10	KHCE	
CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865028393	UBFPXXYYKDANSY-OAQYLSRUSA-N	547.395	3.615	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865029063	FGPBQKFVXAMGJN-QFIPXVFZSA-N	525.005	3.567	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1865035510	VWCLJFXSLAELIN-HSZRJFAPSA-N	541.048	3.874	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1	1868612770	NJDYFFRMMUNHCN-NDEPHWFRSA-N	526.637	3.512	10	10	KHCE	
CCCCCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870536924	GIMXOGSHTJMIDZ-UHFFFAOYSA-N	522.646	3.658	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)cc2)C[C@@H](C)O1	2297455642	HMUBCAIHRVVUDL-IAGOWNOFSA-N	563.698	3.854	10	10	KHCE	
O=C(COc1ccccc1C=C1SC(=S)N(NC(=O)CCN2CCCCC2)C1=O)Nc1ccccc1	2314487636	GUEFENLCZCBMRK-UHFFFAOYSA-N	524.668	3.813	10	10	KHCE	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(Oc3ccc([N+](=O)[O-])cc3)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	27436686	SZNPXGNCMDBAAE-ZCNNSNEGSA-N	589.414	3.911	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(cnn5-c5ccc(Cl)cc5)c(=O)n43)CC2)cc1	100817328	FYOPRNOAJRKIQB-HXUWFJFHSA-N	537.045	3.630	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864012942	MQYLMOVZNWAIGC-GBXCKJPGSA-N	518.614	3.593	10	10	KHCE	
NC1=C(C(=O)NC[C@H]2CCCO2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014019	LMXGGTQWKZKLRM-ZJSXRUAMSA-N	524.577	3.940	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cccc(Oc3ccccc3)c2)N2CCCCC2)cc1	1867700857	JGENVNKAPRQVPK-URLMMPGGSA-N	530.669	3.979	10	10	KHCE	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867917438	IYNPAXOVHCHIPJ-RPBOFIJWSA-N	512.720	3.956	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1	1868811052	RZOSEJSAOOSXEE-NDEPHWFRSA-N	540.620	3.675	10	10	KHCE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	2314842239	JOHHSGVXNSJBGU-OAHLLOKOSA-N	583.413	3.735	10	10	KHCE	
C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1)C(=O)O	2314930762	IYZUUCIAJDQQMJ-NSHDSACASA-N	507.387	3.847	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)cc1	2328619116	HIBLULIOVOUTJP-SANMLTNESA-N	514.582	3.693	10	10	KHCE	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1NCc1ccccc1	20757669	ISOJJZFQZWMQDL-UHFFFAOYSA-N	510.601	3.723	10	10	KHCE	
CCC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990694	VKQPQTNWBPHHEV-KCWPFWIISA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864011821	YXQBOXCJJMHYKT-JOCHJYFZSA-N	535.004	3.666	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864013199	RYWADHXBSRSDAW-QFIPXVFZSA-N	527.021	3.796	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864015336	OXOZODRRZNTYTE-FQEVSTJZSA-N	545.562	3.763	10	10	KHCE	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2C	1865258867	ROYOEIXDNFTXRM-VWLOTQADSA-N	547.656	3.578	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)CC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867585241	QLGMKXOLRMICCL-NUKCWJJBSA-N	561.727	3.999	10	10	KHCE	
CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1	1871492152	PCIWCSUZCBOSOF-UHFFFAOYSA-N	512.058	3.595	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	2053515350	PNVFUMBYIWUAGY-UHFFFAOYSA-N	512.060	3.814	10	10	KHCE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)cc(I)c1O	2313558321	XXDUHEJWTZVWMG-UHFFFAOYSA-N	531.075	3.565	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(N(C)Cc3ccccc3)nc12	35402649	IGUNCZKJYARFDY-XMHGGMMESA-N	508.625	3.705	10	10	KHCE	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1	1084163570	GUIZANUXLUAILJ-FLIBITNWSA-N	515.147	3.852	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC	1084240459	IEPSUVWTBKPBLJ-AUWJEWJLSA-N	503.305	3.642	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2	1864010270	QZGKHIYAUWAXPJ-AREMUKBSSA-N	536.592	3.532	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015042	ILMRRJMIOHMQTJ-GOSISDBHSA-N	502.493	3.972	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864016414	OMUKXEQMHGNKAD-QMHKHESXSA-N	547.011	3.855	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864018051	BOUBYLUKXJITKA-QFIPXVFZSA-N	504.518	3.648	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019468	ZNGXYXLOQWEWNI-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1	1865033954	LSUWQBUYLMLZGM-JOCHJYFZSA-N	504.587	3.943	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1	1868735666	UKFYTGNDVGLLGB-VWLOTQADSA-N	535.666	3.892	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873168797	JVSIOAUHADREHX-UHFFFAOYSA-N	505.582	3.806	10	10	KHCE	
CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	2294095678	YDLSXMOTGOFNMS-UHFFFAOYSA-N	510.259	3.504	10	10	KHCE	
COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	2297109857	JGTTXDLZURSXLC-UHFFFAOYSA-N	520.567	3.692	10	10	KHCE	
CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990152	PNKHCXFREPRKMA-FASCHPMRSA-N	516.689	3.987	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864011930	MZSUJQJFXRNELP-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864012431	ZSRBIJHBQJAJNE-VWLOTQADSA-N	514.557	3.844	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865028749	ZRGBYLCFVUVVHK-VWLOTQADSA-N	534.613	3.537	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1O	1865532570	VPLNSQGZGBMOOH-FQEVSTJZSA-N	543.546	3.679	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3ccc(OC)c(OC)c3)C(C)C)C(C)C)CC2)cc1	1868862953	BTDTXWKWFNHBFU-KAYWLYCHSA-N	511.663	3.942	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1OC	1873425919	PQSOOQFNJOJYLR-UHFFFAOYSA-N	530.625	3.636	10	10	KHCE	
CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21	1875201397	VALLPPLTZIOZHJ-MHZLTWQESA-N	543.672	3.843	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	2297346215	MZRZEZOZMHNDHU-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCC(=O)OCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	9641299	FNYGIENXDHGNFD-UHFFFAOYSA-N	514.538	3.960	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2	1864019087	VVPUITPDWFVEND-QHCPKHFHSA-N	532.000	3.948	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865030977	WFJSGODAIMNOTE-SANMLTNESA-N	545.684	3.771	10	10	KHCE	
[N-]=[N+]=NCCCCCCOCCOCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	2080392027	JUXLQOHNAZVQSN-QHCPKHFHSA-N	600.673	3.507	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=N)N21	20206673	TWNAMPHMKICZBZ-VHARHKTESA-N	512.613	3.773	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864012061	QATSMKQCLPYSCJ-XMMPIXPASA-N	518.520	3.940	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2	1864013575	CTTRPLZUTQLLST-VWLOTQADSA-N	531.657	3.742	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1	1864022331	LVHBOXJICXGCGJ-MRXNPFEDSA-N	508.884	3.997	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1865031839	PGXKGJXDPWMTBY-QFIPXVFZSA-N	532.984	3.749	10	10	KHCE	
CCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)c1	1865250439	GRHWQHASXSVQGH-VWLOTQADSA-N	531.657	3.916	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867720105	UAXWKBJYNJYQSO-KAYWLYCHSA-N	508.663	3.920	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867722086	IFUSXVKVDVFELJ-SXOMAYOGSA-N	540.730	3.873	10	10	KHCE	
CCOC(=O)CCOc1cn(CCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870451084	UCHCXLRXQJGYLV-UHFFFAOYSA-N	519.642	3.754	10	10	KHCE	
COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1	1873165190	HTACFCLIJGTRHJ-UHFFFAOYSA-N	516.642	3.803	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	2296697775	KQNLSXXVJAWOKL-SFHVURJKSA-N	505.669	3.799	10	10	KHCE	
Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	2297345535	FXFDXSBSQURECR-UHFFFAOYSA-N	512.613	3.853	10	10	KHCE	
CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O	39990186	JSDJGIMKDUTVLX-JWGURIENSA-N	507.685	3.986	10	10	KHCE	
COC(=O)[C@H]1Cc2cccc(S(=O)(=O)N3[C@@H](C)CN(c4ccc(OC(F)(F)F)cc4)C[C@H]3C)c2C1	95496294	DFHCYTYRLVDRPW-JZXOWHBKSA-N	512.550	3.761	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865029118	GFWFPUNTPLZMNO-DEOSSOPVSA-N	520.630	3.611	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865030089	BZMHBMBWURFUBJ-XVTZWQNCSA-N	536.604	3.765	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030914	UPXXAWGCODQRSJ-JOCHJYFZSA-N	542.995	3.641	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(C(=O)O)cc3)CC2)cc1	1865488301	QNIVZKKAUXDWLQ-VWLOTQADSA-N	545.640	3.598	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867614595	YZIRACLDLJKKKI-IHLOFXLRSA-N	591.778	3.809	10	10	KHCE	
CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867847407	VJZKNVNVXRKREU-DHLKQENFSA-N	540.621	3.729	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)C[C@@H]3CCCCO3)CC2)cc1	1869043186	HOTVRQGQOZGBAD-UIOOFZCWSA-N	511.688	3.721	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cnccn4)n(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1	1869969518	OOVKQFJEWXFDSF-UHFFFAOYSA-N	525.400	3.952	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CCCN(C)C)CC2)cc1	1870625196	SHDGUPZCFWEOSN-UHFFFAOYSA-N	508.638	3.849	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	2296943220	OHKDOQJDRAEYOV-IBGZPJMESA-N	565.696	3.849	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N	35520720	KXHDIOVYYSJQOE-NHDPSOOVSA-N	508.625	3.686	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	100880736	OHKDOQJDRAEYOV-SYVPYPDPSA-N	565.696	3.849	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864007250	IQZDFSXWEJXYJG-NRFANRHFSA-N	532.428	3.661	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1	1864015369	PSDAEEPIUBMEIP-PXNSSMCTSA-N	544.530	3.660	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018616	PGVVGOYPZMKGJM-AVRDEDQJSA-N	525.005	3.548	10	10	KHCE	
CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)C1	1865033176	UELLRBSAEBBJBZ-CYFREDJKSA-N	546.624	3.651	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3Cl)CC2)n1	1867952469	IWNIJEOEFZBHDV-UHFFFAOYSA-N	523.081	3.981	10	10	KHCE	
CC[C@H](C)NC(=O)COc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870524308	IOJHIWMAONCETC-QHCPKHFHSA-N	518.658	3.521	10	10	KHCE	
CCCC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(CC)sc5n4)c(OC)c3)C(=O)N=C2S1	2297350761	PJCJTHLQWCEYGY-UHFFFAOYSA-N	537.627	3.720	10	10	KHCE	
CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377755	HJWIJKQDRSFOPW-ZVHZXABRSA-N	613.534	3.564	10	10	KHCE	
CCCCN1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C1=O	248249256	RPLIXUYFDRCSEF-YGWSKSRPSA-N	540.414	3.748	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864012164	SXJGAERMCDFRFW-DEOSSOPVSA-N	524.593	3.808	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864013686	FHQSCWNCAIIWAD-HSZRJFAPSA-N	520.586	3.643	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864019111	GMKURHXNWQCCLZ-XMMPIXPASA-N	520.630	3.758	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccccc3)CC2)cc1	1865015424	JOZNZIKCKRPKJD-RUZDIDTESA-N	501.631	3.900	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1865028359	SMCJICPTTBTBPL-SANMLTNESA-N	541.608	3.781	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)CC2)cc1	1865466969	BBIZMARYUHTIDA-VWLOTQADSA-N	546.628	3.808	10	10	KHCE	
Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866666973	IUBYFNVMBXLJNQ-HSZRJFAPSA-N	543.963	3.737	10	10	KHCE	
CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866857057	NMINTHRIRBDKAG-OAQYLSRUSA-N	505.477	3.602	10	10	KHCE	
CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867571797	VIADSMBJNBJREZ-NOMHHCBYSA-N	547.700	3.609	10	10	KHCE	
COCCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870980275	OSDRCPKNAWIFDD-AREMUKBSSA-N	520.630	3.915	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873166299	KPGOVEMRNCFYHF-UHFFFAOYSA-N	519.045	3.949	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873166903	KGMKAAGZXGCNSK-UHFFFAOYSA-N	558.635	3.951	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	102835790	FAHQYNKSVNZSNN-HEHNFIMWSA-N	534.663	3.830	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1	104602277	BSIDFGQQNMNTHW-ONADPJLJSA-N	508.556	3.897	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865028505	WFBVAWLBIFZHST-ALLJEULLSA-N	510.978	3.576	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865033292	WHPDILLNWZPNIN-MHPIHPPYSA-N	532.641	3.852	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865033434	ZOVCHBBXTLOZKG-FDDCHVKYSA-N	539.032	3.957	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865034532	YQKWHYCIJVMGPO-IBGZPJMESA-N	514.504	3.987	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865034571	ZRZMIQCLBKQYKV-LJQANCHMSA-N	547.509	3.516	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868616440	XLFCMSOVBQDYIU-AREMUKBSSA-N	534.657	3.585	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)C(C)C)CC2)cc1	1868862955	BTDTXWKWFNHBFU-SVBPBHIXSA-N	511.663	3.942	10	10	KHCE	
CC1=NN(c2ccc(Br)cc2Br)C(=O)C1=C(C)NCCCN1CCOCC1	2297314637	LNPDPJJZYYDXHF-UHFFFAOYSA-N	500.235	3.520	10	10	KHCE	
COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OC)C2=O)c1	2297451465	IENJYTWWSBARKS-UHFFFAOYSA-N	510.138	3.895	10	10	KHCE	
C[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1)C(=O)O	2314929483	NFOCFDZWHVODJU-NSHDSACASA-N	507.387	3.847	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N4CCc5cc(OC)c(OC)cc5[C@@H]34)CC2)cc1	4790579	BXTQQJMBMRVAHL-VMPREFPWSA-N	527.621	3.898	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864012286	WUQOQEBUDNIXEX-DEOSSOPVSA-N	518.520	3.940	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1	1864015137	KCQOCTRYDLKSFF-MRXNPFEDSA-N	506.868	3.929	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(Cl)cc3)c2O1	1864015925	GPTCYQQNHAEVKB-QHCPKHFHSA-N	547.011	3.856	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3cc(OC)c(OC)cc3C1)=C(N)O2	1865037008	KUQRBHDFJBEYND-RUZDIDTESA-N	548.640	3.809	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccccc3OC(C)C)CC2)cc1	1865454656	IFYFHSRGGFMXDV-RUZDIDTESA-N	517.630	3.568	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@H]3c3cccc(C)c3)CC2)cc1	1865560580	YAKXRSLBGJWOOQ-HHHXNRCGSA-N	536.636	3.936	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867252543	FNBMDDQEBKZPGS-HXUWFJFHSA-N	528.590	3.946	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867276852	WFPDVEYEDPRDNG-IAPPQJPRSA-N	550.590	3.965	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1	1873165104	BVQSRTFISBIYAM-UHFFFAOYSA-N	500.599	3.644	10	10	KHCE	
CC(=O)NCCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873168787	JPFSCAAXXZUBKF-UHFFFAOYSA-N	514.626	3.596	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	2296540331	URYMNZANUFGKKY-UHFFFAOYSA-N	535.695	3.539	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	2296696672	KBSGVGTYVCVDAO-JOCHJYFZSA-N	561.733	3.705	10	10	KHCE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	2297463147	KZWBLHDEBPMJQA-OAHLLOKOSA-N	522.944	3.956	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)N(CCc2ccccc2)C(=O)N=C1O	59858772	LAZMEPVSSYEDOP-CPNJWEJPSA-N	504.459	3.850	10	10	KHCE	
CC[C@H](C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)OC	1616129045	KRJNWOXNCNWARZ-OTGIWPJISA-N	502.615	3.882	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864017001	CBSPKUDWFIJMSV-XMMPIXPASA-N	512.566	3.736	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865029982	ZLQYQBGSJVESMU-KBMIEXCESA-N	548.640	3.703	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3)CC1)[C@H]2c1ccc(O)c(O)c1	1865033978	MGGFRIFOHINHRA-FQEVSTJZSA-N	543.546	3.685	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3cccnc3)CC2)cc1	1865386999	AWHPUAKZAOPXNC-SANMLTNESA-N	522.609	3.628	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867519300	NFMVQGVWSAYZNL-FQLXRVMXSA-N	623.820	3.580	10	10	KHCE	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2296790945	SCHCQYLRTORWTI-HXUWFJFHSA-N	573.743	3.721	10	10	KHCE	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1C[C@H]1CCCO1	102825391	YRWUVKDXYLFERL-BQHBAAMWSA-N	596.756	3.940	10	10	KHCE	
COc1ccccc1[C@@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl	103078445	PMKQVRNNOVVGGS-MHZLTWQESA-N	564.086	3.839	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	210747540	FJDCZAUSXPYQTC-HMMYKYKNSA-N	519.670	3.743	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1	1864008351	IQZCBNKFVUQXIE-YUNKPMOVSA-N	513.392	3.964	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1	1865031776	NYYZACZNEOVWJA-JOCHJYFZSA-N	506.603	3.687	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865032031	UDYCECNYTDDMIX-IXFSTUDKSA-N	518.614	3.948	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866638530	KGBWIWZTDJVDPZ-HSZRJFAPSA-N	579.700	3.511	10	10	KHCE	
O=C(CCc1nc(-c2ccc(F)cc2)cs1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867068662	AESZIJHNWNILFY-JOCHJYFZSA-N	543.576	3.773	10	10	KHCE	
COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(c4ccc(OC)cc4)CC3)nc(O)n2)cc1	1868618054	SHPCKKNVHWPBIJ-LJAQVGFWSA-N	567.646	3.556	10	10	KHCE	
COc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)c(OC)cc1Cl	2297332466	WNLZCMBMEDRNHQ-UHFFFAOYSA-N	511.712	3.500	10	10	KHCE	
COc1cc(C)ccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	2297345297	KCLBDNHNUHQDBQ-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
CC(C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	102467861	MCKQOZIHUHTOLW-BJRGRWSZSA-N	512.613	3.889	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(NC(=S)NS(=O)(=O)c3ccc(Br)cc3)ccc21	1858606124	GAGQBRGHVJNAJH-UHFFFAOYSA-N	501.383	3.900	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864017141	GJIGYXIZSHJFPX-XMMPIXPASA-N	512.566	3.866	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864019253	XGUJJRNIQNQNIS-QFIPXVFZSA-N	527.021	3.796	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865031958	SCXYCXQBNYVABB-FQEVSTJZSA-N	543.546	3.551	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865355425	UFSGPBBGRAQENB-MHZLTWQESA-N	538.652	3.825	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867276855	WFPDVEYEDPRDNG-XCZPVHLTSA-N	550.590	3.965	10	10	KHCE	
C[C@H](NC(=O)c1ccccc1I)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867849998	QXAUIAXFIGYAMM-FDDCHVKYSA-N	548.469	3.819	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868891170	NSNGMIODVOYVLZ-VMPREFPWSA-N	569.662	3.691	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873167348	CBIZCUOZYMINPJ-UHFFFAOYSA-N	535.689	3.726	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccc(C)c1	2297346339	XILCGMOLRADNMF-UHFFFAOYSA-N	547.014	3.888	10	10	KHCE	
COc1cc(C(=O)NN2C(=O)/C(=C3/C(O)=Nc4cc(Br)ccc43)SC2=S)ccc1O	2299173	UQNWKUFWMYEWIJ-PFONDFGASA-N	506.359	3.681	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O	33914143	FEUKKKXECGACQS-LTGZKZEYSA-N	524.668	3.904	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c2=O)SC1=S	103739801	URTLBUZHXGTUDX-OQKWZONESA-N	535.695	3.949	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)ns3)C2=O)cc1	205975297	ODIIFDKHOQLVOJ-QGOAFFKASA-N	560.704	3.847	10	10	KHCE	
COc1ccc(-c2nc3cc(C(=O)N[C@H](C)C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1	1862087767	XMAWTSVCOKLSMU-LJQANCHMSA-N	513.598	3.714	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1	1864010253	QLGRKHFMHPOMTK-LFVRLGFBSA-N	508.575	3.602	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864019538	LLYYOKQRMNXFDP-RUZDIDTESA-N	526.593	3.925	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864022378	MOUZQTVYWMUIRP-GOSISDBHSA-N	546.502	3.521	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031598	KLBGEKIIJGYKCI-RUZDIDTESA-N	538.604	3.871	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c2nccn2C)cc1	1866022596	AZDQIWZQIFYYNB-JOCHJYFZSA-N	524.419	3.531	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867720108	UAXWKBJYNJYQSO-SXOMAYOGSA-N	508.663	3.920	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1	1868612769	NJDYFFRMMUNHCN-MUUNZHRXSA-N	526.637	3.512	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)nc(OC)n1	2297511326	BQCCUXZXLLDCSG-UHFFFAOYSA-N	528.978	3.667	10	10	KHCE	
O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2)cc1	3139621	KVGUQZZRHWIXRU-UHFFFAOYSA-N	576.539	3.832	10	10	KHCE	
Cc1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4/C(=O)Nc5ccccc54)S3)s2)cc1	54201829	SODWZUMHCGDCRV-MSUUIHNZSA-N	508.610	3.982	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501139	HASCOZIKELQXLC-IYVASWNSSA-N	586.626	3.843	10	10	KHCE	
CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110528021	PASRCQKDLMLKHD-HKWRFOASSA-N	532.688	3.511	10	10	KHCE	
O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	253574493	SRIDQHRAKXGZBI-PCCBWWKXSA-N	502.866	3.943	10	10	KHCE	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	1860744798	IFUZQEPOWDWNKR-UHFFFAOYSA-N	511.515	3.934	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864017000	CBSPKUDWFIJMSV-DEOSSOPVSA-N	512.566	3.736	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1	1864021563	CPQAKGGJXBUDAT-XMMPIXPASA-N	542.592	3.569	10	10	KHCE	
CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864022583	PIDDDIVCQZPTSI-QGZVFWFLSA-N	503.481	3.698	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865034806	FFJUYMFUXLQEKN-AREMUKBSSA-N	545.684	3.769	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867612861	OAPZWDGZOWGEGZ-AJQTZOPKSA-N	649.814	3.734	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCN(Cc3cccnc3)C(=O)OC(C)(C)C)C(C)C)CC2)cc1	1868923357	FYBIYWVEDBKXBG-HHHXNRCGSA-N	553.704	3.707	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	2296846654	NESDNGVFZCQSIT-UHFFFAOYSA-N	567.668	3.535	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(Cl)c3)C(=N)N21	2297345743	XOXMHZAILFXYOK-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	2313557188	WPQOZGSKVPAVFB-UHFFFAOYSA-N	531.477	3.968	10	10	KHCE	
O=C1C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2314413885	KKXSBJHUKZZSJR-OAQYLSRUSA-N	580.757	3.542	10	10	KHCE	
CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(CC)CC2)SC1=S	33812653	OASMKEGMOLNWBT-PGMHBOJBSA-N	501.722	3.972	10	10	KHCE	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	102925247	PZRGOYJOWPTFGO-UNOMPAQXSA-N	513.622	3.619	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCCC1	206924627	ROVHJGVWQGBKNU-JCMHNJIXSA-N	525.652	3.941	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864008976	WELWCUAGVFOXQH-AREMUKBSSA-N	542.592	3.929	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864018815	RHHCFFVZVNWNTG-NYHFZMIOSA-N	542.995	3.687	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865026388	MVQGNNXOXIWNAT-RDPSFJRHSA-N	539.032	3.763	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)=C(N)O2	1865030216	FZHWMYDORBVBDF-RUZDIDTESA-N	531.657	3.614	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865034570	ZRZMIQCLBKQYKV-IBGZPJMESA-N	547.509	3.516	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865335547	FEPOYADDOSBRDI-QFIPXVFZSA-N	507.660	3.795	10	10	KHCE	
Cc1nnc([C@H](CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1	1867024889	VFGWQKAAHXXIPK-OPAMFIHVSA-N	508.534	3.819	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867519306	NFMVQGVWSAYZNL-WDYNHAJCSA-N	623.820	3.580	10	10	KHCE	
CCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870556576	QYSMHJHOWRTOAM-UHFFFAOYSA-N	509.603	3.938	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S	33397961	RGHJIAYNMXUMFJ-XSFVSMFZSA-N	510.641	3.861	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N([C@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	101974628	JUAYGWLUCJZDJD-NDOBYNNUSA-N	561.037	3.729	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(O)c(I)c1	1084551614	JQCKVHDRRWIGCR-UITAMQMPSA-N	547.143	3.730	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864016486	QDQCOTJJFBXSFO-DEOSSOPVSA-N	543.599	3.521	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	2296848538	BYVUOEICLSHDTP-UHFFFAOYSA-N	506.653	3.885	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc(C)cc1	2297345570	IHCPBSWICPXTLY-UHFFFAOYSA-N	512.613	3.984	10	10	KHCE	
Cc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(Cc6ccccc6)SC5=NC4=O)cc3)nc2s1	2297350811	YUZQCABDZKTPQD-UHFFFAOYSA-N	541.618	3.900	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C(=O)O)c1	2313562390	QHLQOFZZRIBPAP-UHFFFAOYSA-N	506.511	3.943	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1	2310828	DGQAKNDVROYUPF-OCEWKHMESA-N	535.666	3.749	10	10	KHCE	
CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110532054	AHPGGTRZUJNDCJ-BFURNPMBSA-N	532.688	3.508	10	10	KHCE	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	210654868	CKEYGXSNCUOZMS-DBRLUCFCSA-N	511.650	3.936	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)COc3ccc(C)c(C)c3)CC2)cc1	1862195295	OCPRITKMNCDUGZ-MUUNZHRXSA-N	519.617	3.906	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865027564	ZDKBNELBTRSROQ-AQKDONEWSA-N	525.005	3.635	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3F)c2O1	1865032227	YHAYWDSTXZMHLI-XMMPIXPASA-N	542.567	3.702	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035059	KGWVHUBVLKZLCQ-DVECYGJZSA-N	536.604	3.502	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865035424	TWMNRUGQTXBZQI-KXNSMUHISA-N	539.032	3.889	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868619302	ZRSHVQDFXRATSH-VWLOTQADSA-N	563.120	3.526	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(CC(C)=O)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1	1869253804	JXWKYWFWGYLIJS-UHFFFAOYSA-N	521.065	3.843	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccc5c(c4)OCO5)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869969343	ATQXHBDBCNROCD-UHFFFAOYSA-N	528.569	3.592	10	10	KHCE	
O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	59415921	SRIDQHRAKXGZBI-HKBOAZHASA-N	502.866	3.943	10	10	KHCE	
CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)c(=O)c2cc1OCC	102740665	GZWAAOWHULPDDE-UHFFFAOYSA-N	558.635	3.507	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2OC)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007076	FRNKTVCSWBPEDC-RUZDIDTESA-N	528.565	3.620	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865033038	QFFLSMGHQKVEMO-HSZRJFAPSA-N	538.048	3.747	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865033214	UVAKLNHEQDVDLR-FDDCHVKYSA-N	539.032	3.957	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868889943	JKKTVBQSGYOKFV-WDYNHAJCSA-N	553.663	3.985	10	10	KHCE	
O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1	16907914	HXPIEKAUYVNWRG-LFIBNONCSA-N	507.387	3.849	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(Cl)c3)C(=N)N21	101395687	XOXMHZAILFXYOK-MPZQNCSBSA-N	549.030	3.818	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc(Br)c1O	1858591939	DIAMTRXTRQESKI-BRYYZUPOSA-N	510.387	3.766	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865033304	WOHDXKSPINFYHD-KIMHZCHSSA-N	525.005	3.830	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865592481	PBXBKTBSCOSHFH-XMMPIXPASA-N	517.630	3.526	10	10	KHCE	
Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(S(N)(=O)=O)c1	1867237234	JTJBOBFUZSACLK-AREMUKBSSA-N	585.613	3.537	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1	1868944157	ULUBTKJESNKALF-KPURRNSFSA-N	531.653	3.979	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCCOc4ccccc4C)cn3CCO)CC2)cc1	1870319721	LYYNAMHSHSVYAR-UHFFFAOYSA-N	521.658	3.718	10	10	KHCE	
CCCOC(=O)COc1cn(CCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870329994	VDKSXCUGNNHMLX-UHFFFAOYSA-N	519.642	3.754	10	10	KHCE	
CN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2cc(Br)ccc21	2314764345	AGBQSTYJXLDZIL-UHFFFAOYSA-N	508.806	3.995	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)C)cc1	101397859	LLEXRPLKWHUTKB-BVDVPRQSSA-N	526.596	3.659	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=N)N21	104559950	RYDNHTCKVFCQFI-FCASDSMHSA-N	537.392	3.788	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	205948249	FRHGGASFEKVNGK-JJIBRWJFSA-N	553.597	3.753	10	10	KHCE	
CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N)=NC3=O)c2)CC1	213225378	VLFXXYABAWANRO-PXLXIMEGSA-N	507.641	3.889	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O	248136247	CTDZZMYPIXWMPG-DHMIZTNRSA-N	536.968	3.584	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1	1861960816	XWEFMYGZWPBBBY-AREMUKBSSA-N	508.018	3.673	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864011754	XRKMHAZABLYLTM-RUZDIDTESA-N	522.565	3.522	10	10	KHCE	
NC1=C(C(=O)NCc2ccncc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864014741	BETHIXFRNRHFBE-HXUWFJFHSA-N	537.498	3.767	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1864022676	PSIBGKKKDQPTID-XCLFUZPHSA-N	540.498	3.647	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1	1867618705	VZOFOJWEYJOAOZ-CONSDPRKSA-N	653.780	3.896	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=N)N21	2297345661	QFELVWODGRORMT-UHFFFAOYSA-N	536.035	3.776	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2314414111	PXEFSYPCARDYJE-UHFFFAOYSA-N	524.624	3.663	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(NC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC	2328556	LGOOWLUKJYVZOS-XSFVSMFZSA-N	510.641	3.976	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1C	20206722	FLMJWLYLVCKANN-JLFKZYKSSA-N	512.613	3.984	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1ccccc1	104559671	XVYKXLSVNSKTMM-JVWYAVPJSA-N	532.987	3.579	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21	104562523	BYYRUVXWVPRKOH-VQQXQELJSA-N	527.584	3.821	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1[N+](=O)[O-]	104563574	FVOLPZAUDPCREG-HCNNPVLLSA-N	543.583	3.582	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	256041206	HLVSCNFAKHWYRA-SNSJXNMTSA-N	548.683	3.959	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1	1862216521	AJUPETJXDUYTHJ-WZONZLPQSA-N	506.068	3.703	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)=C(N)O2	1864014562	YJFFLTKHKJCFRS-CMJOXMDJSA-N	522.602	3.856	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865029782	VFIFBGQKQMFHGW-PGRDOPGGSA-N	525.005	3.567	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865033073	RFFYHQQUVWYFFV-QFIPXVFZSA-N	541.004	3.606	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(OC)c(O)c3)CC2)cc1	1865139958	KGUHINPJGHOBQD-AREMUKBSSA-N	547.656	3.614	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4F)[C@H]3c3ccc[nH]3)CC2)cc1	1865598690	VPSDEHOUQOSYEP-AREMUKBSSA-N	542.615	3.759	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(OC)cc4)[C@H]3c3ccc[nH]3)CC2)cc1	1865599094	QQBGMWQUNKKKBP-AREMUKBSSA-N	540.624	3.569	10	10	KHCE	
CCOC(=O)CCCOc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870795756	BMCYVXHXEQATHT-UHFFFAOYSA-N	509.603	3.935	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c2c1[C@H](C(=O)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2	2297749116	DHYLGBJCEGEBGQ-DCSZGZOJSA-N	746.674	3.511	10	10	KHCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	2314829295	WQRKKORVFUHUQN-HXUWFJFHSA-N	577.725	3.826	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252667883	DNQFFPJGGLVIMK-HHHXNRCGSA-N	575.691	3.763	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864013743	ZPDNSMSPTNLSDA-QHCPKHFHSA-N	515.545	3.781	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864013949	JSMJEXFKGAWGBB-QHCPKHFHSA-N	512.566	3.798	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1	1864017910	YFKFDPCUNNMDOM-HSZRJFAPSA-N	535.645	3.533	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccc(O)c(O)c3)CC2)c1	1865026179	HJTBAYJJJZTOTJ-MHZLTWQESA-N	537.620	3.944	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865028423	UPBQJFWMUJSBRF-YCRPNKLZSA-N	531.396	3.577	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc(OC)c1OC	2297306929	TXTKKXROTXGBKC-UHFFFAOYSA-N	502.570	3.641	10	10	KHCE	
CCOCCCNS(=O)(=O)c1ccc(Sc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	31475838	GLYMDZLRMMXZRM-UHFFFAOYSA-N	512.609	3.606	10	10	KHCE	
Cc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	100850881	YDLUBHIEPLRNCT-CLXYIWAZSA-N	529.690	3.542	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Br)c1OCc1ccccc1	101397270	YTYDWQDJCJLPCV-LANNQIRMSA-N	549.428	3.658	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	101744447	AYRZUNQBEMYSCT-FYJGNVAPSA-N	562.069	3.523	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CS(=O)(=O)Cc3ccccc3Cl)N4)CC2)cc1	102803576	COESFDRNARIWAK-SANMLTNESA-N	569.083	3.659	10	10	KHCE	
CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143354025	SCFYCKNQCFCDFT-TXAUKBGOSA-N	600.744	3.558	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	207327300	HLGDRNAFKWOPKC-QUYZQLMHSA-N	524.711	3.847	10	10	KHCE	
CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858676503	QIRXHNCMEZSINK-UHFFFAOYSA-N	535.578	3.997	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864012428	ZRNJTMFTTYOBCH-DEOSSOPVSA-N	540.064	3.847	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864017913	YFKHHNNERRLDIX-XMMPIXPASA-N	519.646	3.697	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864018619	PGVVGOYPZMKGJM-XMSQKQJNSA-N	525.005	3.548	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864021325	ATSUKGHFLIYFFY-LJQANCHMSA-N	532.519	3.859	10	10	KHCE	
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2oc(O)nc2c1	1867128342	GKGSHWAUHSECRI-XMMPIXPASA-N	547.523	3.994	10	10	KHCE	
CSCC[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867161973	IQFDXPNJCSMATD-NRFANRHFSA-N	525.590	3.737	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cccnc1	1867281411	OVNSURUHPBZFPK-SXOMAYOGSA-N	518.573	3.956	10	10	KHCE	
CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867470381	ZHTVCHHKKMRMDC-NSOVKSMOSA-N	619.763	3.700	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)N2CCCCC2)cc1	1867652421	WYRBBZWAOXHTLR-JSOSNVBQSA-N	671.820	3.808	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1	1869009712	ICADZBSAMJJHGY-HHHXNRCGSA-N	558.654	3.778	10	10	KHCE	
C[C@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(CO)cc1	2333190710	GGYJWDMIACSQCA-LWQHJLISSA-N	895.027	3.877	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865027171	VOKMELWJCZPRLW-JOCHJYFZSA-N	545.423	3.636	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(OC)c1O	1865110271	CUDJDHFIQRXYLS-XMMPIXPASA-N	547.656	3.622	10	10	KHCE	
COc1cccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867386593	ICBRNEVHKIECIF-UIOOFZCWSA-N	512.720	3.956	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867508332	XSQMGZOVHPQGMC-RRPNLBNLSA-N	561.727	3.999	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Br)c1OCc1ccccc1	2297345101	QWKKAUABKRMVOJ-UHFFFAOYSA-N	549.428	3.658	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c2=O)SC1=S	2297458855	URTLBUZHXGTUDX-UHFFFAOYSA-N	535.695	3.949	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314828757	HLVSCNFAKHWYRA-BPAFIMBUSA-N	548.683	3.959	10	10	KHCE	
CCCCCN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	33757572	GGBYKTFMGQLMNM-KNTRCKAVSA-N	529.688	3.673	10	10	KHCE	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	101965132	JOHHSGVXNSJBGU-TUBDAXHVSA-N	583.413	3.735	10	10	KHCE	
COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	103849414	IWCWYCXVOLKDNZ-MLPAPPSSSA-N	556.138	3.569	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(C)s1	211940864	KZNOZSDFSZTJIS-RQZCQDPDSA-N	502.599	3.867	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1O	1084175099	WGUCWDFQOQAJND-POHAHGRESA-N	500.143	3.888	10	10	KHCE	
CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997134	QJOBRYYPJSMPCV-WNCULLNHSA-N	510.654	3.680	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864008446	KMWNBPNNGMARMR-HSZRJFAPSA-N	502.596	3.766	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1	1864022003	IGEMGICQGCKWPG-QGZVFWFLSA-N	506.456	3.873	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425847	NVSWQQPRHMQDOZ-UHFFFAOYSA-N	513.642	3.684	10	10	KHCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCN1CCN(C(=S)Nc2ccc(F)cc2)CC1	2296740703	MSQOYENOYXFFQM-UHFFFAOYSA-N	512.630	3.956	10	10	KHCE	
Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	96460808	FXFDXSBSQURECR-JNCKMBBWSA-N	512.613	3.853	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	100849992	MBQROUQIRMWVKS-HMMYKYKNSA-N	553.641	3.514	10	10	KHCE	
Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O	248134632	ZAVJWOZVPOGOKT-FAWUNYRSSA-N	535.394	3.979	10	10	KHCE	
COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	1083914299	JSLSQEYRTAHWLL-WDZFZDKYSA-N	619.206	3.576	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(C)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007586	PYAVYMVCFDCPMH-AREMUKBSSA-N	526.593	3.962	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865029728	UHWSKRPHNXEYHP-CYFREDJKSA-N	518.614	3.694	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865033436	ZOVCHBBXTLOZKG-MBSDFSHPSA-N	539.032	3.957	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865033594	DIKHEAMUJWNBFF-HKARXFIJSA-N	534.613	3.710	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1865033600	DNOBMEJZIINWJY-HSZRJFAPSA-N	527.581	3.917	10	10	KHCE	
CC[C@@](C)(NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868908291	GNYWWKZECUMGEA-HHHXNRCGSA-N	507.660	3.780	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)C(=O)O	2294253354	FDJYZCPLHSDYFB-GFCCVEGCSA-N	519.373	3.531	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	2296696728	VXTUHGHIZBKUHA-CALCHBBNSA-N	522.652	3.718	10	10	KHCE	
CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O	33812643	UZPNWVLRKKNSOJ-JCMHNJIXSA-N	507.685	3.592	10	10	KHCE	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1C	101062979	OHNNRVDXQFCSDY-XNHPLOEXSA-N	541.676	3.800	10	10	KHCE	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	207332522	YGALYBGDLUDQPY-WMZJFQQLSA-N	521.618	3.778	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252677601	ZGMSUUSKYIQLNK-HHHXNRCGSA-N	548.709	3.719	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)O	1084322822	FNPHMDWUOKUANK-AUWJEWJLSA-N	568.174	3.740	10	10	KHCE	
CCOc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1862060695	FJMMZAOHQMMEGO-HHHXNRCGSA-N	505.590	3.923	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864017518	ODHSQHGBYHLZPP-HSZRJFAPSA-N	530.556	3.988	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)c(OC)c1)=C(N)O2	1864020599	DTFJYKHADQAUSM-XMMPIXPASA-N	536.629	3.583	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865031156	ZYYDJFJGKPVHBP-UAVUOLJFSA-N	536.604	3.765	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865035426	TWMNRUGQTXBZQI-PXAQALGRSA-N	539.032	3.889	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800258	SDNMUQFQHMVBRJ-GGXMVOPNSA-N	538.693	3.969	10	10	KHCE	
COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(CN3CCOCC3)CC2)n1	1868254357	MSOPLQVXEJIIOR-UHFFFAOYSA-N	541.652	3.733	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccncc4)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1	1871692058	QMUMNLXWPKCZII-UHFFFAOYSA-N	512.618	3.696	10	10	KHCE	
O=C1/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1	34988071	MMPLEEFKFAIJQU-MNDPQUGUSA-N	512.657	3.572	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cccc(C)c1	104558933	IZHWOXXXXSJSBM-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O	110526960	YKBCCYGGMPRRGT-KQWNVCNZSA-N	583.711	3.970	10	10	KHCE	
COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)c1O	248377068	FLUJZBAGJYEKBT-UITIVDIESA-N	520.582	3.847	10	10	KHCE	
CCCC[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861882044	AEVZQTVRFWPHIS-HHHXNRCGSA-N	520.674	3.571	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865026250	KZONWVAGUSNSJD-DEOSSOPVSA-N	538.048	3.553	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865032602	GWIUNBRDIRPDGC-RUZDIDTESA-N	526.593	3.562	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865032703	IPGVLIBCIDRWOE-HLFMIMNKSA-N	525.005	3.830	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865489179	FYPBBLMFWZYEAR-XMMPIXPASA-N	545.640	3.606	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644356	DWESJSAZSVRJAM-LITSAYRRSA-N	507.679	3.953	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3snc4ccccc34)CC2)cc1	1869057241	LHEOFDNSPJDUNZ-VWLOTQADSA-N	516.623	3.700	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC[C@H](CS(=O)(=O)c5ccccc5)C4)nc(C)n3)CC2)cc1	1869290268	PQFSXDBORQISIH-QHCPKHFHSA-N	521.687	3.811	10	10	KHCE	
COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O	1873425816	NBYBXCBIFWHCLV-UHFFFAOYSA-N	500.599	3.627	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1cccc(C)c1	2297345320	MLHYCJASSDYWBX-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	2297460350	XQLMUFZQNOJEQW-HDICACEKSA-N	536.679	3.761	10	10	KHCE	
O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21)NCc1ccco1	2297552087	YVFDPAXICLMQTK-UHFFFAOYSA-N	502.527	3.521	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC	2313558908	MREILJXRXNALHA-UHFFFAOYSA-N	510.259	3.504	10	10	KHCE	
C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O)C(=O)O	2314931382	NLLYQIAPVYZXNG-LLVKDONJSA-N	507.387	3.847	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1O[C@H](CC)C(=O)O	2314936554	ZMLHZRPEPSEPCU-QGZVFWFLSA-N	500.598	3.802	10	10	KHCE	
COC[C@H]1CCCN1C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O	67879130	WHZCLELWJPDENE-BRWNIOCJSA-N	577.770	3.515	10	10	KHCE	
Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2C)cc1	98053869	DYCOUOAQFVOBFN-MLPAPPSSSA-N	508.600	3.857	10	10	KHCE	
CCC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	102618295	JCDCIZUEKPGDHF-CFHVRRAGSA-N	557.930	3.676	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCN3CCOCC3)nc12	102825701	HYHMJSIAXXRWNP-ACXJOVJBSA-N	535.695	3.709	10	10	KHCE	
O=C(O)CCC(=O)NCCc1c(/C=C2\C(=O)N=C(S)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12	103107251	YJFBYPHXXSUUJU-QGOAFFKASA-N	524.986	3.587	10	10	KHCE	
NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1	1858590636	BTDYPYGYFZWOAM-CXUHLZMHSA-N	501.424	3.680	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2	1864018035	AWMHALPTXAIZMO-XMMPIXPASA-N	511.582	3.603	10	10	KHCE	
NC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022527	NWELCCZWKOINKF-SFHVURJKSA-N	515.492	3.841	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)c1	1865028079	OZWXTCVBAUDVNO-DPOKWSEZSA-N	518.614	3.598	10	10	KHCE	
C[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866903778	XGULFYNLCRIMKD-FQEVSTJZSA-N	566.658	3.914	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514489	JMSHWNQNAXZOJI-JHOUSYSJSA-N	655.796	3.775	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1C	2297346245	PDIWOUJWUSXWGQ-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	2313559618	HNOXZFSWEMSHOC-UHFFFAOYSA-N	552.175	3.820	10	10	KHCE	
COc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1	101835187	DFLVYIRDWRZRAG-MHZLTWQESA-N	544.656	3.578	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	105606016	MAWMRFMJZRCWHO-NMWGTECJSA-N	549.722	3.645	10	10	KHCE	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	207330343	IJGJKFBBUWHDGS-WZUFQYTHSA-N	521.618	3.778	10	10	KHCE	
O=C1/C(=C2\SC(=S)N(CCc3ccc(O)cc3)C2=O)SC(=S)N1CCc1ccc(O)cc1	606671968	HSILXKWTIVITOA-ISLYRVAYSA-N	502.664	3.815	10	10	KHCE	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	1084239618	NSXHFZRCCAOHTN-NVNXTCNLSA-N	537.750	3.719	10	10	KHCE	
CC[C@](C)(NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861972901	SXIQEAVMCVVIFR-LJAQVGFWSA-N	510.654	3.680	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@H]3c2ccc(O)c(O)c2)cc1	1864006984	CDGHIFPESLBQRO-DEOSSOPVSA-N	516.529	3.751	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867297923	NWNYUDKQVKZUIG-GGXMVOPNSA-N	508.663	3.920	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1	1868645635	VTYIXGATJJEBKH-DEOSSOPVSA-N	540.661	3.927	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3sc(CNC(=O)OC(C)(C)C)nc3C)C(C)C)CC2)cc1	1868922356	GSTJSIFUOJDLEW-JOCHJYFZSA-N	545.706	3.588	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868985701	BFDVKMCUPXEUBB-QHCPKHFHSA-N	516.646	3.740	10	10	KHCE	
CC(=O)Nc1ccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1	1873915702	GCMMEOXTRMQYKR-UHFFFAOYSA-N	500.463	3.523	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	2059855	NLCDXKIMSUKZBC-BIWBSIMWSA-N	563.676	3.578	10	10	KHCE	
CCCOc1ccccc1/C=C/C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1	1858959617	WUWCUDPOWHETSH-CXUHLZMHSA-N	509.584	3.865	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864018608	PBPZYALXODHIPL-JOCHJYFZSA-N	527.021	3.532	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865029398	MJQYLOJDZHUMLC-BWKNWUBXSA-N	532.641	3.753	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccccc3O)CC2)cc1	1865529669	VXWZKANDAFCAEM-VWLOTQADSA-N	537.620	3.845	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296697884	WSDMGVFCIGSGSY-UHFFFAOYSA-N	535.695	3.949	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	2297345831	GXYVBDDNYDPBMG-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)cc(I)c1O	2313558519	CRMPRKUUXXCMMX-UHFFFAOYSA-N	547.143	3.730	10	10	KHCE	
Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1	2313565236	RJULPTYVOULQJT-UHFFFAOYSA-N	503.536	3.630	10	10	KHCE	
CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2314414161	RCTWOUFFXSOEQO-UHFFFAOYSA-N	538.651	3.972	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccccc1Cl	104558658	PYMSMMATDWHVGI-WPQBYJDRSA-N	549.030	3.818	10	10	KHCE	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	205948534	KMONAGULVQLVNZ-JJIBRWJFSA-N	505.556	3.534	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526602396	PLSWOZOYOBCYLB-MHZLTWQESA-N	501.583	3.911	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)c1	1084055648	YJFPAZHLAPTCMZ-AUWJEWJLSA-N	706.227	3.823	10	10	KHCE	
C[C@H]1COc2ccccc2C(=O)NCCCCC2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C(=O)N1	1615073122	DQYJZIGMAXMPCW-QHCPKHFHSA-N	552.691	3.742	10	10	KHCE	
CC(C)(C)C(=O)OC[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C	1775937727	RDQRDOKBHVFHEN-VNBWJKKMSA-N	571.668	3.846	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864013619	YGRILWRVNYJKGO-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1	1864017856	XGJZRFKRFNEUHT-HSZRJFAPSA-N	535.645	3.533	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865027327	GSIHCFUHVLCUTO-VWLOTQADSA-N	547.011	3.961	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cc(C)ccc1O	1865196154	DNGWYGGYEJDEOV-RUZDIDTESA-N	517.630	3.668	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866623866	WNIMKOAAEMUQLC-OAQYLSRUSA-N	536.544	3.780	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)CC2)cc1	1868600714	ACTSSLCPRACONB-UHFFFAOYSA-N	538.714	3.562	10	10	KHCE	
CC[C@@H](C)NC(=O)COc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870524307	IOJHIWMAONCETC-HSZRJFAPSA-N	518.658	3.521	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(OC)cc3)ncnc21	1875229942	VAISWKRLFYWHSG-UHFFFAOYSA-N	530.629	3.669	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	2296725967	DFULOXYWJWUBJJ-IBGZPJMESA-N	511.650	3.936	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	2313564893	DRWJLMAIEDXLRL-UHFFFAOYSA-N	507.886	3.841	10	10	KHCE	
CC(C)N(C(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21)c1ccccc1	1860827069	QJPPJGFUEZFUGY-DQRAZIAOSA-N	509.609	3.521	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864017561	OYPUXMVIDZFDGR-VWLOTQADSA-N	542.592	3.874	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865030763	QFZHPMPWKHSRGK-SAHWJRBASA-N	503.603	3.830	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(N3CCCCC3)CC1)[C@H]2c1ccc(O)c(O)c1	1865033794	IFBRZGLVTAHMMH-IBGZPJMESA-N	535.567	3.505	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865641731	APQZHHBFTVAPNM-XMMPIXPASA-N	517.630	3.526	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1	1867504876	QVSWYLUKWPVIGI-SANMLTNESA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCN(Cc3ccccn3)C(=O)OC(C)(C)C)C(C)C)CC2)cc1	1868926412	RGTXXZGKKDRTOV-MHZLTWQESA-N	553.704	3.707	10	10	KHCE	
C[C@H](O)Cn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870995139	VGZYPVNBKPFOPE-LVXARBLLSA-N	520.630	3.601	10	10	KHCE	
C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1	2296713667	PCLJWEZUOYANNR-OAHLLOKOSA-N	527.649	3.952	10	10	KHCE	
COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S	2533424	URBHIMVMIDZHDX-FMQUCBEESA-N	502.017	3.933	10	10	KHCE	
COc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc(Br)c1OC(C)=O	33333427	RZGMJXIZJGGPLK-MKMNVTDBSA-N	510.138	3.607	10	10	KHCE	
CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O	33812721	ROXIOBYJVBLCKH-STZFKDTASA-N	511.673	3.575	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1	101397920	DWWUXINICSCCOD-BYCXBGHRSA-N	539.016	3.641	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccccc1	101399620	RHLCDSBWDQCHOB-BVDVPRQSSA-N	526.596	3.562	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	105451033	RUURMEJNNJSHKZ-MOHJPFBDSA-N	623.757	3.743	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864012085	QPAMEUZRYXFQQU-QFIPXVFZSA-N	506.559	3.863	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864013072	PNZMSTOIFVHNKB-BWKNWUBXSA-N	532.641	3.902	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864021243	NWZGOCXJUYNNGP-XMMPIXPASA-N	514.582	3.846	10	10	KHCE	
Cc1ccc(CN2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(O)c(O)c3)CC2)cc1	1865028956	BZYUZYOWYYGOKX-AREMUKBSSA-N	531.657	3.606	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865029646	SANGUPZIZLQICN-GGUMNFRJSA-N	518.614	3.875	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccs1	1865332033	PSTSPEGYTCHDEB-QHCPKHFHSA-N	507.660	3.969	10	10	KHCE	
Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868149725	GZOLVENDVPELME-UHFFFAOYSA-N	534.594	3.620	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1	1868789630	CIJZPDCCPWNLSZ-IRPSRAIASA-N	572.731	3.815	10	10	KHCE	
CCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1	1873422258	NOQDDQGXSREVFE-UHFFFAOYSA-N	528.609	3.989	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	2296846636	JHSGTQIFVOGVJN-UHFFFAOYSA-N	567.668	3.535	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=N)N21	104560411	NXMABFSOTUTAIY-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O	110529176	XHAMREMQHXDEMF-OYKKKHCWSA-N	565.721	3.710	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](C)(C(=O)O)[C@@H]2C1=O	247934949	DIYYIWINDHRXTH-LYXWCMDISA-N	501.377	3.573	10	10	KHCE	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(ccc([C@@H]3C[C@](C)(N(C)C)[C@@H](O)[C@H](C)O3)c1O)C2=O	257379345	AQBUFJBHZGRZRV-JZXWSAJWSA-N	589.641	3.515	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	1772719561	SSHTVJTZDFOKSW-HNGNLUIFSA-N	602.742	3.820	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864007172	HGJLIOJJRFFQKX-VFNWGFHPSA-N	531.396	3.889	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864010823	XGTIHUPDIACZRT-QHCPKHFHSA-N	535.963	3.850	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015093	JLBJWLQSJDEYIH-HXUWFJFHSA-N	546.546	3.643	10	10	KHCE	
NC1=C(C(=O)NC[C@@H]2CCCO2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864015505	AOIRKPDUMKYYDV-WIOPSUGQSA-N	538.604	3.999	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@@H]2c1ccc(O)c(O)c1	1865031980	SMDPSQOZLGMFQR-HSZRJFAPSA-N	518.614	3.543	10	10	KHCE	
COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCCN1CCOCC1	1865665913	SNGKFFHOROCPHE-RCCKNPSSSA-N	500.393	3.975	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1	1868883549	ZGGFSKXPFMHGQZ-SBUREZEXSA-N	556.461	3.525	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868937928	LNMGQGUJGRNTDS-MHZLTWQESA-N	511.573	3.621	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1	1869009492	CGXXFIIYKSPUOY-HHHXNRCGSA-N	540.664	3.639	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3C[C@H]3CCCO3)CC2)cc1	1870606078	FWQFEVFPHPNLGS-MUUNZHRXSA-N	519.642	3.946	10	10	KHCE	
COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O	1873425505	BLQWMHOEEHLCOR-UHFFFAOYSA-N	542.636	3.795	10	10	KHCE	
CSc1ccc(C=C2SC(=O)N(CCNC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)C2=O)cc1	2042444305	ZASNELPSJGBOBT-DXPJPUQTSA-N	544.699	3.698	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1	2296145144	WBJDQWLBWYVRNM-UHFFFAOYSA-N	575.574	3.925	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1	2297346216	MZYJPKPVMZLGRA-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O	16922557	NVFFUUAHRWSGMS-NVNXTCNLSA-N	508.480	3.524	10	10	KHCE	
COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1	104562413	ZKWQTIWHHKAONX-JNMYDYDMSA-N	526.596	3.562	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035112	LOFCUBHAFFPYQA-RDPSFJRHSA-N	536.604	3.502	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1	1867977058	TXZYPBOAXWSTBL-UHFFFAOYSA-N	517.634	3.999	10	10	KHCE	
O=C(Cn1cnc2c(N3CCCCC3)nc(Cl)nc21)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874016995	KCHSVHQAQLMYBC-UHFFFAOYSA-N	500.946	3.884	10	10	KHCE	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)C(=Cc4ccccc4)SC3=S)cc2)n1	2297449415	PTNBBVQLVBOSDT-UHFFFAOYSA-N	539.664	3.734	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	100849817	AIIYYEQKUIEHBS-KOXKPCSVSA-N	549.678	3.935	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864019701	PEXGWOVXSTVEIH-QFIPXVFZSA-N	527.021	3.532	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865034804	FEBNESGKAPNONS-RUZDIDTESA-N	531.657	3.614	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccnc(Cl)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869969595	FYCAZWYMWQJOJT-UHFFFAOYSA-N	519.993	3.912	10	10	KHCE	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1	2125454	VBZLRYPMWMXQDW-GZTJUZNOSA-N	500.248	3.711	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=N)N21	20206463	GPMFGPSHUZEUEJ-OEMPCWLZSA-N	512.613	3.773	10	10	KHCE	
CCN(CC)c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1	54310805	RCCXIYFEUZTFOE-NRFANRHFSA-N	509.466	3.890	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1	101397575	RFHYMQFUZWBJPU-NFBUKIRSSA-N	549.030	3.818	10	10	KHCE	
CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(C(=O)OC)cc3)C[C@H]2C(=O)NCc2cccnc2)cc1	102707987	NIQCSYHJXPCEPI-YTMVLYRLSA-N	529.685	3.764	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864010905	BRURFXALHXKOKZ-QFIPXVFZSA-N	506.559	3.863	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1	1864021682	FMGQZWGQPAHPDB-KRWDZBQOSA-N	512.529	3.741	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865034834	FXZSEUJWVWJYQV-HSZRJFAPSA-N	541.048	3.874	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCCCCC4)cn3CC(C)C)CC2)cc1	1870496633	VHYAAPQRIYXABL-UHFFFAOYSA-N	510.679	3.617	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)CC2)cc1	1872718898	VKWFLJWEELYVGS-UHFFFAOYSA-N	509.628	3.840	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCOC(C)C)ncnc21	1875220837	NORASYAUENZZJO-UHFFFAOYSA-N	524.666	3.666	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	2296697774	KQNLSXXVJAWOKL-GOSISDBHSA-N	505.669	3.799	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	2297346347	XQVGTSPRSXNAFH-UHFFFAOYSA-N	547.014	3.969	10	10	KHCE	
COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	2313559717	OAOFILXTHYCJNQ-UHFFFAOYSA-N	572.109	3.637	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=N)N21	96460381	TWNAMPHMKICZBZ-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
Cc1c(N2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	100850962	GNZAITJMAYAIBX-SCBQMXHTSA-N	588.715	3.512	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084137133	BBJVMSHCEZNYJZ-QHCPKHFHSA-N	540.483	3.935	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2	1864010383	LVTQZWNOFGIIJX-QHCPKHFHSA-N	504.587	3.998	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865031440	GXZGBHNFFLTLCP-JOCHJYFZSA-N	532.984	3.749	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865033215	UVAKLNHEQDVDLR-JPYJTQIMSA-N	539.032	3.957	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1	1869124193	LIWKBFFWMOVGEC-VWLOTQADSA-N	500.647	3.659	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(OC)c(OC)c4)n(C(C)(C)C)n3)CC2)cc1	1869970932	UGVPHKHWYNGIBN-UHFFFAOYSA-N	508.623	3.567	10	10	KHCE	
COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)cc2)cc1	2296538377	LHEJPVRCHNGZTR-SFHVURJKSA-N	515.634	3.702	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1	2297346368	ZSHQRUJYTMDCPI-UHFFFAOYSA-N	537.392	3.788	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3cc(OC)ccc3OC)c3ccccc3)CC2)cc1	2331198679	HTYNWTIMRDWPQT-LJAQVGFWSA-N	515.610	3.932	10	10	KHCE	
COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Br	33337814	OONNNCJDJUYHRR-YBEGLDIGSA-N	507.387	3.547	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCN(C)CC3)nc12	33692984	YPKMEJOQQXXYRM-RELWKKBWSA-N	519.696	3.589	10	10	KHCE	
CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	101738779	RQWBSWNAJOXARE-QXHVWWCLSA-N	570.689	3.829	10	10	KHCE	
CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110521643	SZDGGZOBMDCFLP-TYGBLEFESA-N	563.749	3.751	10	10	KHCE	
COc1ccc(S(=O)(=O)CCOC(C)=O)cc1Nc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O	111890412	QSUUWOZVFLFFKO-UHFFFAOYSA-N	536.562	3.509	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864011994	OQGVPFGWKATOTJ-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2	1864012561	DARJEWHUGVHYRY-XMMPIXPASA-N	511.582	3.950	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864021242	NWZGOCXJUYNNGP-DEOSSOPVSA-N	514.582	3.846	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865026628	QLILRHDLHLDCMO-HSZRJFAPSA-N	527.021	3.620	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(O)c(OCC)c1	1865036373	CYCCCUNHPMTECE-SANMLTNESA-N	547.656	3.758	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)cc3)C(=O)N=C2S1	2297346508	RGUCANZDQZJCPR-UHFFFAOYSA-N	502.599	3.615	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2364105	PAEDGAIPTINZSC-WNSCPLKPSA-N	533.679	3.667	10	10	KHCE	
CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3)CC2)SC1=S	33450745	YJJXBPOPWPXTBS-HRKXOBMBSA-N	507.685	3.892	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N	33812474	DFNMDYHKQPLKOQ-XKZIYDEJSA-N	525.675	3.888	10	10	KHCE	
COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)n1	101640051	MLTNJWWAHKKFTI-UHFFFAOYSA-N	590.750	3.555	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	252667915	DOCCKRGDBKLDJK-MHZLTWQESA-N	571.655	3.913	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864012179	TWWXSNQWYQBRPG-VWLOTQADSA-N	540.555	3.677	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(C(=O)OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864016877	ZJEXSGFSQNOVIN-QHCPKHFHSA-N	540.576	3.779	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865029649	SANGUPZIZLQICN-XFAGBWLFSA-N	518.614	3.875	10	10	KHCE	
CC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867261809	WWSFXUKBRGVQAA-HXUWFJFHSA-N	508.534	3.577	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867605756	CCINBNDYAASKKN-LOYHVIPDSA-N	607.777	3.514	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867693827	SQBSOSBGTIQPBE-GRKNLSHJSA-N	634.243	3.669	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868805772	QYWRRHRUGBBDMT-MUUNZHRXSA-N	563.743	3.637	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(=N)N21	2297345629	NMRBZXMZTOFTFI-UHFFFAOYSA-N	519.004	3.939	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	2313559078	QLAMWXHUDQTOOB-UHFFFAOYSA-N	551.390	3.760	10	10	KHCE	
C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCC(C(N)=O)(N2CCCCC2)CC1	33704706	OMYUGTVHKVJDCI-OBGWFSINSA-N	520.581	3.641	10	10	KHCE	
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1	59109330	LTVOGYVGWGEXCI-QPEQYQDCSA-N	510.138	3.555	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	101399023	VBURTFGHUOWCOH-VUYJYGDXSA-N	532.987	3.579	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864013477	BVJBVQQOFLHKMJ-QHCPKHFHSA-N	506.603	3.922	10	10	KHCE	
COc1ccc(-n2nncc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1866924459	MFUPULIUEUJPNI-HHHXNRCGSA-N	587.592	3.737	10	10	KHCE	
Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-]	1867846507	PBGFSPPDXHKTJR-XMMPIXPASA-N	540.621	3.729	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@H]5C4)nc(C(C)C)n3)CC2)cc1	1869101217	FQWBVQCRUPDQJH-AREMUKBSSA-N	512.658	3.881	10	10	KHCE	
Cc1cccc(Cn2cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c3ccccc32)c1	2296056424	CJDOKEQHVBXVHY-UHFFFAOYSA-N	526.622	3.866	10	10	KHCE	
Cc1ccc(OCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1C	2297345063	NOSBTNOZTJVWQM-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	658274	MKYZVFFITITKBV-IWIPYMOSSA-N	522.579	3.640	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCC	9259645	WPLLXIISCOKKPO-GDNBJRDFSA-N	512.344	3.883	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@@H]3c2ccc(O)c(O)c2)c1	1864011653	JREDENYGQWTMJL-RUZDIDTESA-N	511.582	3.674	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865026915	SWBSTOIBDKYWKI-VWLOTQADSA-N	528.540	3.910	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C(=O)OCC)C1)=C(N)O2	1865029668	SLCZGTAICRRTHZ-CYFREDJKSA-N	546.624	3.732	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1ccccc1OC(C)C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865459712	ATHUEUVCGNPRHC-RUZDIDTESA-N	531.657	3.822	10	10	KHCE	
COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1	1873421286	PRQOUQNDLJQOKV-UHFFFAOYSA-N	500.599	3.563	10	10	KHCE	
COc1ccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)c(OC)c1	1873933505	VQXOAVFCLIZWKG-UHFFFAOYSA-N	503.463	3.582	10	10	KHCE	
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874017316	NYZZZLLTQZAALE-NRFANRHFSA-N	501.926	3.955	10	10	KHCE	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	2313785066	IJGJKFBBUWHDGS-UHFFFAOYSA-N	521.618	3.778	10	10	KHCE	
Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1	33592350	XYDLXGRTMCDNPI-ZVHZXABRSA-N	522.583	3.540	10	10	KHCE	
O=S(=O)(O)c1ccc2c(/N=N\c3c(O)cc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1	100029620	QTZMAXMJTAFVLL-DQRAZIAOSA-N	554.536	3.560	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864021765	GIHAFONXNODGSM-IBGZPJMESA-N	532.519	3.989	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1865030641	NPEZFDHXBGPFSJ-XMMPIXPASA-N	538.620	3.750	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865031071	YGAWIELHWVREPE-VWLOTQADSA-N	549.647	3.683	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S	2296707922	YMSMALFMQBLILD-UHFFFAOYSA-N	563.705	3.665	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N21	2297345351	PCKYFZQEIVALHG-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297508812	MQAOYXFACDELMN-UHFFFAOYSA-N	562.692	3.582	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(O)c(Br)c1	2313558728	IICDYWAFBFFJCH-UHFFFAOYSA-N	500.143	3.888	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCc4sc(NC(=O)c5cc(OC)cc(OC)c5)nc43)CC2)cc1	8979868	WQHGAKAFULCRKX-JOCHJYFZSA-N	522.627	3.800	10	10	KHCE	
Cc1ccc(OCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1C	96459538	NOSBTNOZTJVWQM-RQFVJUFOSA-N	521.624	3.958	10	10	KHCE	
O=C(Oc1ccc2cc(C(=O)NC[C@H]3CCCO3)c(=O)oc2c1)c1ccc(C(=O)C(=O)c2ccccc2)cc1	101700874	WMSCHAZNOZKQJA-HSZRJFAPSA-N	525.513	3.987	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)N(CC)CC	101740647	WUWHBTANIBBYEA-LFIBNONCSA-N	545.477	3.771	10	10	KHCE	
CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1	1084623260	COJCITCGPBXPCZ-UUYOSTAYSA-N	517.494	3.556	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864008455	KPHFAONZNVYXIU-XMMPIXPASA-N	500.530	3.801	10	10	KHCE	
NC1=C(C(=O)NCc2ccccn2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864015523	BCRKNVCHOFHRFB-XMMPIXPASA-N	532.560	3.752	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@@H]2c1ccc(O)c(O)c1	1864015972	GZQDNJXKQPRQJJ-HSZRJFAPSA-N	517.630	3.668	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1	1864017130	GCDSGWINHSVCEJ-HSZRJFAPSA-N	527.581	3.821	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc(-c4cccnc4)n3)CC2)cc1	1868002904	QYXDTVQRDFOKNM-UHFFFAOYSA-N	531.661	3.931	10	10	KHCE	
CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868881158	LNRCSDAHJQKGPU-RBJSKKJNSA-N	505.619	3.542	10	10	KHCE	
CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868881159	LNRCSDAHJQKGPU-UFHPHHKVSA-N	505.619	3.542	10	10	KHCE	
COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1	1873425563	FWARIYDUWHLOOD-UHFFFAOYSA-N	500.599	3.627	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1	103702840	FGLQCDQUTYWRGO-LTGZKZEYSA-N	534.663	3.875	10	10	KHCE	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	103806077	HMJLSWPKDYJHRR-FKULMGGCSA-N	603.663	3.582	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1	150421855	IMLDGFQMDLYVMB-PCLIKHOPSA-N	635.768	3.900	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526139381	JTDOBPNBUQAOHI-VWLOTQADSA-N	505.596	3.943	10	10	KHCE	
COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1[N+](=O)[O-]	1860599490	XHTLYCCRJFTACO-UHFFFAOYSA-N	513.506	3.870	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864012967	NBBZMLMHGOFMNU-QHCPKHFHSA-N	549.031	3.725	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2	1864014184	PDKMDRSBKYDPBB-HOYKHHGWSA-N	534.613	3.554	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCc4ccccc4C2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865026842	BKZHUNDBCNVABA-AREMUKBSSA-N	524.577	3.880	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3OC)CC1)=C(N)O2	1865030036	AVVOTDBNICHCSY-RUZDIDTESA-N	547.656	3.709	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1cc(Cl)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865216066	PJTCOPRDHBAHRJ-HSZRJFAPSA-N	538.048	3.876	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(C)c1	1865559910	HZRWSNKMNCSAPQ-RUZDIDTESA-N	501.631	3.962	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1[N+](=O)[O-]	1865614418	FTEDJBHETLZAHM-DEOSSOPVSA-N	532.601	3.562	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868642010	JVIZKYUELNKXNG-MUUNZHRXSA-N	508.594	3.974	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12	2314399909	FCVNEYJJCQDBAZ-GJZGRUSLSA-N	500.646	3.551	10	10	KHCE	
O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2Br)C1=O	16911513	FWMLOUGXBPQDBI-LFIBNONCSA-N	507.387	3.849	10	10	KHCE	
COc1ccc(N2CCN(CCNC(=O)c3cn(-c4ccc(OC)cc4)c(=O)c4ccccc34)CC2)cc1	63547509	FLTAHWKOPKLHPN-UHFFFAOYSA-N	512.610	3.560	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1	101398050	WUUKXIPPMLARTH-FCASDSMHSA-N	537.392	3.788	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	105643369	ZKCIYIGXEWQRGA-XLLGHEEISA-N	602.742	3.820	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc1	1861969709	YFSGDKZPQVAUJN-IBGZPJMESA-N	510.443	3.875	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864007625	QRLXFLNPPZPZQM-VWLOTQADSA-N	522.565	3.522	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864012395	ZCIBUUKAEXCSEZ-XMMPIXPASA-N	500.530	3.801	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1	1864016910	ACTNWJXSGNOUOO-JOCHJYFZSA-N	513.554	3.573	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031540	JCIPSRPYLKGIKH-DEOSSOPVSA-N	524.577	3.812	10	10	KHCE	
CCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1OC	1865281840	MQEFEEJOLUFASD-AREMUKBSSA-N	547.656	3.671	10	10	KHCE	
CCCCN(CCO)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C	1873550253	BQLFXOXIZCZQSY-UHFFFAOYSA-N	508.667	3.657	10	10	KHCE	
CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCN(CC)CC)ncnc21	1875205035	FXJSSJYRHZDAHF-UHFFFAOYSA-N	507.683	3.956	10	10	KHCE	
COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	2297506194	AHZCHYXQQHUMLW-UHFFFAOYSA-N	606.730	3.747	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1	2328595039	WJNISLXOWGCCLG-HHHXNRCGSA-N	500.555	3.823	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	20207882	PGDFBFKFIYWQSM-NYSGOHGYSA-N	519.004	3.809	10	10	KHCE	
Cc1ccc(C)c(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	96459903	PGTZLICJAVCOCF-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100884365	PAQZXHSMQXWEIO-LYBHJNIJSA-N	563.749	3.953	10	10	KHCE	
CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	101738783	RQWBSWNAJOXARE-LBKCIFGTSA-N	570.689	3.829	10	10	KHCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	103917348	XFPCEUYRHGEXPS-FYJGNVAPSA-N	527.950	3.948	10	10	KHCE	
NC1=C(C(=O)NC[C@@H]2CCCO2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014017	LMXGGTQWKZKLRM-URXFXBBRSA-N	524.577	3.940	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865029401	MJQYLOJDZHUMLC-SQJMNOBHSA-N	532.641	3.753	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035260	POCIASLKAYOMET-RDPSFJRHSA-N	536.604	3.502	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1c(F)cccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865150041	XETNPLZQRTWZLG-QHCPKHFHSA-N	526.012	3.827	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(OC)cc1OC	1865538581	PFCLJBMVVDHTOG-SANMLTNESA-N	547.656	3.671	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)N2CCCCC2)cc1	1867617584	NOLVQVFLAYJVSM-GDLZYMKVSA-N	567.690	3.622	10	10	KHCE	
COc1c(Cl)ccc(Cl)c1C(=O)N[C@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867759742	XKXSARWWARHEDE-FGZHOGPDSA-N	537.488	3.502	10	10	KHCE	
CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867819315	UBJONEWLGFQLMU-ZCYQVOJMSA-N	540.621	3.729	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868605418	APTUUQKZOWEDJO-HHHXNRCGSA-N	558.635	3.722	10	10	KHCE	
CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O	1873164831	UWIUYJBYTLCVIU-UHFFFAOYSA-N	520.655	3.801	10	10	KHCE	
Cc1ccc(C)c(CN2C(=O)C(NCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1	1873169894	HMOSJXQZELOFGV-UHFFFAOYSA-N	512.654	3.913	10	10	KHCE	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	100137563	UUQCQCPDDFIDRZ-AWNIVKPZSA-N	554.216	3.815	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	100880666	MVKDUEMPLDPMGF-KMYAOZERSA-N	565.696	3.849	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1c(C)cccc1C	104558534	JPWSTGLVAYIFNY-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	104562989	HGQHUTWOJPEPQX-BJRGRWSZSA-N	528.612	3.553	10	10	KHCE	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1Cl	248042427	LGBZFSKNQFOORW-MGQBIDJDSA-N	534.012	3.936	10	10	KHCE	
COc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c(OC)c1	1860603560	BNXGYTFEBVKBLE-UHFFFAOYSA-N	512.562	3.899	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1	1864007053	FBZYRUFUHQDMPP-VNJOCVIMSA-N	504.587	3.990	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865033932	KUBRDHMHVIJYLU-AOMKIAJQSA-N	504.587	3.943	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3ccccc3C)CC2)cc1	1865653253	YSZJUVPWTXRMOI-MHZLTWQESA-N	536.636	3.936	10	10	KHCE	
CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866623865	WNIMKOAAEMUQLC-NRFANRHFSA-N	536.544	3.780	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1	1869229686	RIDUSMDVCVJGJB-AREMUKBSSA-N	512.658	3.710	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)n4C)CC2)cc1	1873650684	QLNBCKOUVSEBOK-UHFFFAOYSA-N	501.547	3.772	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccs1	2297345597	KNUAERLOZAMBFA-UHFFFAOYSA-N	532.625	3.623	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314828759	HLVSCNFAKHWYRA-XFQXTVEOSA-N	548.683	3.959	10	10	KHCE	
C[C@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(CO)cc1	2333190709	GGYJWDMIACSQCA-JKNORYIRSA-N	895.027	3.877	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	110073345	QNANMFQYGUKSKK-YMLINEMLSA-N	594.784	3.850	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1	206883408	XZJCQXKAVXEAAS-QNGOZBTKSA-N	511.625	3.633	10	10	KHCE	
CCN1C(=O)C(=c2sc(=C/C=C3\Sc4ccc([N+](=O)[O-])cc4N3C)c(=O)n2-c2ccccc2)SC1=S	254630729	LXUBCRQKBKANRD-KSAXJVDTSA-N	554.700	3.660	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864008129	CTFWDSKDVYKNDK-OAQYLSRUSA-N	537.370	3.958	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCS(=O)(=O)c3cccc(Cl)c3)CC2)cc1	1868789178	CTLFJCXFSGZBDH-HHHXNRCGSA-N	570.111	3.589	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3ccc4nc(O)c(Cc5ccccc5)cc4c3)CC2)cc1	1868928587	KBJBRFAAQSULGM-JOCHJYFZSA-N	538.648	3.936	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC(C)=O)c4)n(-c4ccccc4)n3)CC2)cc1	1869970711	VUOKTWCQZUBBOX-UHFFFAOYSA-N	512.570	3.780	10	10	KHCE	
COCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870979939	LOQIAJLEROVENH-RUZDIDTESA-N	506.603	3.524	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)NC2=S)cc1	2296133001	UGTVPKVILLAWLU-UHFFFAOYSA-N	541.585	3.721	10	10	KHCE	
CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)CC1	34847334	YNGQUWJIHRNQNF-OBGWFSINSA-N	500.646	3.777	10	10	KHCE	
CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	143352421	FSTXVVOEWWTROW-NHDPSOOVSA-N	554.650	3.845	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2	1864010382	LVTQZWNOFGIIJX-HSZRJFAPSA-N	504.587	3.998	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864012839	KKWBMRDYKQTCLZ-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865035560	WVWHUQKFMVQCSO-HSZRJFAPSA-N	538.048	3.964	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc([N+](=O)[O-])cc1	1865643632	SDUBWPSFUFATMH-DEOSSOPVSA-N	532.601	3.562	10	10	KHCE	
COc1ccc(CCCC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC	1866780088	SOQLVKGTQHTGQE-KRWDZBQOSA-N	500.551	3.945	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)N2CCCCC2)cc1	1867600026	OQNGQMSEMQBABJ-PXJZQJOASA-N	618.134	3.641	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)Nc5ccccn5)[nH]c4c3)CC2)cc1	1872825172	PJOSCKDHGZBZCM-UHFFFAOYSA-N	502.600	3.660	10	10	KHCE	
Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	2296542828	YYRUTJDPAXHYML-QGZVFWFLSA-N	536.635	3.724	10	10	KHCE	
Cc1ccccc1OCCn1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	2297345945	PWTOUVKCOYKMDD-UHFFFAOYSA-N	507.597	3.650	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1	2297346259	QEUYTRTXPGTEOT-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1	2313541776	YYXKVTPTEZWEQE-UHFFFAOYSA-N	519.579	3.729	10	10	KHCE	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1	33519369	UJXRVGKHBXEYSS-JIOFHBDDSA-N	505.534	3.670	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)CC)C2=O)CC1	33683831	SETRTPVYLIDGGF-NISQSXRWSA-N	514.673	3.782	10	10	KHCE	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	101377760	UJMPXOGECPZMJP-RLZFMFFCSA-N	576.719	3.969	10	10	KHCE	
CCOC(=O)C(=O)[C@H](C(=O)OCC)[C@@H](c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O	105679452	MEITZJXJAUZFIH-PKOBYXMFSA-N	501.329	3.540	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCc3csc(NS(=O)(=O)c4ccc(C)cc4)n3)CC2)cc1	106206586	MITZOXUAOHMKAR-UHFFFAOYSA-N	500.646	3.542	10	10	KHCE	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(I)c1	1084621965	FUOQMHSWSRWTQS-GHXNOFRVSA-N	529.153	3.591	10	10	KHCE	
NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1	1858591107	XZSMONUASISMHD-MHWRWJLKSA-N	501.424	3.680	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1	1862216518	AJUPETJXDUYTHJ-FDDCHVKYSA-N	506.068	3.703	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1	1864008760	RMINMJDEJUEXIN-FQEVSTJZSA-N	513.392	3.965	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864011302	GHCZMORLDHEUSP-RUZDIDTESA-N	537.636	3.723	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@H]2c1ccc(O)c(O)c1	1864015763	FDVGZWKMSXAUFD-QFIPXVFZSA-N	506.603	3.997	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)CC1	1865026251	KZONWVAGUSNSJD-XMMPIXPASA-N	538.048	3.553	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030369	IMPFGCLJFPUXAW-QFIPXVFZSA-N	525.005	3.502	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1	1868691266	ISAHJVNAHZIOHR-DEOSSOPVSA-N	507.631	3.594	10	10	KHCE	
COCCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871721238	FUEMGYFOLFUFEB-UHFFFAOYSA-N	507.639	3.608	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	101498222	OCXICPFQZMPJPD-IMLOQERYSA-N	537.627	3.712	10	10	KHCE	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)cc1	103638538	YBLIYUZXBZZZIY-VZUCSPMQSA-N	569.153	3.913	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S	110573315	KJHSYKATCHHKCZ-LFIBNONCSA-N	536.613	3.915	10	10	KHCE	
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)c(OS(=O)(=O)c3cccc4c3C=CC(=[N+]=[N-])C4=O)c2O)C1=O	159694270	HUJVGNAYDTWWKS-UHFFFAOYSA-N	694.659	3.919	10	10	KHCE	
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526140789	WBIDLPPDBWSGQN-DEOSSOPVSA-N	509.559	3.774	10	10	KHCE	
CCN(CC)CCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC	1860764092	ZEFHBAIELVHPTK-UHFFFAOYSA-N	560.717	3.544	10	10	KHCE	
Cc1nnc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)s1	1860827153	UBUHLCGIVOQWQA-CXUHLZMHSA-N	501.615	3.506	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1	1862071940	CUPOJNJXJCSXDD-NDEPHWFRSA-N	512.610	3.501	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864008820	SRLVUBAZQWWPBW-BBSYQJSYSA-N	542.636	3.546	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865431022	WAFVVWGMQBXSED-AREMUKBSSA-N	544.700	3.881	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868821013	JCIYLUCBXHJKPI-IHLOFXLRSA-N	544.671	3.875	10	10	KHCE	
CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	2053475892	CDVBCDJCQLWGKB-YJWDFKAOSA-N	602.976	3.575	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296303817	MDLUDGCHJNZOGQ-UHFFFAOYSA-N	505.669	3.941	10	10	KHCE	
Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Br)cc1	101398082	QEVTTYQBJOEJHZ-MRDWGVERSA-N	533.429	3.958	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4OC)cc3)C(=N)N21	104561236	WNXZVUWKRHWYCA-ONXBDCLISA-N	528.612	3.554	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864007934	XUCXPDCDDNGZMR-DEOSSOPVSA-N	546.967	3.985	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864015105	JQGPVNPWLUUTOB-HXUWFJFHSA-N	546.546	3.907	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865035074	KQPXOQKPCPSHGT-HJPURHCSSA-N	506.578	3.997	10	10	KHCE	
CCCCOc1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC	1867681197	XDVIWQGRMOQOCH-SXOMAYOGSA-N	554.732	3.764	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1	1868891321	ZHKBVGKDDUZYRQ-QHCPKHFHSA-N	570.488	3.915	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(CCN(C)C)C2=O)cc1	1873421277	OZHDLCDCVRAFHI-UHFFFAOYSA-N	526.685	3.600	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC45C[C@H]6C[C@@H](CC(O)(C6)C4)C5)c4ccccc34)[C@H]21	1873963690	HPLBTOMJDCTVFM-ACJIRMCOSA-N	510.638	3.988	10	10	KHCE	
CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCN3CCCC3)ncnc21	1875203492	XJPPXBDKXFJOPX-UHFFFAOYSA-N	505.667	3.710	10	10	KHCE	
Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc([N+](=O)[O-])cc1	2297508815	NGVARQPQRDVTNS-UHFFFAOYSA-N	522.583	3.540	10	10	KHCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1	20332055	MDDVLICTBGJYSF-HCNNPVLLSA-N	507.601	3.712	10	10	KHCE	
COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	101415415	DDWPNRRDUCYGNH-HMMYKYKNSA-N	520.567	3.692	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccc(OC)cc1	103074654	IUHQLLMQOITYIJ-SANMLTNESA-N	534.613	3.517	10	10	KHCE	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)C1=O	104595545	QESWHAHTJMWFLA-MHWRWJLKSA-N	598.207	3.941	10	10	KHCE	
O=C1/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	109966381	HVUUQUPHPVNUJG-PSRBBBRCSA-N	551.669	3.540	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864011613	WQRJADQCQNGBOM-XMMPIXPASA-N	527.581	3.651	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865026798	SBSYELNBULPICP-QHCPKHFHSA-N	545.011	3.759	10	10	KHCE	
CCCC[C@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868997616	JPHRDZDLJLQVRK-DEOSSOPVSA-N	548.640	3.954	10	10	KHCE	
COCCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870979940	LOQIAJLEROVENH-VWLOTQADSA-N	506.603	3.524	10	10	KHCE	
CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1	1871703019	DRGNLFURABLCBM-UHFFFAOYSA-N	501.639	3.663	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873168867	NGFDUCUWIJCMPE-UHFFFAOYSA-N	560.701	3.915	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c1	2296147095	BTRXRYRDSGCTLL-UHFFFAOYSA-N	556.691	3.856	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296233708	FFEDQZWHQDGVJO-UHFFFAOYSA-N	535.695	3.567	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	35375484	VXTUHGHIZBKUHA-QALXIQJFSA-N	522.652	3.718	10	10	KHCE	
Cc1cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)C2=O)ccc1Br	100100982	HKOGLSRIGZKWGO-ZSOIEALJSA-N	538.148	3.650	10	10	KHCE	
CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S	206849137	IQGWEBPIIMMJHZ-HKWRFOASSA-N	508.662	3.877	10	10	KHCE	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(ccc([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)c1O)C2=O	257379346	AQBUFJBHZGRZRV-OMNVXJAFSA-N	589.641	3.515	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864010540	NGDOUFZTQAKTBE-AVRDEDQJSA-N	525.005	3.879	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)c1	1865028081	OZWXTCVBAUDVNO-RPPIVITFSA-N	518.614	3.598	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865031054	YBQXGLDFMOMNAA-WMZHIEFXSA-N	539.032	3.626	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCOc4ccccc42)=C(N)O3)cc1	1865034512	YBAVMCCFLGCIHW-HSZRJFAPSA-N	526.549	3.627	10	10	KHCE	
CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867847410	VJZKNVNVXRKREU-WIOPSUGQSA-N	540.621	3.729	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(Cc4ccccc4)n3)CC2)cc1	1867945460	SNOXJQFHQIOKGT-UHFFFAOYSA-N	522.657	3.519	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)c3ccccc3)CC2)cc1	1869009957	OTVVXHWIPUIVDM-MHZLTWQESA-N	526.637	3.769	10	10	KHCE	
CC[C@H](C)NC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870962197	NMOHGATXQQWCAY-FQEVSTJZSA-N	505.619	3.634	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1	1871665813	ZQVIGFGFLHOBHZ-UHFFFAOYSA-N	511.074	3.698	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccc(F)cc3)CC2)cc1	1874642616	JMODGBINLHHBTM-MUUNZHRXSA-N	514.601	3.934	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3OC)CC2)cc1	1874643294	VOXQQLWKMHJHEL-MUUNZHRXSA-N	526.637	3.804	10	10	KHCE	
CCCC1=NN2C(=N)C(=Cc3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1	2297350747	MDDVLICTBGJYSF-UHFFFAOYSA-N	507.601	3.712	10	10	KHCE	
CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC	2313549290	RXIOFGRVASUJAG-UHFFFAOYSA-N	520.323	3.982	10	10	KHCE	
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	2313557714	KHZBTUYPEHUKFI-UHFFFAOYSA-N	525.714	3.850	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6353971	MSSGWWZBGCOYMZ-JGTYQCAFSA-N	586.508	3.644	10	10	KHCE	
CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990494	AXFHASLBICQUTL-FASCHPMRSA-N	516.689	3.987	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O	43732530	LQJBRCPEMVKYGQ-AYCKEJKLSA-N	509.609	3.581	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccccc1Cl	101397469	KFFJRKUZXGZHAR-WPQBYJDRSA-N	549.030	3.818	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864013617	YGRILWRVNYJKGO-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864019195	HQZNURHOUIPZBH-RUZDIDTESA-N	526.593	3.795	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C)cc1	1865179319	FTVJUNIHEFMJOZ-VWLOTQADSA-N	501.631	3.962	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867626459	GCGRRPYMXLLGDS-IZDARVJKSA-N	639.753	3.506	10	10	KHCE	
COC(=O)COc1cn(CCCN2CCCC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870870035	QDYRWCHJPOWHNQ-UHFFFAOYSA-N	504.587	3.768	10	10	KHCE	
COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873426295	YSDOBVAYORDTCH-UHFFFAOYSA-N	542.636	3.795	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	2294095052	GNFJXSXYPAHRGO-UHFFFAOYSA-N	531.359	3.683	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)cc1C	2313571353	UFTAECHGMRLZAS-UHFFFAOYSA-N	588.139	3.885	10	10	KHCE	
CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	2314770081	YYQYKLZCHQBBDV-VWLOTQADSA-N	570.689	3.829	10	10	KHCE	
O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1	16908206	JTLIOYJEOCWKFI-LFIBNONCSA-N	507.387	3.849	10	10	KHCE	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1	38619874	BZCZRRXYMHRCMI-QFIPXVFZSA-N	516.520	3.925	10	10	KHCE	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	101909581	PTZWWAWHUCTVQC-XUVWKZFSSA-N	573.762	3.995	10	10	KHCE	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	1084456678	RPJOXFNHYFYIHO-QPEQYQDCSA-N	527.112	3.729	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012931	MJOXAAGMVKUCNK-XMMPIXPASA-N	511.582	3.701	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864013504	BZKKSZOMUVJXLP-JOCHJYFZSA-N	517.611	3.746	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864013890	IEQAYOOYUHMBAN-DEOSSOPVSA-N	525.609	3.631	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1	1864015692	CYPVTMTWRFOWLS-HSZRJFAPSA-N	519.646	3.914	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865025726	CLZDDTQOGBMLSL-JRLRZGBRSA-N	506.578	3.989	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1	1871716898	XETRWTAWDSLIDM-UHFFFAOYSA-N	501.635	3.802	10	10	KHCE	
COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	2296696729	VXTUHGHIZBKUHA-IAGOWNOFSA-N	522.652	3.718	10	10	KHCE	
COc1ccc(C=C2SC(N3CCN(C(=O)CCN4C(=O)C(=Cc5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1OC	2297456614	XGSWWJUZZDTDOF-UHFFFAOYSA-N	652.776	3.839	10	10	KHCE	
O=C(CCC[C@@H]1[C@@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@H]23)NCc1ccc(N2CCOCC2)cc1	2297643006	CGXGSPCPAFKJPG-OBOPQLKYSA-N	545.728	3.720	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	2313558663	HBVAHUDMKJZGFN-UHFFFAOYSA-N	633.233	3.966	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)C(=O)O	2314933652	WVJFFXPCUANQMD-NSHDSACASA-N	537.413	3.856	10	10	KHCE	
C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326943725	FYQKQJMOXBEUKE-GFCCVEGCSA-N	516.000	3.760	10	10	KHCE	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)cc1	96460825	XJBBDZHYBYCIMC-UHHWSGGGSA-N	500.558	3.523	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1	101397584	CPYQPXIJTXKDMI-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	101739510	YYQYKLZCHQBBDV-LBKCIFGTSA-N	570.689	3.829	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1	106787509	QJOUSJPVYONDAF-DELVEFKNSA-N	520.586	3.905	10	10	KHCE	
CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143366658	SLSLUUHUGOVJNK-ZIHVZMLCSA-N	574.725	3.968	10	10	KHCE	
O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(c5ccc(F)cc5F)C4)cc3)CC2)cc1	206899524	BODQCIJGJACIKO-UDNBHOFDSA-N	614.657	3.768	10	10	KHCE	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	1084122045	PRLPKJZKMNNISN-NVNXTCNLSA-N	582.201	3.829	10	10	KHCE	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	1084390092	KMWBSABOQCVWMP-ZROIWOOFSA-N	598.390	3.602	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2	1864009663	JPWXOCHVNPNVIP-VWLOTQADSA-N	511.582	3.821	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864012571	DFYYOPFCOAYJFM-XMMPIXPASA-N	520.630	3.759	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864017278	JEDKREVDKRFERA-DEOSSOPVSA-N	526.549	3.586	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865029730	UHWSKRPHNXEYHP-NTKDMRAZSA-N	518.614	3.694	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865030057	BDCHXBSDSIMOQQ-QHCPKHFHSA-N	539.032	3.626	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865408262	YMZUMOSTEMOIDR-RUZDIDTESA-N	530.673	3.939	10	10	KHCE	
O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866858335	XDWQLNALCMGAAO-VWLOTQADSA-N	569.520	3.751	10	10	KHCE	
O=C(Cc1csc(COc2ccccc2)n1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868131438	OYLUVDBOKMRTND-UHFFFAOYSA-N	511.559	3.795	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868821015	JCIYLUCBXHJKPI-LOYHVIPDSA-N	544.671	3.875	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1	1868829315	YHWOIZNILZDVEH-JBOQNHBVSA-N	559.638	3.939	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1	1868939849	CFLMCNPWHQYCIX-MUUNZHRXSA-N	575.616	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccc(C)c(Br)c3)C(C)C)CC2)cc1	1869029533	PMKFMVMRVACLFG-XMMPIXPASA-N	502.453	3.798	10	10	KHCE	
COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873166331	LXRUHZZOHKDZAK-UHFFFAOYSA-N	528.653	3.695	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O	2294130997	RSGUWRVJKVTLGA-UHFFFAOYSA-N	510.138	3.982	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4cccc(C)c4)c(OC)c3)C(=N)N21	2297345615	MGWZANYQJAAYNB-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	108430468	UQUMHLFAVGFIJT-JMIUGGIZSA-N	544.611	3.744	10	10	KHCE	
COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	1084627543	DRIXYJVJUSZXPZ-WDZFZDKYSA-N	527.755	3.625	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12	1772719558	REICCAGLMQGCLD-WLCSKCRRSA-N	550.662	3.747	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1864022671	PSIBGKKKDQPTID-RBZFPXEDSA-N	540.498	3.647	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865025766	DKWDZWFFNKGKRI-AREMUKBSSA-N	544.583	3.506	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865025989	HGUKIDFVZFWLKQ-HUYGQZFBSA-N	525.005	3.635	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCc1ccncc1)=C(N)O2	1865035278	PVCRCBMGOWXNLA-HSZRJFAPSA-N	505.619	3.694	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1cn(C)c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865359297	DAXQFCVAEJBSAT-SANMLTNESA-N	540.668	3.916	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865380056	GVNYPMYBTCHOJA-RUZDIDTESA-N	530.673	3.939	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865546768	ZPEHNZXQTUCYIO-HSZRJFAPSA-N	505.594	3.564	10	10	KHCE	
O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@H]1COc2ccccc2O1	1873957899	NJJGWZVLQKBPFB-IBGZPJMESA-N	506.562	3.921	10	10	KHCE	
COc1ccc(C=C2SC(N3CCN(C(=O)CN4C(=O)C(=Cc5cc(OC)c(OC)c(OC)c5)SC4=S)CC3)=NC2=O)cc1	2053528350	HRQXQAYRBHZWQU-UHFFFAOYSA-N	654.792	3.737	10	10	KHCE	
Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1C	2294259196	RJZSVVUGFQKIMB-UHFFFAOYSA-N	576.454	3.902	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1	33470019	GMOGNVDSNOZXEK-CCWVLBSLSA-N	523.636	3.821	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S	40066673	BUBXDELXHIKOTA-NDENLUEZSA-N	500.621	3.944	10	10	KHCE	
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)c6ccc([N+](=O)[O-])cc6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N1	164005621	VKRJJKKPHSVMIS-UHFFFAOYSA-N	616.549	3.814	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)c(OC)c1	1084382420	INFHRTGGCWSCEP-NDENLUEZSA-N	505.552	3.641	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864008930	VHVNCCLRNNBPHL-NRFANRHFSA-N	543.418	3.590	10	10	KHCE	
CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015416	QROMANQASBSPAY-FQEVSTJZSA-N	545.562	3.514	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864017079	DXJVIWOXPOVCSX-MWTRTKDXSA-N	527.581	3.963	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864017918	YJVJBJDIEGKZHW-HSZRJFAPSA-N	530.556	3.988	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccco3)CC2)cc1	1865310537	QXBJWVIFXMQMDM-QHCPKHFHSA-N	511.582	3.732	10	10	KHCE	
O=C(Nc1ccc(I)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	1866109189	ICZPMRLHXJFJMN-UHFFFAOYSA-N	516.247	3.631	10	10	KHCE	
COc1cccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1	1867386592	ICBRNEVHKIECIF-IZZNHLLZSA-N	512.720	3.956	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)N5CCC(C)CC5)[nH]c4c3)CC2)cc1	1872824658	GKJSDZUSTQRAKP-UHFFFAOYSA-N	507.660	3.885	10	10	KHCE	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	2294061215	MJMVWGYFFGWMAZ-UHFFFAOYSA-N	561.410	3.986	10	10	KHCE	
CCCCCCN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S	2314433482	NTDYUGUYVRIMQU-UHFFFAOYSA-N	514.673	3.819	10	10	KHCE	
COc1ccc(C=CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	2328499695	ZEPBHIFDOHGQFC-NDEPHWFRSA-N	517.601	3.932	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cccn3-c3cc(C(F)(F)F)ccc3Cl)C(=N)N21	96462725	QQJHZTVLMGNCTE-AKDZLLARSA-N	501.899	3.771	10	10	KHCE	
CCC[C@@H](NC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC)C(=O)O	1860764017	WLAJWGNOAUFGEB-CYBMUJFWSA-N	511.394	3.835	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864007589	PYAYJIHYYDHOTE-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864013405	WRZPVTZQXBXOQJ-QHCPKHFHSA-N	524.593	3.670	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865029755	USGWQTMOOMNQQI-MWTRTKDXSA-N	539.032	3.815	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865030986	WIBJHTOTKMWLDX-FNZWTVRRSA-N	546.668	3.837	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865373681	QNPHVFJYWXEXQL-XMMPIXPASA-N	512.614	3.516	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccc(F)cc3F)CC2)cc1	1865420897	AVVLBIPQMIDBBJ-LJQANCHMSA-N	549.500	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1	1868964507	LNJKWBRGCYZVLN-NDEPHWFRSA-N	556.619	3.754	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cnc(C)cn4)n(-c4ccc(Cl)cc4)n3)CC2)cc1	1869970209	FSFYZUSPRGDQQP-UHFFFAOYSA-N	504.982	3.607	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5cccc(C)c5nc4n3Cc3ccccc3)CC2)cc1	1875237997	OSWFRUAAPSVRFZ-UHFFFAOYSA-N	507.594	3.977	10	10	KHCE	
N=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2297468069	HXLWACXCGSJRJV-UHFFFAOYSA-N	516.004	3.952	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCCCC3)nc12	33452812	LFPQIWCBSNJXFZ-SDXDJHTJSA-N	500.646	3.839	10	10	KHCE	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1[C@H]1CCS(=O)(=O)C1	102682255	YKQHFYJQDCCGFI-MEGCXXLRSA-N	539.660	3.699	10	10	KHCE	
O=C1[C@@H]2[C@H](c3ccc(N4CCCC4)cc3)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	106577871	NJYQMKZQZZRUDH-VWDBNSKXSA-N	585.573	3.619	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1864015645	UJDCYVKRCUTQSN-SFHVURJKSA-N	502.493	3.809	10	10	KHCE	
CCOc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC)cc1	1865282355	DJAHWMGRTYOPDH-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865368406	QLRUEMUDIMKWLU-RUZDIDTESA-N	526.641	3.906	10	10	KHCE	
CC[C@@](C)(NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867264295	USDQXEMEQAMXCY-SSEXGKCCSA-N	522.561	3.967	10	10	KHCE	
CC[C@@](C)(NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692103	WBFMXCBOERNDDD-SETSBSEESA-N	521.658	3.984	10	10	KHCE	
CCCOC(=O)c1ccc(CN2C(=O)C(NCCNC(C)=O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873166578	DJUUDNIPSQJWAQ-UHFFFAOYSA-N	542.636	3.667	10	10	KHCE	
CCCCCCN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	2296551071	PAAQVNUEMHYUTP-UHFFFAOYSA-N	529.688	3.755	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)CC2)cc1	2296730221	JFZXPRGFEWPSIU-QFIPXVFZSA-N	577.732	3.718	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297508970	DFSIXFLHHADSEY-JOCHJYFZSA-N	576.719	3.970	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S	2314399762	DGOONJSPMRFNRC-KRWDZBQOSA-N	527.716	3.814	10	10	KHCE	
Cc1ccc(S(=O)(=O)c2nc(C=C3SC(=S)N(C4CCCC4)C3=O)oc2N2CCOCC2)cc1	2314435762	KJBSHTIQYCHLIA-UHFFFAOYSA-N	519.670	3.796	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)cc1	2314827422	DQBYWACIGBJDFS-UHFFFAOYSA-N	539.660	3.753	10	10	KHCE	
C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S	2314837620	UYHCZHDBAMTLDI-NSHDSACASA-N	501.424	3.506	10	10	KHCE	
CN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2cc(Br)ccc21	40940288	AGBQSTYJXLDZIL-PFONDFGASA-N	508.806	3.995	10	10	KHCE	
CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531831	IXIFXWDWOXDTKL-SBGXLDQMSA-N	548.756	3.597	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)n2)cc1	206727935	BJGAFYPOSUJUEA-RVDMUPIBSA-N	536.707	3.900	10	10	KHCE	
O=C1/C(=C\c2cccs2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	207307588	KRIBWZGQLBRCRB-UOBPLZBXSA-N	565.764	3.749	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1	207324528	JUDSAVFIPBBHGS-BRYYZUPOSA-N	512.725	3.535	10	10	KHCE	
CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1	248045085	MAQXGJWCXYXZRE-OKUYAMHMSA-N	513.594	3.537	10	10	KHCE	
CCC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861971487	ITSINTIPSDNXNR-HHHXNRCGSA-N	510.654	3.680	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864008832	SXLBTKSGHGSXOE-RUZDIDTESA-N	512.566	3.541	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864015210	MEJGXAIBGKUSBQ-FQEVSTJZSA-N	546.546	3.906	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1	1864021370	BGPYWGJONXKEOM-KRWDZBQOSA-N	506.456	3.526	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865030085	BXUFNONSQCKJEJ-VWLOTQADSA-N	531.657	3.946	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2	1865035152	MKGNKTQDTIUFPU-DEOSSOPVSA-N	535.620	3.695	10	10	KHCE	
Cc1ccc(O)c(N=c2nc(N3CCN(c4ccccc4)CC3)[nH]c(N3CCN(c4ccccc4)CC3)n2)c1	1871732174	VUFIOXDYFRZYCO-UHFFFAOYSA-N	522.657	3.704	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	2297460954	YHLWIGARCYPGJY-UHFFFAOYSA-N	535.695	3.949	10	10	KHCE	
N=C1C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2297468148	WHMAOEBGQATEMW-UHFFFAOYSA-N	524.002	3.787	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccc(C)cc4)cc3)C(=N)N21	96460423	MNKKFKYMJWGNOY-DWCAQMBTSA-N	512.613	3.854	10	10	KHCE	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377628	DSAZOIMOMQKEJQ-MFKUBSTISA-N	627.561	3.954	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F	101397286	VKTORKBRCGTNID-WVIXDYEQSA-N	522.967	3.688	10	10	KHCE	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCC(=O)O	101688150	BNCSZYYFFLQEBM-MKMNVTDBSA-N	537.750	3.939	10	10	KHCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(S(=O)(=O)NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526139468	PGOGMZFKKLSBKE-RUZDIDTESA-N	521.595	3.643	10	10	KHCE	
COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1	1860604288	MGAULKCXDXNHGM-UHFFFAOYSA-N	513.506	3.870	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc4c(c2)OCO4)[C@H]3c2ccc(O)c(O)c2)cc1	1864012011	PAAPHNWGFHFYHB-SANMLTNESA-N	540.576	3.699	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019484	ZVMDOGACKSAWJP-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865027971	SBERQBNPFAFPNI-SANMLTNESA-N	536.636	3.882	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)CC1	1865031895	QUATYQPDVUVHAS-XMMPIXPASA-N	531.657	3.866	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1ccccc1Cl)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865165304	FRKWLYCZLQYKEQ-JOCHJYFZSA-N	508.022	3.688	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867500760	LAEBYLLPIWAURI-RXFWQSSRSA-N	547.700	3.609	10	10	KHCE	
CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867819314	UBJONEWLGFQLMU-UKILVPOCSA-N	540.621	3.729	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869028208	LJZRHFKQHJMUSA-HSZRJFAPSA-N	502.453	3.942	10	10	KHCE	
CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	2296938359	BBQUKNPVFJTWJU-UHFFFAOYSA-N	501.008	3.582	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N21	2297345394	SFVUWHHNWIRIKZ-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)NC2=S)cc1	2287331	UGTVPKVILLAWLU-HZHRSRAPSA-N	541.585	3.721	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccccc1I)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861912483	KCPRKCHQGUAUTR-HSZRJFAPSA-N	521.399	3.547	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864012382	YWIHEQXIUXWVOS-DEOSSOPVSA-N	518.520	3.940	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865030499	LBQNLFJTZYDAOT-XMMPIXPASA-N	525.565	3.751	10	10	KHCE	
NC1=C(C(=O)N2CCCC[C@H]2CCO)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1865031584	KHRFILGIQMHXRB-JXFKEZNVSA-N	544.530	3.760	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865032462	CSWNWZHUFRAEBN-BWKNWUBXSA-N	532.641	3.672	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(Cc3ccc(C)cc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865035073	KNCUSESZNIJNQE-VWLOTQADSA-N	531.657	3.614	10	10	KHCE	
COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)cc1	1865882875	KDUKVEBVSCKSHB-HHHXNRCGSA-N	537.620	3.853	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)N2CCCCC2)cc1	1867652415	WYRBBZWAOXHTLR-CONSDPRKSA-N	671.820	3.808	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867908577	WPDMHUHCXLIEDE-RBTNQOKQSA-N	571.678	3.604	10	10	KHCE	
CCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1	1871488639	KCTBNBITTCHUJO-UHFFFAOYSA-N	512.058	3.595	10	10	KHCE	
O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCCc1ccccc1	2296713583	MSGGPZPDUXCOJM-UHFFFAOYSA-N	503.605	3.757	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4ccccc4Cl)c4ccccc34)C(=N)N21	2297345060	MZNIVJRYLPRSHV-UHFFFAOYSA-N	528.015	3.995	10	10	KHCE	
Oc1cc(O)c(C[C@@H]2Oc3cc(O)c4c(c3[C@H]2c2ccc(O)c(O)c2)O[C@@H](c2ccc(O)c(O)c2)[C@@H](O)C4)c(O)c1	56874793	HLOYODWMNGTCGH-JVGXHWGJSA-N	562.527	3.504	10	10	KHCE	in-vitro
CC(C)(C)N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O	248218887	HGULTRZMOXNONA-LYXWCMDISA-N	507.425	3.993	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012387	YZISFYLSRPQBMG-QFIPXVFZSA-N	547.439	3.931	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865516737	LOUBWJRYKPHSKB-QHCPKHFHSA-N	505.594	3.564	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	2293406571	TVWBOFZZNHQZMD-UHFFFAOYSA-N	504.561	3.918	10	10	KHCE	
COC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	2314766550	ARYKUJJBRMGPKY-UHFFFAOYSA-N	557.488	3.613	10	10	KHCE	
CC[C@H](Oc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC)C(=O)O	2314933711	XCSZCEZZDZRTNE-HNNXBMFYSA-N	543.044	3.685	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(C)cc4)c(NC(C)=O)c3)CC2)cc1	8814100	KIOYCCMXPVDXGR-UHFFFAOYSA-N	507.612	3.757	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@H](c2ccncc2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	105973416	YVZIMSNIGZLLKR-KKVCJECGSA-N	530.675	3.790	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3ccncc3)CC2)cc1	1865401123	HORPZLKYPAYOFB-MHZLTWQESA-N	536.636	3.936	10	10	KHCE	
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1	526286297	IKCPBAIWBQUHLH-HSZRJFAPSA-N	505.479	3.737	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3sccc3C)CC2)cc1	1862246092	GLHGYGGETKXQKR-VWLOTQADSA-N	521.639	3.680	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864007624	QRLXFLNPPZPZQM-RUZDIDTESA-N	522.565	3.522	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864015190	LVLNBWJSECMKMQ-KRWDZBQOSA-N	504.465	3.530	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864017179	HFKJYNWRQBXGMU-QHCPKHFHSA-N	506.603	3.780	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864017781	VBWICEFXAMNYAF-XMMPIXPASA-N	549.672	3.779	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867797139	IYPYJYMVEYHCRG-BVAGGSTKSA-N	524.666	3.579	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3CCCCCO)CC2)cc1	1870608624	OIHJYJPYGCEIPE-UHFFFAOYSA-N	521.658	3.929	10	10	KHCE	
COCCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873557420	QXXNMJHRQKYSDG-NHCUHLMSSA-N	506.651	3.531	10	10	KHCE	
COCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccccc1	1873582175	ARIKOLQQTLRNNJ-UHFFFAOYSA-N	514.630	3.581	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1OC	2297093990	OQXLHQLCIPSKEQ-UHFFFAOYSA-N	513.535	3.985	10	10	KHCE	
Cc1ccc(C)c(OCCn2cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	2297345771	APAHSSBPEHBTKB-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC5(CC4)OCCO5)nc4ccccn4c3=O)SC2=S)cc1	109561165	PZBAEQCVYMIORB-PGMHBOJBSA-N	534.663	3.748	10	10	KHCE	
CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	110529514	NZWUSGCFJQINLF-BWAHOGKJSA-N	565.765	3.998	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	252670540	KYDRIHZQXYQUSP-VWLOTQADSA-N	500.624	3.654	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865033302	WOHDXKSPINFYHD-DFFLPILJSA-N	525.005	3.830	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C(N)O2	1865034983	IOFFZYARFHXESC-QFIPXVFZSA-N	524.021	3.573	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3cccc(C)c3)CC2)cc1	1865560581	YAKXRSLBGJWOOQ-MHZLTWQESA-N	536.636	3.936	10	10	KHCE	
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867500757	LAEBYLLPIWAURI-FNZWTVRRSA-N	547.700	3.609	10	10	KHCE	
CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870716429	KVDKVWRGKZLYKE-UHFFFAOYSA-N	511.022	3.870	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)CC1	1873162225	LCKTWLPIALVPEF-UHFFFAOYSA-N	522.646	3.810	10	10	KHCE	
CCN(CC)CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC	1875226861	FJSGSBKKARVSBP-UHFFFAOYSA-N	537.709	3.583	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	33356310	AXYVYJJZKBIDFP-QOOLADICSA-N	540.623	3.833	10	10	KHCE	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	33389250	BAGGBOZHXYOIAL-MIQLPHMESA-N	502.662	3.610	10	10	KHCE	
CCN(CC(=O)OC(C)(C)C)C[C@H](Cc1ccc(N)cc1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C	83407118	OJWCQXPDAPXLAL-QHCPKHFHSA-N	535.726	3.829	10	10	KHCE	
O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1	95619789	VLFKNLZNDSEVBZ-JSIRQEAESA-N	730.631	3.977	10	10	KHCE	endogenous,in-man
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C[C@@H](C)O1	150658048	JINZDXVURDZMCG-GATJUZPLSA-N	658.849	3.726	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015269	NSRCDFAWZJMZJM-LJQANCHMSA-N	532.519	3.599	10	10	KHCE	
CC(C)OCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864015487	ALDACNBPEFZQJX-QHCPKHFHSA-N	527.581	3.581	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865033907	KDPRAMNQVZJLMK-HXUWFJFHSA-N	543.546	3.767	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1cccc(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865583062	ZHRANQZXAKHPBH-DEOSSOPVSA-N	517.630	3.526	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3ccccc3C)CC2)cc1	1865656670	LPSDOMGTIVEEOR-FQEVSTJZSA-N	527.547	3.799	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868615799	OIEKBKVUTXTCIM-MHZLTWQESA-N	548.684	3.975	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3Cc3ccccc3)CC2)cc1	1870479608	MJQHVENCWKBALZ-UHFFFAOYSA-N	505.615	3.558	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873163994	HBRNLXQQSXLBTG-UHFFFAOYSA-N	504.656	3.748	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)CC1	2297461497	OITJCTUFFUSGHR-UHFFFAOYSA-N	526.684	3.926	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(C)cc1	2314832692	LQVRGDHAQXQDNS-QFIPXVFZSA-N	623.734	3.763	10	10	KHCE	
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O	3925051	ZKMUOYGGRAXPNM-WUXMJOGZSA-N	566.520	3.716	10	10	KHCE	
CCCCCCN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S	34988013	NTDYUGUYVRIMQU-ZPHPHTNESA-N	514.673	3.819	10	10	KHCE	
CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCCN(C)C)o2)n1	36028532	MRURWEADIGFMRM-UHFFFAOYSA-N	524.691	3.551	10	10	KHCE	
COc1ccc(CNc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)cc1	40066639	CRQSQSYXJKQORA-DUQUIBLKSA-N	510.641	3.566	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=N)N21	104560874	GBIFMORSKGCTKY-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=c1\s/c(=C2\N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	169617514	GDQMKBMLHARBIM-KDWICJRTSA-N	550.640	3.706	10	10	KHCE	
CCc1cccc(C)c1N1C[C@H](C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	1862174446	OTVPLCPZGYXFJC-DJUQAAIZSA-N	520.674	3.553	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@@H]2c1ccc(O)c(O)c1	1864017980	ZTNKHGNSMYJNGA-HSZRJFAPSA-N	527.581	3.786	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865028874	AFVPDQOBENUBBK-HJPURHCSSA-N	539.032	3.815	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(OC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865635685	RMHRNNMQGXAJRA-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21	1866863056	OXUUHYNXPKJCAZ-LYZGTLIUSA-N	573.605	3.887	10	10	KHCE	
CCN1C(=O)C(=c2sc(=CC=C3Sc4ccc([N+](=O)[O-])cc4N3C)c(=O)n2-c2ccccc2)SC1=S	2293556354	LXUBCRQKBKANRD-UHFFFAOYSA-N	554.700	3.660	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O[C@H](C)C(=O)O	2314933651	WVJFFXPCUANQMD-LLVKDONJSA-N	537.413	3.856	10	10	KHCE	
COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2)cc1	33930175	LHEJPVRCHNGZTR-YXMBDGMDSA-N	515.634	3.702	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCC[C@H]2CO)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031701	MJBCLLYAVNEGKW-WIOPSUGQSA-N	538.604	3.937	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccccc4OC)oc3C)C(C)C)CC2)cc1	1868655006	ITAYOGHTQGRFHM-HHHXNRCGSA-N	520.630	3.699	10	10	KHCE	
CCOc1ccc(CCn2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(O)cc2=O)cc1OCC	1870120261	UNWJRPQQLMTAFD-UHFFFAOYSA-N	521.614	3.565	10	10	KHCE	
COc1c(I)cc(I)cc1C=C1SC(=S)N(C)C1=O	2313507576	VIAPTEBKDWEXNF-UHFFFAOYSA-N	517.151	3.735	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2314838009	ZVJFXLYWSIUTFP-SNVBAGLBSA-N	516.453	3.869	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)c3ccco3)CC2)cc1	49486592	LQRWEZFJHUWDSM-JOCHJYFZSA-N	516.520	3.925	10	10	KHCE	
O=C(NCCc1ccc(O)cc1)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@H]1C(=O)NCCc1ccc(O)cc1	85881445	XENYXHLAFMZULS-ZWXJPIIXSA-N	596.636	3.783	10	10	KHCE	
O=C(O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	1084080035	KYUDKSAXDQGLCP-YHYXMXQVSA-N	558.179	3.645	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5ccccc5Cl)[nH]c4c3)CC2)cc1	1861889996	WJBXNFPNXCKISS-UHFFFAOYSA-N	503.990	3.971	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OCC)c(OCC)c1)=C(N)O2	1864009810	FGBRMIIYJKNXAN-DEOSSOPVSA-N	536.629	3.635	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864010667	AODRYOJJQPKXJP-VWLOTQADSA-N	530.556	3.680	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1	1864015136	KCQOCTRYDLKSFF-INIZCTEOSA-N	506.868	3.929	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1	1864017419	LSNKHHAQINKREU-OAQYLSRUSA-N	502.527	3.594	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(F)c3)c2O1	1865032207	XVXLJRUBBUUZOO-XMMPIXPASA-N	542.567	3.702	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3ccc(O)cc3)CC2)cc1	1865118618	QZNZSXIHUHAOEB-RUZDIDTESA-N	537.620	3.845	10	10	KHCE	
CCN(CC)CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1	1871651377	YAFIUSPPVMUXOE-UHFFFAOYSA-N	518.710	3.637	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1	1873169457	BCTNDUOPEKMYAC-UHFFFAOYSA-N	552.679	3.605	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=N)N21	2297345732	WSBWNWGMUFYKFC-UHFFFAOYSA-N	512.613	3.792	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	725385903	OKOXLJIVPCAACV-MHZLTWQESA-N	565.692	3.670	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccs2)=C(N)O3)cc1	1864021581	CVNXMHSLYDYYLN-HXUWFJFHSA-N	504.568	3.579	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2	1865028931	BNIRLKRCNNIHDV-QFIPXVFZSA-N	549.628	3.653	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C(N)O2	1865030435	JRRHRJKKHUTSRY-QHCPKHFHSA-N	538.048	3.964	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1	1867831266	UCXHKHOSPYZIMF-FQLXRVMXSA-N	604.664	3.959	10	10	KHCE	
CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868887592	BYYVXUDBXOHYOA-LOSJGSFVSA-N	505.619	3.542	10	10	KHCE	
COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1	1871486017	YFZPBDWLLJZKSX-UHFFFAOYSA-N	518.449	3.549	10	10	KHCE	
CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cn(C)c3ccccc23)C1=O	1873166814	IHJYQWXJIJDVIH-UHFFFAOYSA-N	523.637	3.634	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)c(OC)c1	2313543690	BQQCVZTXNRKGLH-UHFFFAOYSA-N	505.552	3.671	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314828889	POZIORVSEBDXTB-RVKKMQEKSA-N	536.722	3.882	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)CC)C2=O)CC1	33683832	SETRTPVYLIDGGF-TWQQJCIXSA-N	514.673	3.782	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1cccc(C)c1	101398307	FRPYMIIVZHBAJI-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)CS(=O)(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1	101507677	LEHFVKSPZQDLNL-UHFFFAOYSA-N	561.104	3.555	10	10	KHCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	103917257	YUVXONMAEFDHMA-RCCKNPSSSA-N	507.532	3.603	10	10	KHCE	
COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc([C@@H]3CCCO3)s2)sc(C)c1-c1ccc(C)c(C)c1	1860766751	MWUIWXGTPNFBNE-HNNXBMFYSA-N	500.602	3.829	10	10	KHCE	
CCCC[C@H](NC(=O)c1cccn(Cc2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862026405	WROAHLBAQDTHCD-MHZLTWQESA-N	516.642	3.543	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864010374	LSNNBTYDPDXPCQ-DEOSSOPVSA-N	511.582	3.950	10	10	KHCE	
Nc1ccc(NC(=O)CN2C(=O)c3c(I)c(I)c(I)c(I)c3C2=O)cc1	1865895064	MREREMNFWALOCN-UHFFFAOYSA-N	798.882	3.922	10	10	KHCE	
CCC[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692691	FBJHTPYOUIJCCY-UIOOFZCWSA-N	521.658	3.984	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(CCc5nc6ccccc6[nH]c5=O)[nH]c4c3)CC2)cc1	1872798017	DUNONSXVYRICHR-UHFFFAOYSA-N	508.582	3.556	10	10	KHCE	
COCCn1c(C(=O)Nc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873649928	CAWGUOJNJNYIJF-UHFFFAOYSA-N	500.603	3.974	10	10	KHCE	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1	2294094858	ARPAOZIXBFUZSM-UHFFFAOYSA-N	531.075	3.565	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1	2297552020	LKNFSFJVVXNVFF-UHFFFAOYSA-N	512.522	3.616	10	10	KHCE	
Cc1ccsc1CN(C(=O)CN1C(=O)C(=Cc2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1	2314600137	JUDSAVFIPBBHGS-AWEZNQCLSA-N	512.725	3.535	10	10	KHCE	
CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	2314769533	RQWBSWNAJOXARE-VWLOTQADSA-N	570.689	3.829	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12	100850972	ZKCIYIGXEWQRGA-VOLNOZNDSA-N	602.742	3.820	10	10	KHCE	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1	164006251	GIQKNXRUKCGGIB-UHFFFAOYSA-N	674.742	3.995	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864009624	CLVZKAANPYAZNN-NRFANRHFSA-N	512.994	3.737	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864012719	HPZZDCQCCVLBOF-VWLOTQADSA-N	533.673	3.838	10	10	KHCE	
NC1=C(C(=O)NCc2ccccn2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864015401	QJEMVTISRCXFKU-LJQANCHMSA-N	523.471	3.708	10	10	KHCE	
CC[C@@](C)(NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866858082	SGZIRUDJRQGQAZ-HHHXNRCGSA-N	505.477	3.602	10	10	KHCE	
CCCc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869220872	LVHMMQXGGOWRIK-UHFFFAOYSA-N	506.695	3.993	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3)ncnc21	1875224102	VVHBURMMMPVIDA-UHFFFAOYSA-N	500.603	3.661	10	10	KHCE	
COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	2313558566	DRIXYJVJUSZXPZ-UHFFFAOYSA-N	527.755	3.625	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(I)c(O)c(I)c2)SC1=S	2314457865	FKMDJRZXFRGWRV-UHFFFAOYSA-N	517.151	3.823	10	10	KHCE	
CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	2314759653	FNNQUGZGFOUFIQ-UHFFFAOYSA-N	601.541	3.630	10	10	KHCE	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)C1=O)Nc1ccc(Cl)cc1	33707165	YCQWGITXBUWKTP-PGXPTPECSA-N	512.012	3.864	10	10	KHCE	
Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3/SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(=O)n2c1	100850598	VLOPEPNIVJCTSF-HIXSDJFHSA-N	615.822	3.914	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019469	ZNGXYXLOQWEWNI-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864020394	XZXOZQQTLXJFPN-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864021180	MOGBWKXYCZVWFZ-KBMIEXCESA-N	526.593	3.989	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864021965	SFZXSLXDXUUDND-VWLOTQADSA-N	528.609	3.973	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031569	JXMBZCPAHCZBQY-QEEYODRMSA-N	544.530	3.941	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](Cc3ccccn3)c3ccccc3)C(C)C)CC2)cc1	1868659058	DONAMVYDQKKAIN-VSGBNLITSA-N	500.643	3.906	10	10	KHCE	
CCCCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC	1875224361	PFCJWRJSRBONTK-UHFFFAOYSA-N	524.666	3.667	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	2296943221	OHKDOQJDRAEYOV-LJQANCHMSA-N	565.696	3.849	10	10	KHCE	
CC[C@](C)(NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997400	NXVOIRKLBIIVDB-BTYSJIOQSA-N	510.654	3.680	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864011798	LCUYLDUYTSAKKD-JOCHJYFZSA-N	506.946	3.908	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCCN2CCCC2)[C@@H]3c2ccc(O)c(O)c2)c1	1864012290	WWUWJHODAZCBJN-HHHXNRCGSA-N	545.684	3.955	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC(=O)OCC)Cc1ccccc1)=C(N)O2	1865030468	KJSAATYYPQMVJN-RUZDIDTESA-N	548.640	3.943	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@H](CO)C2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031241	CATCMWYWMMBKDA-UQBPGWFLSA-N	538.604	3.876	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865033284	WBOWUEUHJNCBRC-AREMUKBSSA-N	540.620	3.621	10	10	KHCE	
CSCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866879254	OBCAFSACWUKGNP-MHECFPHRSA-N	541.629	3.692	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	2296110593	TXNHGAPOKDSJCJ-UHFFFAOYSA-N	506.511	3.943	10	10	KHCE	
O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	2296697907	YVKLDOMXPBOVAG-UHFFFAOYSA-N	546.634	3.523	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)C(=Cc2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1	2314600198	QOOUGJXIMGNCPZ-HNNXBMFYSA-N	526.752	3.925	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	20208575	WTWZOPLIGPDQLI-MRDWGVERSA-N	506.009	3.768	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1	102987324	FSZUTJGPBQXVLU-RCCKNPSSSA-N	505.669	3.546	10	10	KHCE	
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccn3C)C[C@H]2c2ccc(Cl)cc2)cc1	103431663	GWBQWBUSYNMWDV-NDEPHWFRSA-N	564.086	3.839	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cc(C)cc(C)c1	104559241	IKGCAQPJQCQKIL-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
O=C1[C@@H]2[C@H](c3ccc(N4CCCC4)cc3)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	247400817	NJYQMKZQZZRUDH-OKUYAMHMSA-N	585.573	3.619	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864011909	MPEOFDOKDSAXBR-QFIPXVFZSA-N	512.994	3.542	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864012088	QUMUQUPXYQYGMT-DEOSSOPVSA-N	500.530	3.801	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864012555	CXPXUDWBLGQREP-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864019723	PTGBJUMSFQUQIV-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3Cl)CC1)[C@H]2c1ccc(O)c(O)c1	1865027471	YTKLRBKVOKOVDM-QHCPKHFHSA-N	524.021	3.710	10	10	KHCE	
C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031279	DGMNVVVGGTUYIJ-NXMSCROESA-N	539.592	3.676	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3ccncc3)CC2)cc1	1865403002	OCMYYZMSLGKIQC-HHHXNRCGSA-N	536.636	3.687	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3O)CC2)cc1	1865528049	ZHBQTZVITBVHGN-VWLOTQADSA-N	517.630	3.605	10	10	KHCE	
CCCC[C@@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867043786	VJRWQJGYJXZMCE-HXUWFJFHSA-N	530.610	3.516	10	10	KHCE	
COCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870773218	WRQAYTDYICQMJP-UHFFFAOYSA-N	521.658	3.982	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1	2295880059	LMUCQQCPFFZGBD-UHFFFAOYSA-N	525.517	3.557	10	10	KHCE	
O=C1NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(I)cc(I)c1O	2297100824	RSCMRNLZYIRLPG-UHFFFAOYSA-N	566.520	3.716	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S	33811971	NLTVLUJZNYDZMW-MKYLKIGJSA-N	501.722	3.735	10	10	KHCE	
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccccc4OC(F)F)c(=O)n32)cc1	101578800	WJDJWXPSQYEACQ-FQWPPLDYSA-N	527.593	3.856	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	102587906	FFEDQZWHQDGVJO-RELWKKBWSA-N	535.695	3.567	10	10	KHCE	
CCOC(=O)C(=O)[C@@H](C(=O)OCC)[C@H](c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O	105679456	MEITZJXJAUZFIH-MJGOQNOKSA-N	501.329	3.540	10	10	KHCE	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	229790998	UJMPXOGECPZMJP-MBEOZBFASA-N	576.719	3.969	10	10	KHCE	
CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1	1860709485	UOIPZFWDVMDIEB-UHFFFAOYSA-N	517.055	3.895	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccccc1I)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861912484	KCPRKCHQGUAUTR-QHCPKHFHSA-N	521.399	3.547	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864008289	HMVONQVAMSYVCQ-VWLOTQADSA-N	512.566	3.671	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@H]3c2ccc(O)c(O)c2)c1	1864012053	PWIMRDAMLDSMQA-VWLOTQADSA-N	511.582	3.674	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1	1864015526	BJUPEIYSMGIIAN-JOCHJYFZSA-N	506.603	3.853	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864019573	MQCAUBOECWHGPR-QFIPXVFZSA-N	502.596	3.978	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1cc(Cl)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865212554	LXSUEWOXIGHZBI-HSZRJFAPSA-N	538.048	3.784	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1	1869228811	JFILUBLRAFHTKY-SANMLTNESA-N	530.648	3.849	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870729710	QJMCILFZLVJXDS-UHFFFAOYSA-N	504.631	3.915	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1OC	2296724852	KRUXNPWTNJFUMV-UHFFFAOYSA-N	522.652	3.756	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccc(C)cc1	2297345575	IYLVYQFTPORWTE-UHFFFAOYSA-N	542.639	3.861	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1O	2297624494	XBMGNONNVNUMGE-UHFFFAOYSA-N	508.337	3.535	10	10	KHCE	
CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1	38637567	MXRAVRXJCZPQLR-DEOSSOPVSA-N	526.659	3.787	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C/c4ccc(F)cc4)Oc4ccccc43)CC2)cc1	105341483	UAJYKDCEOLQXOE-ANYBSYGZSA-N	544.627	3.929	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	105480624	YGRQKHYLEQZASW-STZFKDTASA-N	567.668	3.822	10	10	KHCE	
CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC1CCCCC1)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	248214127	FNDPVKSPSLVMDF-CMCWBKRRSA-N	507.425	3.994	10	10	KHCE	
CCc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1	1858625307	ZBAJLCWVSIYSLP-UHFFFAOYSA-N	503.580	3.563	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020430	YVJHDFRXWNBIHY-JOCHJYFZSA-N	535.004	3.597	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	100850001	NELLYTCHIDXVMC-PTGBLXJZSA-N	593.731	3.734	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1O	248136254	CTDZZMYPIXWMPG-FZVPRWPTSA-N	536.968	3.584	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	252667711	DHTMBGXSBUWSME-HHHXNRCGSA-N	565.692	3.670	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	1084487944	BHWZDILTQUEXBZ-WOJGMQOQSA-N	525.319	3.739	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864008379	JGHCFRGXBVFKPF-QFIPXVFZSA-N	548.397	3.760	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012764	IVEHGBXADSHABD-HSZRJFAPSA-N	541.048	3.922	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864014279	RAWQHTNAKWRLJP-NYHFZMIOSA-N	532.984	3.796	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865511631	LGAXVDKELPPTHQ-VWLOTQADSA-N	547.656	3.535	10	10	KHCE	
CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1	1871521379	HVVYHZJZLQBMMS-UHFFFAOYSA-N	506.611	3.695	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297508971	DFSIXFLHHADSEY-QFIPXVFZSA-N	576.719	3.970	10	10	KHCE	
O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1	2314936090	UYIHHOOGZPNBLW-UHFFFAOYSA-N	508.480	3.524	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	100886218	ZAVZKCZOPCYYJA-PXLXIMEGSA-N	535.695	3.555	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C	101397722	LHBYWIQBYPMYPR-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	103708623	DNQFFPJGGLVIMK-HPFVHPJRSA-N	575.691	3.763	10	10	KHCE	
N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n1-c1ccc(F)cc1	254590382	RSYDHVVUXRIHNX-UHFFFAOYSA-N	585.665	3.806	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864011457	URLSQAKMFLDNTK-QHCPKHFHSA-N	549.031	3.987	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012930	MJOXAAGMVKUCNK-DEOSSOPVSA-N	511.582	3.701	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(Cl)c3)c2O1	1864014751	BOXYOKGNKNRURI-QGZVFWFLSA-N	520.895	3.988	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864023366	YLCZSSHNDHKUQM-IBGZPJMESA-N	532.519	3.989	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865030811	RPAPWUNZXIBQRS-VWLOTQADSA-N	534.657	3.919	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1Cl	1865162691	ATKFVCFDNARQFF-QHCPKHFHSA-N	508.022	3.917	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(N(C)C)cc3)CC2)cc1	1874642739	MDDRQOYKCWJZJC-GDLZYMKVSA-N	525.653	3.932	10	10	KHCE	
CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	2314754783	BNDIXZQYLSFWNO-UHFFFAOYSA-N	550.699	3.648	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O	247920678	OBSSFJLJTJNCHZ-TXHDDHBJSA-N	573.602	3.950	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc21	1858626467	FAGJKCDDFMUVDJ-UHFFFAOYSA-N	509.971	3.654	10	10	KHCE	
CCc1nnc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)s1	1860827100	RQTUEOFPSZDRCO-MHWRWJLKSA-N	515.642	3.760	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020155	WNKVMHUHXUFKAO-QFIPXVFZSA-N	535.004	3.597	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(F)cc4)[C@@H]3c3ccc[nH]3)CC2)cc1	1865597103	MEQGFAQHHCPXBZ-SANMLTNESA-N	542.615	3.759	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(-c4cccnc4)n3)CC2)cc1	1869366137	KHGRFOVXQSZAKQ-SANMLTNESA-N	509.614	3.847	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1O	2294133912	MITOZTUXZGYXEY-UHFFFAOYSA-N	510.138	3.982	10	10	KHCE	
N=C1C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	2297469188	SRBAZGIDNUVMIJ-UHFFFAOYSA-N	517.567	3.626	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(OC)cc4)c(Cl)c3)C(=O)N=C2S1	101399169	WAAAWEJOEPIPMG-MGGLCJOQSA-N	532.987	3.579	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=N)N21	104559443	YRQXFRDQYIGKRC-SSXFGNHASA-N	523.379	3.834	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O	210747573	SSSWUCCSVJIIQN-RCCKNPSSSA-N	549.696	3.839	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	1615296197	HLVSCNFAKHWYRA-SSNBBSKJSA-N	548.683	3.959	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2	1864009954	GKZNRDYNZMJVFK-IBGZPJMESA-N	502.493	3.814	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864013188	RXLOQIWUMJNKKB-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]3c2ccc(O)c(O)c2)cc1	1864016724	WJXJQJCUWITIGO-HOYKHHGWSA-N	526.593	3.510	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865031037	XODZLGWTWRTYQZ-NLFFAJNJSA-N	532.641	3.529	10	10	KHCE	
O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccccc1	2294093820	SILCIYAAUKQBQS-UHFFFAOYSA-N	508.490	3.675	10	10	KHCE	
O=C1C(=Cc2cccs2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	2314828801	KRIBWZGQLBRCRB-QGZVFWFLSA-N	565.764	3.749	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)C1	101023994	MSIUBLPBFRUMIJ-XMMPIXPASA-N	540.089	3.892	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	101498125	QSHBMLUTNGZWAB-GGHQPTPASA-N	537.627	3.720	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	102588896	NFOSHKZCDZCCCM-PTGBLXJZSA-N	549.722	3.957	10	10	KHCE	
O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	105487185	SRIDQHRAKXGZBI-ACRUOGEOSA-N	502.866	3.943	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)cc2)C[C@@H](C)O1	229817865	HMUBCAIHRVVUDL-LLXPVONNSA-N	563.698	3.854	10	10	KHCE	
CCCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862165115	QPJGKMMXQKTVQC-LLGBQNBKSA-N	520.674	3.629	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2	1864013562	CMOGOAJLUXZPII-DEOSSOPVSA-N	514.582	3.582	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)c(OC)c1)=C(N)O2	1864014580	YUTFVLJZKZRLLP-DEOSSOPVSA-N	536.629	3.728	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cc(C)ccc1O	1865204897	PVMNKOMSRIOACQ-VWLOTQADSA-N	531.657	3.922	10	10	KHCE	
CC[C@@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867228921	IXFZONBIAGNGSF-HSZRJFAPSA-N	565.623	3.534	10	10	KHCE	
CCCCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871482032	UOWHLZPYDRYJKO-UHFFFAOYSA-N	504.639	3.933	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3F)CC2)cc1	1874642661	KMXMAHWOFVRAGS-NDEPHWFRSA-N	514.601	3.934	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	2313556498	AZHSOVWIAVBYEQ-UHFFFAOYSA-N	567.913	3.900	10	10	KHCE	
O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1	2314934253	GSDPDPFGHFHWLO-UHFFFAOYSA-N	522.507	3.914	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	20208586	CQEUGTGMRYBSFK-MRDWGVERSA-N	506.009	3.768	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccccc1C	101395105	CFJDBNADMUDYRA-UIBINATQSA-N	542.639	3.863	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(Cl)cc1	104562924	BHVFDQVBMGWAFI-CNXJSLBUSA-N	547.014	3.968	10	10	KHCE	
Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccccc1Br	105156569	JNJPLHJGYIYHQR-UHFFFAOYSA-N	534.395	3.928	10	10	KHCE	
CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	110531600	BYHSCHUSSGZYGT-HMAPJEAMSA-N	569.684	3.580	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864013376	WPARRHYEUJLRJW-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864017353	KHDDHRGANQSDEW-OAQYLSRUSA-N	512.994	3.737	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865350004	PKXDIVRWCBAYHR-AREMUKBSSA-N	532.689	3.882	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccc(O)c(OC)c3)CC2)cc1	1865473495	ARWLKBHTKAXUNR-SANMLTNESA-N	547.656	3.614	10	10	KHCE	
COC(=O)c1c(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccccc1	1865988927	RVFYZWYJXQWYRE-IBGZPJMESA-N	540.619	3.548	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867278436	ILZLOZHVEONASQ-IAPPQJPRSA-N	532.600	3.826	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867608121	USUXCSHKOREAQT-XZWHSSHBSA-N	609.768	3.948	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(Oc4ccccc4OC)cc3)CC2)cc1	1892072693	WABWVJXQPVLUDA-HXUWFJFHSA-N	525.627	3.512	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C	2297345770	AMBMQOOMVHFHEG-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	2297509085	UJMPXOGECPZMJP-VXKWHMMOSA-N	576.719	3.969	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314754300	OXUVQKNNOFXYRG-UHFFFAOYSA-N	601.541	3.932	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1	2328603555	WQFUWTZGSUWPKP-MHZLTWQESA-N	514.582	3.693	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	101602634	MDBCIWYPEWNOHB-WSLMLHKMSA-N	609.476	3.994	10	10	KHCE	
CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	110531170	XLDVXEFIUFPJSK-QJOMJCCJSA-N	565.721	3.831	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864007983	YXAKCYSKAJKLOT-VWLOTQADSA-N	528.565	3.620	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C(N)O2	1865029442	NHPZZBMTKSWLFH-DEOSSOPVSA-N	538.048	3.956	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865402657	RLELZORKNAIFJJ-XMMPIXPASA-N	516.646	3.549	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867508335	XSQMGZOVHPQGMC-SXOMAYOGSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1	1868757858	FEJJAEJKGQPNED-GDLZYMKVSA-N	539.636	3.585	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=N)N21	2297345687	RYNLWQUIGQAXAO-UHFFFAOYSA-N	506.009	3.768	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(NC(=O)CCN3CCOCC3)C2=O)cc1	2314488263	MWTOBKSWFATVLW-UHFFFAOYSA-N	549.678	3.503	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1	207324662	QOOUGJXIMGNCPZ-VUVCFOEZSA-N	526.752	3.925	10	10	KHCE	
CCc1ccccc1OCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862279482	QEGOUJPNGDHDDC-HHHXNRCGSA-N	519.617	3.852	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864018751	BVMFUTDCLNMAIO-VWLOTQADSA-N	525.609	3.928	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865026936	UAGOQWNOORTISL-DEOSSOPVSA-N	538.048	3.552	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1865027174	VPXJCKZLAJTKCY-AREMUKBSSA-N	543.599	3.971	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865029404	MKWIPAJVVNHFSJ-RUZDIDTESA-N	531.657	3.793	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031541	JCIPSRPYLKGIKH-XMMPIXPASA-N	524.577	3.812	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1	1871729272	BCSBRSMPPKVUSK-UHFFFAOYSA-N	518.625	3.955	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314600265	VTSDJDCNWPBROX-IBGZPJMESA-N	536.672	3.924	10	10	KHCE	
Cc1nnc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)s1	2326954675	UBUHLCGIVOQWQA-UHFFFAOYSA-N	501.615	3.506	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCc4sc(NC(=O)c5ccc6c(c5)OCO6)nc43)CC2)cc1	8979809	CKOBRFNNQQEMLS-IBGZPJMESA-N	506.584	3.511	10	10	KHCE	
O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1	101283001	SFYUVWUSVSJSEB-OCTXWABXSA-N	545.104	3.958	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864013520	XQQFDCIPEYAGOR-DEOSSOPVSA-N	527.581	3.651	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CC2)[C@H]3c2ccc(O)c(O)c2)cc1	1864015581	RYSPIWCAUDWBAX-SFHVURJKSA-N	500.477	3.643	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865029015	DDYYVHHQUQATPD-HFJWLAOPSA-N	526.593	3.671	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865030765	QILFCEBCOBDYBD-XMMPIXPASA-N	517.630	3.700	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COc4cccc(OC)c4)n(-c4ccc(C)cc4)n3)CC2)cc1	1869970854	YAEUMEDLDBPGJS-UHFFFAOYSA-N	528.613	3.937	10	10	KHCE	
COCCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873166412	OXPVJYAQBSPQHS-UHFFFAOYSA-N	503.599	3.670	10	10	KHCE	
COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1OC	1873168608	BOERTPAWJJFLJB-UHFFFAOYSA-N	502.615	3.543	10	10	KHCE	
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	2294204839	JICUQZNLMIVTEY-UHFFFAOYSA-N	523.954	3.975	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	100880607	ZYZGHMUUPSUHRD-RELWKKBWSA-N	553.685	3.788	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1	1864017620	QDHDSCJVPVFXJL-JOCHJYFZSA-N	522.602	3.616	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865032775	KOXVQYLSQGNEQP-MWTRTKDXSA-N	504.587	3.808	10	10	KHCE	
CSCC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866627771	TUYAYSRCGIJQBC-VWLOTQADSA-N	591.711	3.882	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](O)c5ccc(Cl)cc5)ncnc4n3C)CC2)cc1	1875198498	GNUZCXIZSRXTGA-XMMPIXPASA-N	521.021	3.738	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S	102824217	YJDBGUKYCKONLL-HEHNFIMWSA-N	521.668	3.641	10	10	KHCE	
Cc1ccc(CN2C(=O)/C(=C\c3c(NCCCN4CCOCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1	102927943	NNMUBRFDZQVHFD-XQNSMLJCSA-N	549.722	3.847	10	10	KHCE	
CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3sc(=Cc4ccc(N(C)C)cc4)c(=O)n32)ccc1OC(C)=O	254302897	AIRCXDQJFHQZPX-NDEPHWFRSA-N	577.703	3.824	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2	1864012603	DUCUHMFVNSJLQJ-HXUWFJFHSA-N	500.958	3.918	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865027893	NDODKERXQLPVNX-QFIPXVFZSA-N	512.994	3.561	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868617956	QGHPFUJBPIUPIQ-XMMPIXPASA-N	533.629	3.504	10	10	KHCE	
Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873166400	OKEBDWFKEVTENW-UHFFFAOYSA-N	512.654	3.995	10	10	KHCE	
O=C1N=C(N2CCOCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1	2296846472	PSEDQZZGHAMYBI-UHFFFAOYSA-N	549.678	3.626	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c23)C1=O	2297531864	JLUNDIVVCWHDNH-UHFFFAOYSA-N	539.729	3.523	10	10	KHCE	
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c(O)nc(O)n(-c2cccc(Cl)c2)c1=O	2297604839	HMNYYINVCMPABE-UHFFFAOYSA-N	548.724	3.708	10	10	KHCE	
CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	2314476052	HWNROMOBGBZSCS-UHFFFAOYSA-N	540.692	3.781	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=N)N21	101395288	UXLDROBYKVUSLJ-ATKCCKKESA-N	520.434	3.868	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1cccc(C)c1	104557856	JYKDTCVWCGSYAB-SSOZYACPSA-N	549.030	3.736	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	252671571	NPRGGSHQANOTBO-HHHXNRCGSA-N	565.692	3.757	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]34)CC2)cc1	606675502	LNCYVADCMBVTBX-NDEPHWFRSA-N	510.594	3.939	10	10	KHCE	
NC1=C(C(=O)NCc2ccncc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864015734	DRZAGILZPNMTBP-DEOSSOPVSA-N	532.560	3.752	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2	1865029477	OFAWNVGBRQXSEM-XMMPIXPASA-N	534.613	3.651	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865029735	UIBSAVCSEOQVPN-XFAGBWLFSA-N	518.614	3.626	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)N2CCCCC2)cc1	1866095199	QCKGTZVJEVPJKI-QHCPKHFHSA-N	527.463	3.845	10	10	KHCE	
COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867759743	XKXSARWWARHEDE-VXKWHMMOSA-N	537.488	3.502	10	10	KHCE	
CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O	1873167233	XMJCKTZWVPNRQO-UHFFFAOYSA-N	505.018	3.796	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N21	2297345275	HUJRJTBKUJJINI-UHFFFAOYSA-N	549.428	3.528	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@@H](C)O1	2314476820	WOLYEVZDZNCMBT-OYRHEFFESA-N	593.731	3.640	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2314838007	ZUNBVOPHUWWBEA-CQSZACIVSA-N	503.671	3.860	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc(-c4ccc(S(C)(=O)=O)cc4)ns3)C2=O)cc1	2314913660	ODIIFDKHOQLVOJ-UHFFFAOYSA-N	560.704	3.847	10	10	KHCE	
COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	102472573	IGJLPKRIXHKINO-WOIBEVDJSA-N	533.610	3.785	10	10	KHCE	
Nc1cc(OCCOc2ccccc2)c(N)c2c1C(=O)c1c(N)cc(OCCOc3ccccc3)c(N)c1C2=O	206678773	UVKVAHZDTLBCSC-UHFFFAOYSA-N	540.576	3.706	10	10	KHCE	
CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)sc(C)c1-c1ccc(F)cc1	1860746894	JGRSNXRVFJBQMC-UHFFFAOYSA-N	511.531	3.972	10	10	KHCE	
CC[C@H](C)NC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC	1860764026	WUVJFNMZFBJEPM-HNNXBMFYSA-N	503.621	3.611	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015834	WVROFOASUBKGRH-FQEVSTJZSA-N	545.562	3.763	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCN(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031578	KEEYYJJNESLTLF-RUZDIDTESA-N	537.620	3.728	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865516736	LOUBWJRYKPHSKB-HSZRJFAPSA-N	505.594	3.564	10	10	KHCE	
COc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1Cl	1866806261	TTZYZTKPEHPHFE-UHFFFAOYSA-N	569.035	3.821	10	10	KHCE	
Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)n1	1868479303	ODAIPXANYTYZAW-NRFANRHFSA-N	508.538	3.630	10	10	KHCE	
CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1	1871545315	PNXMQQDNDCPHCE-UHFFFAOYSA-N	509.630	3.552	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)NCc4ccccc4Cl)cc3)CC2)cc1	1872716828	JPNJIOBWLJWLEO-UHFFFAOYSA-N	530.046	3.555	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc(F)cc1	2297345647	OWQQJCHLSMVAJK-UHFFFAOYSA-N	516.576	3.815	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)C2=O)cc1	101682937	WUOCKIPBLXCWCW-QPEQYQDCSA-N	604.138	3.667	10	10	KHCE	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(N(C)C)cc4)c(=O)n32)c1	254793607	SQLAXWGDDLVCDV-MHZLTWQESA-N	524.646	3.949	10	10	KHCE	
CC(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1	1858625745	DSLGVPCOLZXODX-UHFFFAOYSA-N	533.606	3.788	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCC(C)C)c2C(=O)OC)cc1	1860763944	SRNSPEBIWMMRDJ-UHFFFAOYSA-N	517.648	3.858	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2	1864011227	RWQLARVUQVCLQO-JOCHJYFZSA-N	506.603	3.972	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865033039	QFFLSMGHQKVEMO-QHCPKHFHSA-N	538.048	3.747	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867276854	WFPDVEYEDPRDNG-IXCJQBJRSA-N	550.590	3.965	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)CC2)cc1	1868885070	KJOSDNNLRTYONH-RDPSFJRHSA-N	549.697	3.602	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1	1871512594	ATPDOGQOJGUFEE-UHFFFAOYSA-N	506.010	3.961	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1	1873164842	VHTGRNLJVBJYAF-UHFFFAOYSA-N	558.635	3.951	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCCn3ccnc3)C2=O)cc1	1873167633	QGMLFIMVWUQUTI-UHFFFAOYSA-N	514.674	3.926	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCSCC3)nc12	2295987666	LFKSKSNMLRLHDR-UHFFFAOYSA-N	538.676	3.686	10	10	KHCE	
Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	2314399638	ALKDRLRORYUXSQ-IYBDPMFKSA-N	500.646	3.551	10	10	KHCE	
CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143360764	XTKQQHBKVDDJEU-VFOSSOBBSA-N	586.761	3.838	10	10	KHCE	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c1C	1084174142	MDANUJLPAUTWMM-WOJGMQOQSA-N	504.459	3.589	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864012168	SZAYPRWRTFVMOT-DEOSSOPVSA-N	518.520	3.940	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019971	SLSCTMCLNSJFFJ-XMMPIXPASA-N	511.582	3.619	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865031917	RADFIUKQFQFGJF-QHCPKHFHSA-N	547.011	3.808	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865032774	KOXVQYLSQGNEQP-HJPURHCSSA-N	504.587	3.808	10	10	KHCE	
CCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)c1	1865240465	AOCGJWMPIBVSPZ-VWLOTQADSA-N	517.630	3.662	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCOc3ccccc3)C2=O)cc1	1873169362	LJSWAZGRDCWUDN-UHFFFAOYSA-N	528.653	3.565	10	10	KHCE	
O=C1C(=Cc2c(Sc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2314400144	IRXVOWAWTUTOFC-AWEZNQCLSA-N	550.108	3.887	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(Br)cc(Br)c3O)SC2=S)cc1	2314828427	UHJKXUCZMIHPOT-UHFFFAOYSA-N	621.354	3.795	10	10	KHCE	
Cc1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101267019	TXNUNFHWANIXOF-KLSKMWHSSA-N	525.073	3.659	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1	102480326	FHHDTELDVCYBJK-FUXRUBMQSA-N	503.584	3.906	10	10	KHCE	
CCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110521430	CCULYTFIIGDJHS-SYANTJLKSA-N	596.800	3.896	10	10	KHCE	
CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccc(O)cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1	248045087	MAQXGJWCXYXZRE-YRIIQKNPSA-N	513.594	3.537	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(C)=O)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1	1867983665	TWUPCQPFDJPDAM-UHFFFAOYSA-N	507.038	3.801	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCN(C)C)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1	1871555627	CIQIRQOYDODIFT-UHFFFAOYSA-N	504.683	3.643	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)COCc3ccccc3)CC2)cc1	1874642299	ANHPANGXBZVUTC-GDLZYMKVSA-N	526.637	3.769	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3OC)CC2)cc1	1874643295	VOXQQLWKMHJHEL-NDEPHWFRSA-N	526.637	3.804	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccc(F)cc1	2297345587	JYQAKLFXQQGCRV-UHFFFAOYSA-N	544.586	3.701	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1	2297346123	FRHPYQSRQOLAEW-UHFFFAOYSA-N	523.379	3.834	10	10	KHCE	
O=C1C(=Cc2cccs2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1	2314603369	SFYUVWUSVSJSEB-ZDUSSCGKSA-N	545.104	3.958	10	10	KHCE	
CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	2314759632	DWXAQZWNSOCKMR-UHFFFAOYSA-N	601.541	3.630	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864011295	FYQQMBUINLIBGG-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)N2CCCCC2)cc1	1867600027	OQNGQMSEMQBABJ-XRKRLSELSA-N	618.134	3.641	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867608119	USUXCSHKOREAQT-KYJUHHDHSA-N	609.768	3.948	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccc(C)cc4)cn3CCN(C)C)CC2)cc1	1870774187	IOYUHASFFNFGBH-UHFFFAOYSA-N	520.674	3.507	10	10	KHCE	
CCOc1ccc(Nc2nc(=NCc3cccnc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1	1871531196	XNHCCUSBZMPKFH-UHFFFAOYSA-N	512.618	3.778	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1	2297460987	CFVIZLGTFGKWGO-UHFFFAOYSA-N	519.696	3.589	10	10	KHCE	
COc1c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	2297638975	NSJRFIRRJUPOHH-UHFFFAOYSA-N	533.581	3.533	10	10	KHCE	
CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N(C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N=[N+]=[N-])C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O1	198688276	IGTKSJOVOOVXQS-CVANNKCRSA-N	874.726	3.939	10	10	KHCE	
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC	526311466	CWLPVGBSCGVHMC-VWLOTQADSA-N	523.611	3.865	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084212864	HYLUSWAKLQMGOU-OAQYLSRUSA-N	715.351	3.779	10	10	KHCE	
Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1	1859008311	OQXONGOHEBQVCH-UHFFFAOYSA-N	507.490	3.737	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864019722	PTGBJUMSFQUQIV-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865029898	XZYQFYKFFJUTKS-JOCHJYFZSA-N	541.004	3.606	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035003	JBEQBCLWRGEMSO-NVQXNPDNSA-N	546.668	3.980	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cc(Cl)ccc1O	1865212917	UBKZZNZRHBCKKF-QHCPKHFHSA-N	524.021	3.622	10	10	KHCE	
CCN(CC)c1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1	1865428071	HGASWTBYHGGQLW-SANMLTNESA-N	530.673	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2)cc1	1868885067	KJOSDNNLRTYONH-HYBUGGRVSA-N	549.697	3.602	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1	1869003282	CGRKIRFDDJCWSO-QGZVFWFLSA-N	541.446	3.817	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1	2294095128	KLYTTZWDDHQWJC-UHFFFAOYSA-N	500.555	3.606	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Br)cc1	2297345174	ZGPASLBTVOAFIY-UHFFFAOYSA-N	549.428	3.658	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1O	2297578549	SFKVWKAAWRCTTB-UHFFFAOYSA-N	506.296	3.679	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC	2313556682	IEPSUVWTBKPBLJ-UHFFFAOYSA-N	503.305	3.642	10	10	KHCE	
CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	2313785331	ZCDXUVZCIUEVEW-UHFFFAOYSA-N	580.711	3.653	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12	102835841	LAVIHNQMEDBNBU-ZVHZXABRSA-N	577.732	3.911	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)CC1	103100521	FUGOTFCAGCFBLA-HSJQUHBMSA-N	577.732	3.718	10	10	KHCE	
O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N2CCCC2)cc1	247400844	NJYQMKZQZZRUDH-YRIIQKNPSA-N	585.573	3.619	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	504697720	LMCOBFDRFKDIJU-DNHJLFCISA-N	597.540	3.793	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2cccc(Cl)c2)O[C@@H](n2ccc(O)nc2=O)[C@@H](F)[C@@H]1OC(=O)c1ccccc1	1848441735	ZSOIOSPOWYBGRD-PABYOWBDSA-N	529.868	3.558	10	10	KHCE	
CCCCc1ccc(N2C[C@H](C(=O)N[C@H](CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	1862166348	DKDSAZPOGYIHRH-YIXXDRMTSA-N	520.674	3.634	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865026681	RAHJWBMFJGYGLI-KSFYIVLOSA-N	545.423	3.636	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(C(C)C)n3)CC2)cc1	1869083195	QMJWBHQWNCXPQM-QFIPXVFZSA-N	505.623	3.648	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	2314401425	YELZPWLIJRHIKH-HDICACEKSA-N	566.705	3.769	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1	15036265	BAJISAVLTAFBKS-STZFKDTASA-N	509.634	3.841	10	10	KHCE	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3O)C2=O)c1	100110852	RRQBFHGMYHHTTO-AUWJEWJLSA-N	588.139	3.885	10	10	KHCE	
CCc1nnc2sc(-c3cccc(NC(=O)/C=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12	207331047	IRMNFVVCWZBCCQ-CLFYSBASSA-N	505.560	3.812	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864016827	YFISZBIBNFIEJK-XMMPIXPASA-N	536.592	3.911	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCC[C@@H]2CO)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031699	MJBCLLYAVNEGKW-RCZVLFRGSA-N	538.604	3.937	10	10	KHCE	
C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1865033560	CRQAZXHMUINFEQ-ACJLOTCBSA-N	515.492	3.793	10	10	KHCE	
COc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC(C)C)cc1	1865633834	BIYHBSBZJWZQFE-AREMUKBSSA-N	531.657	3.908	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1	1868883547	ZGGFSKXPFMHGQZ-GAJHUEQPSA-N	556.461	3.525	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1	1871547072	VOIIKYCFRDBPPG-UHFFFAOYSA-N	503.557	3.685	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1OC	2297477431	JJBCSQYDBSTSFT-UHFFFAOYSA-N	503.558	3.938	10	10	KHCE	
COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	2313560990	OOFOAJGLQXUVTD-UHFFFAOYSA-N	525.109	3.795	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	6144809	ROIKSMYTDJGKOO-SCORJZKRSA-N	519.564	3.525	10	10	KHCE	
CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	40316691	SPPPRXRMJPYRMV-PKTZIBPZSA-N	525.509	3.724	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	100849918	JQTYJVSBEIVLDI-PCLIKHOPSA-N	607.758	3.682	10	10	KHCE	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101062442	KBHPUYVUMKPSHT-UOBPLZBXSA-N	541.676	3.746	10	10	KHCE	
COC(=O)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)c1ccccc1	1613880090	ZWILKLDQXGLHIT-IXCJQBJRSA-N	508.578	3.819	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864016198	JMNJJZQDFNDHRT-DEOSSOPVSA-N	536.592	3.818	10	10	KHCE	
CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)CC1	1865033259	VTQMNCRTPGGMSG-XMMPIXPASA-N	546.624	3.651	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865033377	YKZSDPLCFYRKOY-HXUWFJFHSA-N	531.396	3.706	10	10	KHCE	
CN(C)CCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871026849	APVWIQOSPWOGIE-UHFFFAOYSA-N	505.648	3.999	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCCOc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1	2296394035	INJOCQGNQIYTPR-UHFFFAOYSA-N	503.467	3.728	10	10	KHCE	
COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCC(C)C	4489287	QDLKAMOMZGNUTK-GIJQJNRQSA-N	522.421	3.946	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865030232	GKQZEPNZBIVBII-RUZDIDTESA-N	549.647	3.681	10	10	KHCE	
CC(C)(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866628422	MXRCBVNPALWYRP-UHFFFAOYSA-N	545.617	3.539	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCc3c[nH]c5ccccc35)n4C)CC2)cc1	1873565406	BZPRJZVTOTUHKU-UHFFFAOYSA-N	509.614	3.757	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)OC)c(OCC)c3)C2=O)c1	2313556468	AFSQTAZNDYAPDH-UHFFFAOYSA-N	591.411	3.863	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1	2328484390	LTDDWPOZXIOLGO-GDLZYMKVSA-N	515.610	3.932	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)cc3)C(=N)N21	96460890	JOFUGHLXEDYQMS-DWCAQMBTSA-N	512.613	3.934	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O	248148188	IPJUKCYBJOGWOT-DHMIZTNRSA-N	565.966	3.787	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](C)O1	256319297	RDYXRPGVNWOQLW-WIOVNTQYSA-N	765.768	3.581	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864010883	QCYGEXGYUYAJIX-QHCPKHFHSA-N	549.031	3.987	10	10	KHCE	
CC(C)OCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015408	QMMGYIFFDMKLFG-IBGZPJMESA-N	532.519	3.597	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1	1864016311	MBGYTYGGSBNTBM-QFIPXVFZSA-N	500.530	3.691	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864017181	HKSBFPUXZPACDT-QHCPKHFHSA-N	512.566	3.849	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865035083	KXIJFHNKURBSGY-QHCPKHFHSA-N	506.578	3.997	10	10	KHCE	
CCOC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)sc(C(=O)OCCOc2ccccc2)c1C	1865876511	PDWQHSRPDYLUQI-UHFFFAOYSA-N	501.513	3.838	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(OC(C)=O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514685	BVRQGYZMMGRMOB-OIDHKYIRSA-N	697.833	3.995	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3nc(CC(C)C)n4ccccc34)CC2)cc1	1868779179	FBFRLFDIKBGHFR-HHHXNRCGSA-N	555.679	3.937	10	10	KHCE	
COc1ccc(-c2csc(CCC(=O)N[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1868913596	MMZCAENQJHAHRM-IBGZPJMESA-N	508.644	3.613	10	10	KHCE	
CCCCN1C(=O)C(=CC=Cc2c(O)n(CCCC)c(=O)n(CCCC)c2=O)C(=O)N(CCCC)C1=O	2294827565	VIOJNMVMOZPCTD-UHFFFAOYSA-N	516.639	3.646	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O[C@@H](C)C(=O)O	2314932682	OGZRUIUCJVOBLY-NSHDSACASA-N	537.413	3.856	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S	39983424	XVEBQAOFKALSQI-GHVJWSGMSA-N	523.636	3.566	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(I)cc(I)c1O	103850972	FDPQNSVEAVHDHT-POHAHGRESA-N	594.143	3.572	10	10	KHCE	
CO[C@H]1O[C@H]([C@H](O)N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	169617955	DPFOYSKUEJRSRC-HQGMTDATSA-N	547.520	3.663	10	10	KHCE	
CC[C@@](C)(NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862072358	JUUVBIDZKGVVOT-GDLZYMKVSA-N	501.631	3.617	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864009329	FKNWDXDZFOAZSJ-QHCPKHFHSA-N	535.963	3.850	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864011062	YTDDPBBJIQWBKM-RUZDIDTESA-N	540.555	3.677	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015864	XJLPSBMMCTZWMZ-KRWDZBQOSA-N	538.910	3.803	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCN(C)C)[C@H]2c1ccc(O)c(O)c1	1864016061	ZJRBTXZTZRTYPE-QHCPKHFHSA-N	519.646	3.770	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864018463	LMJRKWAFBGEVBD-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC)c(OC)c1)[C@H]2c1ccc(O)c(O)c1	1864022693	PXVUTNOQCQAIHL-IBGZPJMESA-N	548.518	3.751	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865029324	KOEZLZBWDPPECM-HSZRJFAPSA-N	524.021	3.710	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccncc3)CC2)cc1	1865403507	ZFPOOSWNTRKPMG-SANMLTNESA-N	522.609	3.628	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)N2CCCCC2)cc1	1865972541	XPTUBHHCZNFFNU-ZGIBFIJWSA-N	587.673	3.932	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1866852033	VMAGCBXUABESIL-MHZLTWQESA-N	576.609	3.969	10	10	KHCE	
CCc1ccc(OCCCOc2cn(CCO)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1	1870455564	IUZFYFLKOWHZIX-UHFFFAOYSA-N	521.658	3.582	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1	2297346325	VWEMPSBRJUIYRX-UHFFFAOYSA-N	526.596	3.624	10	10	KHCE	
O=C(O)CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1	2314930695	HXPIEKAUYVNWRG-UHFFFAOYSA-N	507.387	3.849	10	10	KHCE	
COC(=O)c1ccc(C=CC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1	2331339320	XZXPSDVXCKIIJF-NDEPHWFRSA-N	513.594	3.701	10	10	KHCE	
CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S	33394191	LBTYIYFFCIJJEC-FSTGKYBXSA-N	521.712	3.887	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@@H]3c2ccc(O)c(O)c2)c1	1864010746	BKBGKFXEAWTCLK-RUZDIDTESA-N	511.582	3.674	10	10	KHCE	
NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864015359	PNEZPDHUHZYFHJ-LJQANCHMSA-N	526.471	3.965	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1	1864016276	LCCPQIMUZWBSBJ-JOCHJYFZSA-N	506.603	3.999	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(F)cc3)c2O1	1865031823	OVOLVLSSWZKHTR-XMMPIXPASA-N	542.567	3.702	10	10	KHCE	
CCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870756607	AEXQAOJVDDKLJT-UHFFFAOYSA-N	504.631	3.997	10	10	KHCE	
CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S	33394195	WJHOMHQNUZMRFP-XQNSMLJCSA-N	521.712	3.889	10	10	KHCE	
COc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	101346614	YIHGFGSMKBPTJM-FYJGNVAPSA-N	530.924	3.724	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	1084085773	CZOOMVRALINZBX-QHCPKHFHSA-N	556.482	3.635	10	10	KHCE	
NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3Cl)c2O1	1864015091	JKEQYQHDGLJUOC-QGZVFWFLSA-N	520.895	3.988	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C(=O)OCC)CC1)[C@@H]2c1ccc(O)c(O)c1	1865031344	FDVSUZDZZAQNCX-HSZRJFAPSA-N	546.624	3.868	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N3CCCCC3)CC1)=C(N)O2	1865038678	XIOHHVNGRNNXFE-DEOSSOPVSA-N	523.678	3.684	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868990047	YRYYYCIIEHYCPE-XMMPIXPASA-N	507.610	3.966	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1	1871544629	UATUQHGOEDXITB-UHFFFAOYSA-N	503.557	3.685	10	10	KHCE	
CCOC(=O)c1ccc(CN2C(=O)C(NCCOC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873165202	ICOOIPWTHJWYMB-UHFFFAOYSA-N	501.583	3.787	10	10	KHCE	
Cc1ccc(C)c(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	2297345353	PGTZLICJAVCOCF-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1Cl	2297345808	FDIAGOXWDWQFKC-UHFFFAOYSA-N	547.014	3.968	10	10	KHCE	
CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21	8596659	XJZISEIPTZEARA-UHFFFAOYSA-N	566.724	3.946	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=N)N21	20206667	BBKXDNROFAFRHN-VHARHKTESA-N	512.613	3.773	10	10	KHCE	
COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)cc1	1864015214	MMKJFCGUSANLNM-IBGZPJMESA-N	542.470	3.915	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018795	QXJKRJQLFIPVBQ-QFIPXVFZSA-N	545.011	3.933	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864019543	LONZBQNAVGPPOS-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2	1865029141	HCJGPHQGOGZJFS-XMMPIXPASA-N	546.624	3.605	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029457	NULRTXLIKMXXLL-XVTZWQNCSA-N	534.613	3.575	10	10	KHCE	
CC(=O)CN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)CC1	1868565175	UXAIHHHJXLFRDW-UHFFFAOYSA-N	518.577	3.769	10	10	KHCE	
CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1872720654	NIAXZVPSSZXJPO-UHFFFAOYSA-N	525.627	3.622	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21	1873551890	BVBZVVSAOSKMLT-OYRHEFFESA-N	506.651	3.816	10	10	KHCE	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@@H]3C=Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1	2296676487	XIGLDBCHPWVDID-UBFVSLLYSA-N	521.525	3.899	10	10	KHCE	
COc1cccc(C=C2SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1	2296796732	PZQJQLZXQGTVEI-UHFFFAOYSA-N	508.625	3.723	10	10	KHCE	
COc1ccc(OCCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1	2297345323	MMIFZKHFHJYYAB-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	2313682636	HTQRLGCRLGSERF-UHFFFAOYSA-N	523.571	3.744	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC	206710453	VNCZHHOYOXNTJY-HKWRFOASSA-N	508.662	3.877	10	10	KHCE	
COC(=O)[C@@H](CC(C)C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	1616129153	QHRZREPJQBQDFC-AJTFRIOCSA-N	502.615	3.882	10	10	KHCE	
CCC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984756	UPALLRYEKDFUSH-KCWPFWIISA-N	510.654	3.680	10	10	KHCE	
COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1	1864009391	GLVVLESCPVCFFZ-OYLFLEFRSA-N	513.554	3.568	10	10	KHCE	
COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864010991	XVODMCWJCSIUIQ-OWJWWREXSA-N	522.602	3.848	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866605406	ZQJRHMSRFDYWPA-XMMPIXPASA-N	561.550	3.998	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21	1866849344	DDRZSSRVMHCFIQ-VWLOTQADSA-N	534.572	3.749	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1S(C)(=O)=O	1866892743	VLRNHZGTXFXZSY-HHHXNRCGSA-N	568.607	3.984	10	10	KHCE	
CC[C@@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868893235	CKHBCAOEWLPEFG-NOZRDPDXSA-N	563.724	3.992	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873426262	RXVZEYPKODYPHG-UHFFFAOYSA-N	529.622	3.655	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC(=S)N1CCS(=O)(=O)O	2314475785	CEDGYPCQQXLDKM-UHFFFAOYSA-N	618.784	3.803	10	10	KHCE	
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641714	TUBBWXLSLPBXSN-RXPSNABZSA-N	500.617	3.996	10	10	KHCE	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(Cl)ccc3OC)c3ccco3)CC2)cc1	38619436	KJGGJTJEFMFTTM-OAQYLSRUSA-N	506.024	3.792	10	10	KHCE	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1C	101062981	OHNNRVDXQFCSDY-RONKMWSCSA-N	541.676	3.800	10	10	KHCE	
CCc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	1860826154	BMAKCZMOODWLSQ-WBOBJJNYSA-N	509.609	3.669	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864011064	YTDDPBBJIQWBKM-VWLOTQADSA-N	540.555	3.677	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865030933	VLYFTSCUASBEST-XXBNENTESA-N	539.032	3.626	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865335546	FEPOYADDOSBRDI-JOCHJYFZSA-N	507.660	3.795	10	10	KHCE	
CCOc1ccccc1NC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870337635	JLTPWSURQSGPGL-UHFFFAOYSA-N	520.630	3.615	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccn4)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1	1871693550	ZUYHZTXVYBUABW-UHFFFAOYSA-N	512.618	3.696	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2cccc(C(=O)OC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873422369	TWAWNNICMGQFIY-UHFFFAOYSA-N	528.609	3.987	10	10	KHCE	
CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2294095094	IWEMMRCBEZZIPO-UHFFFAOYSA-N	507.724	3.711	10	10	KHCE	
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c(O)nc(O)n(-c2ccc(Cl)cc2)c1=O	2297452701	RBBKXJMLIAXQCA-UHFFFAOYSA-N	548.724	3.708	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	2313682399	BRMKXVJWWXGRAE-UHFFFAOYSA-N	558.979	3.722	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N(CCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	2314833969	XUBJXYXUEORSIH-QGZVFWFLSA-N	561.037	3.731	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Cc4cc(F)ccc4F)c([N+](=O)[O-])c3)CC2)cc1	101665552	QLSOMKZOBPDRSL-UHFFFAOYSA-N	531.537	3.818	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	110557605	XQXLCZNJYQQTTH-ZHNJOBQTSA-N	616.812	3.958	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	207328324	YPOAGUSEMNBDIL-VZMFNRANSA-N	548.708	3.794	10	10	KHCE	
CC[C@](C)(NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866922844	LRUOQGTZEFGFNF-LJAQVGFWSA-N	523.549	3.589	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3CCN(C)C)CC2)cc1	1870490666	UYFYBAPCDNOJCS-UHFFFAOYSA-N	504.675	3.937	10	10	KHCE	
CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	2297298430	UWBUNOWPUKPFGZ-UHFFFAOYSA-N	506.296	3.673	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1	2297345698	SVGYUUABEQASMF-UHFFFAOYSA-N	540.623	3.952	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	101511676	AHZCHYXQQHUMLW-MOHJPFBDSA-N	606.730	3.747	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)[C@H](c2ccc3c(c2)OCO3)C1	103038233	DGUCFCVXGIAACC-SANMLTNESA-N	578.069	3.560	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864007210	HUOVTONTQFEXNO-JOCHJYFZSA-N	512.994	3.871	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864010554	NPFUPPGOIKVCRO-HSZRJFAPSA-N	549.031	3.987	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864013598	DJFJYKFHZPNGAM-HSZRJFAPSA-N	516.602	3.587	10	10	KHCE	
COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1	1864022984	SZKYRZMPKRBHPV-DEOSSOPVSA-N	524.577	3.991	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3F)CC1)=C(N)O2	1865025541	BMXLSRLSOSTDHH-SANMLTNESA-N	541.583	3.774	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)[C@H]2c1ccc(O)c(O)c1	1865031326	DXCDMBOHCKMHBZ-OFNKIYASSA-N	546.624	3.868	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865033224	VAIZGDVZGRPQGR-AREMUKBSSA-N	540.620	3.870	10	10	KHCE	
CCc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	2297345062	NLZMZWPLTYWRCN-UHFFFAOYSA-N	512.613	3.636	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	2313682954	OJTKMWPUGXPANK-UHFFFAOYSA-N	535.582	3.543	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314829276	UYWATLZDBWSNON-KPFFTGBYSA-N	530.693	3.820	10	10	KHCE	
CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3)CC2)SC1=S	33450749	YJJXBPOPWPXTBS-HINJULBWSA-N	507.685	3.892	10	10	KHCE	
CC[C@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O	102849083	WVVHHZBWPCEYNW-CLXYIWAZSA-N	501.033	3.932	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2	1864019450	ZAOHIVBSMFVRNG-DEOSSOPVSA-N	511.582	3.869	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1	1864021679	FKHKUQWIGXEWNX-MRXNPFEDSA-N	508.522	3.838	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1	1864022685	PVTIOZNEGPXBIQ-HSZRJFAPSA-N	510.550	3.932	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865027386	XJWVBAYCVANPMS-CYFREDJKSA-N	539.032	3.763	10	10	KHCE	
C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C1	1865033489	ASACCNXRUIKXMH-KSMMKXTCSA-N	529.519	3.896	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867800215	RNPZKZFKAOTVKN-RPLLCQBOSA-N	570.760	3.922	10	10	KHCE	
CCOC(=O)CN(Cc1ccccc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(CCOC)n1	1867955560	QTMZSBQRHGLCJQ-UHFFFAOYSA-N	519.646	3.570	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868625527	UOQAVUNSLXOPGW-HHHXNRCGSA-N	563.120	3.526	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3nc(C4CC4)n4ccccc34)CC2)cc1	1868778977	ZIRFVBJVJGDAEH-AREMUKBSSA-N	539.636	3.616	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1	1869135094	OHGKZJIEUKAOFT-LJAQVGFWSA-N	525.657	3.543	10	10	KHCE	
CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1	2297345606	LHYTXLCQIBBELX-UHFFFAOYSA-N	514.585	3.771	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1	2297346334	WUUKXIPPMLARTH-UHFFFAOYSA-N	537.392	3.788	10	10	KHCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	2314829294	WQRKKORVFUHUQN-FQEVSTJZSA-N	577.725	3.826	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	100310306	YBJNRSZNDOOYKC-NKFKGCMQSA-N	592.703	3.752	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	100850984	SSHTVJTZDFOKSW-TXSSHTDISA-N	602.742	3.820	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)n2)cc1	102271455	BJGAFYPOSUJUEA-PTNGSMBKSA-N	536.707	3.900	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)n2)cc1	102271481	PLXPVKVUMMWZFJ-ATVHPVEESA-N	548.668	3.978	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(CC(C)C)C3=O)CC2)cc1	102824205	KHHKIFSNGPYXQO-CJLVFECKSA-N	535.695	3.887	10	10	KHCE	
CCCOc1cccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)c1	1865261693	QDCLZYVCPQMLCW-VWLOTQADSA-N	517.630	3.569	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccn1	1865381870	HJLZJJPVWANJBK-FQEVSTJZSA-N	542.562	3.759	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866878423	KRLHFICAHGYNDP-YVGXBJCXSA-N	509.562	3.739	10	10	KHCE	
Cc1cc(C(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc(S(N)(=O)=O)c1	1867236158	CNOHQNFHPFZKBG-AREMUKBSSA-N	553.596	3.528	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)C(C)C)CC2)cc1	1868687596	GZWLOVCIYANXSM-SVEHJYQDSA-N	521.658	3.840	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCCc3ccc4c(c3)OCCO4)CC2)cc1	1868730467	KVHPRDQLKZEJPF-NDEPHWFRSA-N	543.664	3.865	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1	1868764031	GBPAZGHTBLVOAH-KMRXNPHXSA-N	519.617	3.795	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)c(OC)c1	2294265311	NRVBWTQLTILKBK-UHFFFAOYSA-N	519.579	3.949	10	10	KHCE	
COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2297320627	ONURFGGOQOWBJE-UHFFFAOYSA-N	508.625	3.723	10	10	KHCE	
COC(=O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	2313559014	PCSMBCLSORKMBS-UHFFFAOYSA-N	572.206	3.734	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccc(C)cc1	101395051	MJMXVTMZGMPJTK-OQZKWKKUSA-N	542.639	3.863	10	10	KHCE	
COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	104563210	KDXFZVBTEGLMDK-FNKNWIJASA-N	542.639	3.943	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2	1864018430	KZMDMZLNYOOMLO-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865028632	WWEWWLJCUQEWHH-SOHPYSCWSA-N	510.978	3.576	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865035704	ZPIFAAAJIAFCDP-MLYOZINFSA-N	543.668	3.819	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1[N+](=O)[O-]	1865619405	PWQAIFULHYOSQJ-XMMPIXPASA-N	546.628	3.816	10	10	KHCE	
CC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867171016	ITIBVLVPCFUJFV-FQEVSTJZSA-N	507.550	3.838	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868619301	ZRSHVQDFXRATSH-RUZDIDTESA-N	563.120	3.526	10	10	KHCE	
CCC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869069068	OSAMOGYLGGPHJD-IBGZPJMESA-N	503.525	3.609	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3Cc3ccc(C)cc3)CC2)cc1	1870481047	PMXIGMSELNRYAG-UHFFFAOYSA-N	519.642	3.866	10	10	KHCE	
COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1	1873165991	ZNKOTOVMMJDRCO-RUZDIDTESA-N	513.594	3.929	10	10	KHCE	
CCN(CC)c1ccc(C=c2sc3nc(-c4ccc(I)cc4)nn3c2=O)cc1	2326238710	VMPPSYYZAOZJEW-UHFFFAOYSA-N	502.381	3.817	10	10	KHCE	
COc1c2c(c(O)c3c1[C@H](OC(C)=O)Cc1cc4c(c(O)c1-3)C(=O)O[C@H](C)C4)C(=O)c1cccc(O)c1C2=O	14285493	KPZZVJIBEBNPBQ-QLJPJBMISA-N	530.485	3.516	10	10	KHCE	biogenic
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1F	96460338	PXOSTKYJYLOSIQ-SVBOREBNSA-N	516.576	3.815	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	100885833	VSJUYQRDEQYDAR-LTGZKZEYSA-N	576.704	3.655	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	1084234070	DAQIPXSMDBEFHF-SANMLTNESA-N	535.666	3.662	10	10	KHCE	
CCc1cc(C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1	1861906589	AIAOBTVIRWTWTE-GDLZYMKVSA-N	503.647	3.750	10	10	KHCE	
NC1=C(C(=O)N2CCC(O)CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031148	ZUXGEECVPJFQIH-DEOSSOPVSA-N	524.577	3.628	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1F	1865066211	SCOWHTZYCRUUEL-XMMPIXPASA-N	505.594	3.793	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(O)c(OC)c1	1865477604	JNLOFKXSNAFOMD-RUZDIDTESA-N	547.656	3.622	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865606736	PCVXGMLWUQFOOK-RUZDIDTESA-N	524.625	3.815	10	10	KHCE	
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CCCC2	1865926855	GFGYOWIOAYHUJH-QGZVFWFLSA-N	500.617	3.851	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccc4nc(O)c(C)cc4c3)CC2)cc1	1868815605	QGDHKNRERKBYDE-LJAQVGFWSA-N	538.648	3.876	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3ccccc3F)C2=O)cc1	1873169209	FKLJCRWIOPCLGF-UHFFFAOYSA-N	516.617	3.825	10	10	KHCE	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	2296147296	UESXRTPKKXHHLM-UHFFFAOYSA-N	541.585	3.640	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1	2328603554	WQFUWTZGSUWPKP-HHHXNRCGSA-N	514.582	3.693	10	10	KHCE	
COCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S	2399443	CWMWXNHXPLMHKA-RCCKNPSSSA-N	506.653	3.803	10	10	KHCE	
CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110523367	VZQKSKXGVXQMBE-UCHNXLLDSA-N	567.712	3.894	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1	161667542	HGBZBLPEFVMINN-WLVIAGLRSA-N	772.638	3.522	10	10	KHCE	
CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]21	248380613	QQYFXVRSFQQXMY-JWXBCOAMSA-N	529.387	3.677	10	10	KHCE	
CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865033877	JPCVUGIQYVLVNT-SFHVURJKSA-N	502.493	3.924	10	10	KHCE	
O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866589528	WPAJAKHZSHHCID-CPJSRVTESA-N	576.696	3.644	10	10	KHCE	
C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866624146	ATWUEZZIMYVCRN-INIZCTEOSA-N	566.035	3.802	10	10	KHCE	
CSCC[C@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866898096	SDQLJWNVRTUEMP-QHCPKHFHSA-N	526.618	3.919	10	10	KHCE	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867897770	HMMHTBQCUKIVKN-HXOBKFHXSA-N	502.015	3.776	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCCCN(C)C)C2=O)cc1	1873167428	GZKWAMWOTDHMCF-UHFFFAOYSA-N	505.707	3.981	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	2313558429	AHHACYCEQDKXNN-UHFFFAOYSA-N	535.322	3.595	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	2314399637	ALKDRLRORYUXSQ-HZPDHXFCSA-N	500.646	3.551	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nccs2)SC1=S	101024084	KJHSYKATCHHKCZ-WJDWOHSUSA-N	536.613	3.915	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101911399	XLSWCVWJTJYQBF-BOEMKPLCSA-N	560.719	3.829	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084355563	QJYAFDJVDGAHHZ-DEOSSOPVSA-N	584.492	3.552	10	10	KHCE	
COc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	1084483350	XGYNSWONXZFFPI-POHAHGRESA-N	608.170	3.875	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864019876	RACZSURKPYADLU-AREMUKBSSA-N	540.620	3.967	10	10	KHCE	
CC[C@@H](C)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867584660	YIPRJVOHSKPYMF-ZBLYBZFDSA-N	561.727	3.999	10	10	KHCE	
CCOc1c(I)cc(C=C2SC(=O)NC2=O)cc1I	2297559144	UEIFSEMILBGLEJ-UHFFFAOYSA-N	501.083	3.618	10	10	KHCE	
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3O)C2=O)c1	2313510567	RRQBFHGMYHHTTO-UHFFFAOYSA-N	588.139	3.885	10	10	KHCE	
Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1	59303475	RJULPTYVOULQJT-MTJSOVHGSA-N	503.536	3.630	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(OC)cc4)c(Cl)c3)C(=N)N21	104561472	HXIPXFNBIAEXBJ-MGGLCJOQSA-N	532.987	3.579	10	10	KHCE	
CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110529687	LHEPFTOVNUSVKZ-ZVSVJSTQSA-N	625.842	3.539	10	10	KHCE	
CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865031966	SEZGRODXPBCHBL-FQEVSTJZSA-N	543.546	3.550	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(-c4cc(F)ccc4OC)n(C)n3)CC2)cc1	1868945081	MVJIZMADHOLUPS-MUUNZHRXSA-N	571.653	3.933	10	10	KHCE	
CCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873571368	KBIJNWGQVQFITF-UHFFFAOYSA-N	500.603	3.725	10	10	KHCE	
O=C(C[C@@H]1CCN2C[C@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O)NCc1ccccn1	1615840503	WQQCKUYRTNEYAM-LOSJGSFVSA-N	540.664	3.909	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1	1772719841	CPFGELDYLYVTQE-JOCHJYFZSA-N	526.456	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(Br)c3)CC2)cc1	1862039681	UGWBLIMVSKYITM-OAQYLSRUSA-N	506.466	3.658	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2	1864017990	ZYNFPKXKJBAUGF-RUZDIDTESA-N	542.592	3.744	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865025703	BZRFSODWIYVRTJ-SANMLTNESA-N	544.583	3.506	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644594	HEUFCJKZBFUWFD-SXOMAYOGSA-N	539.746	3.906	10	10	KHCE	
COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1	2297065318	VXNLBGIIEMZSIZ-UHFFFAOYSA-N	519.564	3.525	10	10	KHCE	
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	2313559815	VKUMTJXOBKDYOQ-UHFFFAOYSA-N	599.175	3.662	10	10	KHCE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	2314650449	HMCBIYSAIDPERE-HNNXBMFYSA-N	579.659	3.723	10	10	KHCE	
CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O	33812559	CGNJSWVTHCTQFX-KQWNVCNZSA-N	521.712	3.982	10	10	KHCE	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	110557155	PUYBDDMTROTDPF-OLCUMFGGSA-N	614.796	3.712	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)O	1084546600	DQAPCAFVYZROOG-AUWJEWJLSA-N	615.174	3.582	10	10	KHCE	
CCC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861971488	ITSINTIPSDNXNR-MHZLTWQESA-N	510.654	3.680	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864017791	VIMZTWQTYBWGAB-HXUWFJFHSA-N	532.428	3.525	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1cc(OC)ccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865236532	FOAUARKFXVOBAT-RUZDIDTESA-N	547.656	3.535	10	10	KHCE	
CCC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867639216	MHWKFOSLUNAYES-SXOMAYOGSA-N	507.679	3.953	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC	2314831739	QYHOIXIRNOIZNH-UHFFFAOYSA-N	549.696	3.752	10	10	KHCE	
O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S	2314842423	VCLYNIHNROEYHZ-MRXNPFEDSA-N	534.999	3.877	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@@H](CC)C(=O)O	2314936518	ZAESRGYCCAEHMW-INIZCTEOSA-N	531.568	3.782	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Br)cc1	104558240	ZGPASLBTVOAFIY-MRDWGVERSA-N	549.428	3.658	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C[C@@H](C)O1	150448903	KZXUMNHZRDCHPZ-PSKUFGJISA-N	634.784	3.505	10	10	KHCE	
CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526313390	QKGDHFPXUQZGAZ-DEOSSOPVSA-N	510.568	3.981	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)COc3ccc(C)c(C)c3)CC2)cc1	1862195296	OCPRITKMNCDUGZ-NDEPHWFRSA-N	519.617	3.906	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864023264	WTBJUAQREYBJSJ-GOSISDBHSA-N	518.492	3.743	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865663975	XNALMMHXCKWRPG-DEOSSOPVSA-N	501.631	3.826	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c2nccn2C)cc1	1865877415	FUYIZFIOCHHASS-AREMUKBSSA-N	507.594	3.844	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866903779	XGULFYNLCRIMKD-HXUWFJFHSA-N	566.658	3.914	10	10	KHCE	
COCCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873165448	OTGKZNWGGCFRMA-UHFFFAOYSA-N	501.583	3.787	10	10	KHCE	
CCOc1cc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(I)c1OCC(=O)O	2296908794	KFDWUUAFMGLWFF-UHFFFAOYSA-N	551.293	3.868	10	10	KHCE	
O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S	101965207	VCLYNIHNROEYHZ-GYXHFJGISA-N	534.999	3.877	10	10	KHCE	
CN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2CCCO)c2cc(Br)ccc21	103600334	ATXMEXGHVJNVRU-RVDMUPIBSA-N	566.193	3.663	10	10	KHCE	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(N4CCOCC4)cc3)c2=O)=N1	108445352	PVKPFMQVQXNIRY-OKGRRGNVSA-N	542.686	3.772	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864013338	WGMYXUFPWHBNTL-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
CN(C)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864014385	TYSQJDWHTUNXGU-XMMPIXPASA-N	525.609	3.713	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864019632	OAAAXLYHZOPQMS-NRFANRHFSA-N	512.994	3.735	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1	1865031799	OFIUGKWISWRRTO-QGZVFWFLSA-N	536.894	3.509	10	10	KHCE	
O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1	2314930280	AFXLSZIZDOZDQL-UHFFFAOYSA-N	507.387	3.849	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1	33869020	GBTIDBNJHMJRCZ-XDJHFCHBSA-N	512.657	3.618	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1F	104563468	LOAKRJZGFQAGHE-JRTRTLMXSA-N	544.586	3.843	10	10	KHCE	
CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	110526955	FQNSYACHSACPMI-JCMHNJIXSA-N	569.684	3.580	10	10	KHCE	
CCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(N(C)C)cc3)N2N1	588225985	DWCFYLVGQAFQHW-NRFANRHFSA-N	500.466	3.582	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1	1861954590	HPDPJCLUHIOMTM-FFFSVGICSA-N	514.582	3.693	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864011712	KHGFWERDWDXQKJ-JOCHJYFZSA-N	512.994	3.542	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864012178	TWWXSNQWYQBRPG-RUZDIDTESA-N	540.555	3.677	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1	1864016497	QLSUQJWXPSQMRM-QFIPXVFZSA-N	505.619	3.524	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864017520	OEDOZWXZMSQXAQ-IJJZTBHNSA-N	542.636	3.740	10	10	KHCE	
CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868881157	LNRCSDAHJQKGPU-CUBQBAPOSA-N	505.619	3.542	10	10	KHCE	
CCC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869010829	LCNLUBKMNTYPBW-SANMLTNESA-N	516.642	3.710	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4ccc(C)cc4)cn3C[C@H](C)O)CC2)cc1	1870777673	SSBUUYNXVILETH-DEOSSOPVSA-N	521.658	3.716	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(C3CCCC3)C2=O)cc1	1873164471	CZBZFRXJTGRHBR-UHFFFAOYSA-N	518.639	3.554	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2297460062	PAEDGAIPTINZSC-KRWDZBQOSA-N	533.679	3.667	10	10	KHCE	
COC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S	2314769822	VRRRLWIETDBERE-INIZCTEOSA-N	503.399	3.911	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(OC)c4)c(Cl)c3)C(=N)N21	104561532	XOXMHZAILFXYOK-BVDVPRQSSA-N	549.030	3.818	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@@H]1COc3ccccc3O1)[C@@H]2c1ccc(O)c(O)c1	1864016650	UTUVQPMBOOPNRN-NTKDMRAZSA-N	540.576	3.632	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865026263	LEALDPFJMWJRJJ-VWLOTQADSA-N	528.540	3.910	10	10	KHCE	
CC(C)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867433025	BSUQUBJZIKLWOU-AREMUKBSSA-N	547.700	3.609	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3csc(-c4ccncc4)n3)C(C)C)CC2)cc1	1868906860	WAZRCGZYWRRADR-VWLOTQADSA-N	507.660	3.636	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2040466646	HZMOOUCHJNGWFI-UHFFFAOYSA-N	505.669	3.546	10	10	KHCE	
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	2294130847	KSJNWNJAWAOCNB-UHFFFAOYSA-N	552.175	3.904	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3cc(I)c(OCC)c(OC)c3)C(=O)NC2=S)cc1	2294204878	NVRQPFBIIWTKTD-UHFFFAOYSA-N	552.390	3.929	10	10	KHCE	
CC(C)COC(=O)CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)OCC(C)C)C2=O)SC1=S	2295914075	KTVAEVWOBVNVBU-UHFFFAOYSA-N	546.758	3.877	10	10	KHCE	
CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)c1	2297345519	DQOVRFMUASJRJP-UHFFFAOYSA-N	514.585	3.771	10	10	KHCE	
COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	2313559712	NTZUAYULRIYKEW-UHFFFAOYSA-N	525.109	3.795	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=N)N21	96460375	BBKXDNROFAFRHN-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CCCCN1C(=O)C(=C/C=C\C2C(=O)N(CCCC)C(=O)N(CCCC)C2=O)C(=O)N(CCCC)C1=O	101410056	ATJCYSYHWGQAET-YPKPFQOOSA-N	516.639	3.867	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864013899	IKYWLLWMFUZBLP-VWLOTQADSA-N	527.625	3.762	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864016092	HLLWCTOWYYUKKU-HSZRJFAPSA-N	530.556	3.606	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865035082	KXIJFHNKURBSGY-HSZRJFAPSA-N	506.578	3.997	10	10	KHCE	
COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cc(OC)c(OC)cc4C(=O)O)cc3C2=O)cc1	1865883911	ADLIXPWWQXGNAS-UHFFFAOYSA-N	504.495	3.502	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc21	1866863058	OXUUHYNXPKJCAZ-RBTNQOKQSA-N	573.605	3.887	10	10	KHCE	
CCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868756094	UTUSEVYEEPJGBU-RUZDIDTESA-N	503.647	3.960	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4c(C)cccc4C)cc3)C(=N)N21	2297345561	HQKSVCXNLCZWLU-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
O=C(O)CCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	3742059	NNRNOBWREPANOV-UHFFFAOYSA-N	500.511	3.871	10	10	KHCE	
CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(C)CC2)SC1=S	33812594	RPPMVEZODOUWEU-PGMHBOJBSA-N	501.722	3.972	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c(C)c1	1083891802	HFJRKPLYBONVSR-WQRHYEAKSA-N	504.459	3.589	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864012596	DRNXNLVIPJACMC-DEOSSOPVSA-N	520.630	3.577	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012741	IFJWRQBHHHOLRU-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(OC)cc1)=C(N)O2	1864022779	YCCRXKHYLNYJFV-QHCPKHFHSA-N	506.603	3.575	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865027593	JSCVMOQSCPVGOX-UZUQRXQVSA-N	525.005	3.703	10	10	KHCE	
CC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867261808	WWSFXUKBRGVQAA-FQEVSTJZSA-N	508.534	3.577	10	10	KHCE	
COc1cc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC	1867451117	NGNVONMDLVVXNZ-NRFANRHFSA-N	577.520	3.614	10	10	KHCE	
COc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2cccc(Cl)c2)cc1	1869970985	WKBMRWLBSNDAFQ-UHFFFAOYSA-N	519.005	3.939	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	2296547616	MGPRMFCCTDWQIY-FQEVSTJZSA-N	524.668	3.776	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1cccc(C)c1	2297345589	KFTCNNZZOUZGRI-UHFFFAOYSA-N	526.596	3.624	10	10	KHCE	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(I)cc1	1084261850	SMUKLGQTUJCHRV-ZROIWOOFSA-N	513.154	3.885	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1	1861948140	AAZRHPCNOPZBEX-NHTJFMIFSA-N	516.461	3.721	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864007108	GGLQWBNXYKWBGM-FQEVSTJZSA-N	519.385	3.746	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864010898	BRRORVWDNGOUFD-KSFYIVLOSA-N	545.423	3.948	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)=C(N)O2	1865036770	JMBMKOFTEHGWBA-SANMLTNESA-N	545.684	3.860	10	10	KHCE	
CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc2c1CCN(Cc1ccccc1)C2	1865768307	PMBRFCHQXSCWHM-UHFFFAOYSA-N	503.671	3.672	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867219989	MPGQRSDKKZCPPJ-RUZDIDTESA-N	554.647	3.760	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)C(C)C)CC2)cc1	1868687595	GZWLOVCIYANXSM-IRPSRAIASA-N	521.658	3.840	10	10	KHCE	
CC[C@@](C)(NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868923478	JFFQQWYPTGGOBM-SSEXGKCCSA-N	553.704	3.851	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(NCCCn3ccnc3)nc12	2040467108	XSQJJAUCPBJMBY-UHFFFAOYSA-N	540.671	3.548	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	2313564870	COHSFENEXDIMGM-UHFFFAOYSA-N	533.562	3.721	10	10	KHCE	
Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	100850889	LVQSHEUXPZQIDS-PUMYGXPMSA-N	543.717	3.851	10	10	KHCE	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1	248381064	SAAONVVZCWINEG-TVQWTUMOSA-N	579.403	3.579	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1	1864008761	RMINMJDEJUEXIN-HXUWFJFHSA-N	513.392	3.965	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC24C[C@H]5C[C@@H](CC(O)(C5)C2)C4)[C@H]3c2ccc(O)c(O)c2)cc1	1864009076	YUYQJEBXKCFAKE-BRHMYQHZSA-N	542.636	3.795	10	10	KHCE	
CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866879252	OBCAFSACWUKGNP-HOYKHHGWSA-N	541.629	3.692	10	10	KHCE	
CC[C@](C)(NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867264294	USDQXEMEQAMXCY-PMERELPUSA-N	522.561	3.967	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	2297346056	ZMWBDFIFUATETN-UHFFFAOYSA-N	512.613	3.718	10	10	KHCE	
Cc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(CC(C)C)SC5=NC4=O)cc3)nc2s1	20332110	FLUYWZWOFJYXEI-GMFWLFBISA-N	507.601	3.704	10	10	KHCE	
CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S	33812469	AXQHPTXQLUPKHO-STZFKDTASA-N	511.648	3.642	10	10	KHCE	
O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1	95914547	VLFKNLZNDSEVBZ-HYCLPLBISA-N	730.631	3.977	10	10	KHCE	endogenous,in-man
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864013228	TYIUKBKHEMYBTD-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2	1865030049	BATJRSYLJBPQNN-XMMPIXPASA-N	514.582	3.535	10	10	KHCE	
CSCC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867722083	IFUSXVKVDVFELJ-KAYWLYCHSA-N	540.730	3.873	10	10	KHCE	
CCCC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868966546	XJHHNCXJMCNVSE-XMMPIXPASA-N	506.603	3.996	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)CC1	1873162248	MLINHASROFITHE-UHFFFAOYSA-N	535.689	3.726	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1	2296696358	JLTADXPIGIGQJP-UHFFFAOYSA-N	519.696	3.935	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)cc4C)N=C3C)cc2)nc(OC)n1	2297451666	ZBGOMRBIQQCANZ-UHFFFAOYSA-N	522.587	3.630	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	20207891	ZMWBDFIFUATETN-DWCAQMBTSA-N	512.613	3.718	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1	33775662	OITJCTUFFUSGHR-HMMYKYKNSA-N	526.684	3.926	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)cc2)C[C@@H](C)O1	103817137	HMUBCAIHRVVUDL-LCKGJJHNSA-N	563.698	3.854	10	10	KHCE	
CCc1ccc(OCCCC(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Br)c1	1862218909	JJSMXYGRXHDDAO-UHFFFAOYSA-N	518.452	3.644	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865029028	DJLIBQWTRNOQNU-JOCHJYFZSA-N	525.005	3.567	10	10	KHCE	
CCc1ccccc1NC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870749006	XBFICEVQRWZSDE-UHFFFAOYSA-N	504.631	3.779	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(OC)c(OC)c5)ncnc4n3C)CC2)cc1	1875198610	IDMCKKTZSTVQAL-UHFFFAOYSA-N	516.602	3.569	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cccc(C)c1C	2297345357	PKGLGVMNZMDGDV-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S	33925079	PWYYKQBLNALOQW-XMHGGMMESA-N	504.678	3.858	10	10	KHCE	
CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S	101740032	DNBJFOKRWJFJFG-INOOMSPWSA-N	540.663	3.820	10	10	KHCE	
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526286157	INYIHZZCVRREJS-HSZRJFAPSA-N	505.479	3.737	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccc(O)c(O)c1	1864016851	YQKHQKBUEZGIBT-KNQAVFIVSA-N	504.587	3.607	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864016948	AQZARVVLXYBTQV-HSZRJFAPSA-N	536.629	3.863	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864020395	XZXOZQQTLXJFPN-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
CCCCOc1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC	1867681196	XDVIWQGRMOQOCH-SVBPBHIXSA-N	554.732	3.764	10	10	KHCE	
CCCNC(=O)COc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870682616	ZGFVZZFNQBFNMY-UHFFFAOYSA-N	522.690	3.975	10	10	KHCE	
Cc1ccccc1Cn1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c2ccccc21	2296055649	WMZFXUUDHPRCCC-UHFFFAOYSA-N	526.622	3.866	10	10	KHCE	
CC(C)OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O	2296731169	AFPITTKUJVDZFQ-UHFFFAOYSA-N	518.661	3.768	10	10	KHCE	
COc1ccccc1C=C1SC(=S)N(CCC(=O)NCCNC(=O)CCN2C(=O)C(=Cc3ccccc3OC)SC2=S)C1=O	2297319290	ZYFPZFAKRURCHV-UHFFFAOYSA-N	670.860	3.819	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(I)c3OC)C2=O)cc1	2313548091	LIZLMFUWERWLKU-UHFFFAOYSA-N	618.165	3.970	10	10	KHCE	
COC(=O)c1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccc(C(=O)O)cc2)N=C1C	101573661	WMWOCCAVKVYTSX-JCMHNJIXSA-N	513.506	3.995	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	103920201	BRMKXVJWWXGRAE-OEAKJJBVSA-N	558.979	3.722	10	10	KHCE	
CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(OC)cc4)c(OC)c3)C(=N)N12	104557679	IXYQXHRRPLZKRF-GESHDMKESA-N	532.625	3.801	10	10	KHCE	
NC(=O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	1858590494	TUYMHBJIBJCPAP-YBCYLVPRSA-N	530.027	3.904	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864014661	ZRVNLGUSWDROFD-QHCPKHFHSA-N	506.603	3.922	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865124001	YNNQHSVWXFQAMU-VWLOTQADSA-N	531.657	3.859	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3c(F)cccc3Cl)CC2)cc1	1865144498	CATUBBXJSYYQTP-JOCHJYFZSA-N	511.985	3.573	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccccc1C(=O)O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865437911	KGNNVZRCGBHXRO-DEOSSOPVSA-N	545.640	3.606	10	10	KHCE	
COCCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870989656	OLBJHSFMIAUJPZ-SANMLTNESA-N	520.630	3.867	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1	2296056472	QWQBVFBPDFLFNK-UHFFFAOYSA-N	533.610	3.785	10	10	KHCE	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	2296676485	XIGLDBCHPWVDID-ISJGIBHGSA-N	521.525	3.899	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCCOC(C)C)nc12	2296731190	CADFJQCUOYFEQL-KRWDZBQOSA-N	502.662	3.610	10	10	KHCE	
O=C(O)CN1C(=O)C(=Cc2cccc(OC(=O)c3ccccc3I)c2)SC1=S	2297504541	GIFHAIIHAQEGSN-UHFFFAOYSA-N	525.345	3.796	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1F	104562469	BRIMPWXXXWAOPH-YWNLSASSSA-N	544.586	3.701	10	10	KHCE	
CC(=O)OCCN(CCOC(C)=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(Cl)c1	242750724	ZWZLLAMBXRZLQM-UHFFFAOYSA-N	526.955	4.000	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864017165	HBUSQACAQZYFFN-XMMPIXPASA-N	536.629	3.872	10	10	KHCE	
CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2	1864020454	ZIKHAKJZBXYXPQ-IBGZPJMESA-N	511.376	3.582	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1	1864022043	JLHHMBUKNYPPIU-VFUNYLMBSA-N	548.562	3.618	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865032630	HKSPAJRAIZALSU-DEOSSOPVSA-N	534.613	3.732	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035258	POCIASLKAYOMET-GBXCKJPGSA-N	536.604	3.502	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(C(=O)O)cc3)CC2)cc1	1865488300	QNIVZKKAUXDWLQ-RUZDIDTESA-N	545.640	3.598	10	10	KHCE	
CCC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867295144	PVBPHYSVORYAHO-SXOMAYOGSA-N	508.663	3.920	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCN(C)CC3)nc12	2296698677	CNLGHFTWBXQFRL-GOSISDBHSA-N	505.669	3.717	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2296725968	DFULOXYWJWUBJJ-LJQANCHMSA-N	511.650	3.936	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314829162	PTZWWAWHUCTVQC-OAQYLSRUSA-N	573.762	3.995	10	10	KHCE	
Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)cc1	35960454	LNCUAXGHSNVNDI-MUUNZHRXSA-N	531.632	3.625	10	10	KHCE	
Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	110074758	CTBRXKHPAWJWOC-IDCRMVTHSA-N	588.715	3.797	10	10	KHCE	
CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1	1868146352	ARIZFBQPPXIPBF-UHFFFAOYSA-N	552.631	3.525	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(C4CC4)n4nc(C5CC5)cc4n3)CC2)cc1	1868988548	SONRWTNGAQJYKJ-HSZRJFAPSA-N	548.713	3.693	10	10	KHCE	
CCOC(=O)CCCOc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870370508	BFIRQQPIHNVHMK-UHFFFAOYSA-N	519.642	3.950	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4C)cc3)C(=N)N21	2297345512	DJWPKWDOVQUPOJ-UHFFFAOYSA-N	512.613	3.854	10	10	KHCE	
O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc4ccccc34)c3ccccc32)SC1=S	2326941566	OUZPTMZXGZEZGV-UHFFFAOYSA-N	517.588	3.871	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)n2)cc1	206728026	DOKSTGDXCDEQLN-GHRIWEEISA-N	530.678	3.839	10	10	KHCE	
CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	1084364508	SHGNXGMYOUWMIO-YBEGLDIGSA-N	552.175	3.820	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864016047	ZEKKPOZLIHWCMF-VQIMIIECSA-N	530.503	3.601	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868624499	RRYXDYWOOBRWCJ-MHZLTWQESA-N	563.120	3.526	10	10	KHCE	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c2c1[C@H](C(=O)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@@H](c1ccc(O)c(O)c1)O2	2037504679	DHYLGBJCEGEBGQ-FTTLMJOVSA-N	746.674	3.511	10	10	KHCE	
COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4ccc(F)cc4)s3)=NC2=O)cc1	2314952203	WQDDYQFJZLBILE-UHFFFAOYSA-N	501.590	3.921	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864022022	IYBMXQVDWCAUNK-IBGZPJMESA-N	542.518	3.653	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2	1865026076	JIPFIHCNDPWZQM-JRLRZGBRSA-N	506.578	3.989	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCc4ccccc4C2)[C@H]3c2ccc(O)c(O)c2)cc1	1865026843	BKZHUNDBCNVABA-SANMLTNESA-N	524.577	3.880	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865029531	PKURITPNRKVDEC-QHCPKHFHSA-N	539.032	3.815	10	10	KHCE	
CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804029	DVXXLZUAIZAHPW-UPVQGACJSA-N	541.649	3.530	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21	1873558088	HSSVTLORFGBCHZ-SFTDATJTSA-N	506.651	3.531	10	10	KHCE	
CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2314413834	IUUWPDWOMPQHJM-UHFFFAOYSA-N	532.651	3.638	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	100886004	DODUULCMRWOICX-HEHNFIMWSA-N	576.704	3.737	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCOCC4)=NC3=O)c2)C[C@@H](C)O1	110558417	UJRJQHPJFGECKN-VKLZREONSA-N	593.731	3.640	10	10	KHCE	
CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(N(C)C)cc1	526314811	HPHNLNXSXULHCL-XMMPIXPASA-N	523.611	3.865	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)c1	1083949083	QNAWGLWZGZNZEJ-ZSOIEALJSA-N	520.292	3.527	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	1084085772	CZOOMVRALINZBX-HSZRJFAPSA-N	556.482	3.635	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1	1862180343	DGXHRMMVBSZVAX-JOCHJYFZSA-N	504.052	3.595	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864012111	RGSGCTZVTPGEJV-SANMLTNESA-N	544.583	3.852	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@H]3c2ccc(O)c(O)c2)cc1	1864015370	PSDAEEPIUBMEIP-XLIONFOSSA-N	544.530	3.660	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1865029125	GNPFSDMULNVJSI-SANMLTNESA-N	542.592	3.851	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@H]2c1ccc(O)c(O)c1	1865029325	KOEZLZBWDPPECM-QHCPKHFHSA-N	524.021	3.710	10	10	KHCE	
CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865031820	OUEHJUPLBFWCKE-FQEVSTJZSA-N	543.546	3.550	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035000	JBEQBCLWRGEMSO-ATIYNZHBSA-N	546.668	3.980	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870710162	SMOSTWFOMDNFMB-UHFFFAOYSA-N	504.631	3.915	10	10	KHCE	
CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1	1873422164	JIWPJCYDKZPPSG-UHFFFAOYSA-N	528.609	3.528	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCCN3CCOCC3)nc12	2296698711	HYHMJSIAXXRWNP-IBGZPJMESA-N	535.695	3.709	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1	2297345940	PFYSHVZFOZBBTE-UHFFFAOYSA-N	504.977	3.549	10	10	KHCE	
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1	2297362605	PJMQMLDZMNJDEA-UHFFFAOYSA-N	500.467	3.587	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N([C@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	2314832592	JUAYGWLUCJZDJD-CXAGYDPISA-N	561.037	3.729	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc([N+](=O)[O-])c4)n(C(C)(C)C)n3)CC2)cc1	2331397238	YWWCGDMXUSMYAC-UHFFFAOYSA-N	505.579	3.928	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861892680	VGYMLXWLIAUDAC-QHCPKHFHSA-N	513.598	3.801	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864010392	MBOOUHXRERFBIK-HSZRJFAPSA-N	506.603	3.782	10	10	KHCE	
CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2	1864011889	ZSZDLXZJLPMNRG-FQEVSTJZSA-N	525.403	3.972	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1	1865032042	UHJYLDLSUPZMEI-KRWDZBQOSA-N	536.894	3.509	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865307499	PAUUGXSAPNOSDK-SANMLTNESA-N	540.624	3.865	10	10	KHCE	
CCCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866637814	HJYCZTJJJNJHME-DEOSSOPVSA-N	561.660	3.948	10	10	KHCE	
COCCc1nc(N2CCN(CCCc3ccccc3OC)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869110694	YLAFSJQHLOLRFX-UHFFFAOYSA-N	560.743	3.764	10	10	KHCE	
COCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870769101	DEKHGUKQWGGDQF-UHFFFAOYSA-N	507.631	3.592	10	10	KHCE	
COCCn1c(C(=O)Nc2ccc(F)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873649917	BUNDHCQOYYCHMW-UHFFFAOYSA-N	504.566	3.804	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	2296907878	MBQROUQIRMWVKS-UHFFFAOYSA-N	553.641	3.514	10	10	KHCE	
CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S	2314760888	MUCLPWXXMRZSJU-UHFFFAOYSA-N	506.646	3.631	10	10	KHCE	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377587	PBHMWTVVZYVFQG-NLRVBDNBSA-N	562.692	3.582	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1	1861940330	AACWNJMPJFULMX-LJAQVGFWSA-N	517.626	3.851	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865032751	JWGPPDYKWAJNLI-ZCCHDVMBSA-N	525.005	3.830	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865035450	UERAOQSSZHOZET-PXAQALGRSA-N	539.032	3.889	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)c5cc6ccccc6[nH]5)CC4)nc(C)n3)CC2)cc1	1869295270	DPKUTHUZTZNXKC-UHFFFAOYSA-N	511.630	3.564	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3CCCCCO)CC2)cc1	1870566740	BTBGAPAJBPTLLR-UHFFFAOYSA-N	510.635	3.526	10	10	KHCE	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	101378620	NNDGXCIXPBAYIB-YZSQISJMSA-N	549.649	3.809	10	10	KHCE	
O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	101909525	KRIBWZGQLBRCRB-VJOZSWGJSA-N	565.764	3.749	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864018171	DVPGKAZBURFNHX-HXUWFJFHSA-N	533.412	3.669	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865026795	AKZZNULUYMWDQD-OKHZJLECSA-N	510.978	3.576	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865026914	SWBSTOIBDKYWKI-RUZDIDTESA-N	528.540	3.910	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)CC1	1865027225	WJDVKNGOGCDVRW-SANMLTNESA-N	531.657	3.517	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865034730	CNEWDXHZQIMIGR-PXAQALGRSA-N	539.032	3.889	10	10	KHCE	
CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(Cl)cc1	1865084745	YMZBGKOQZVYLQH-QHCPKHFHSA-N	508.022	3.917	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866906696	WGCMSCWSRZFHMB-WJOKGBTCSA-N	525.605	3.765	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCCC(=O)c3ccc(Br)cc3)CC2)cc1	1868734923	LUVYDFUCAFPBHB-SFHVURJKSA-N	516.436	3.664	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1	1869036571	HEPMSKUTQLSLND-LXFBAYGMSA-N	511.622	3.832	10	10	KHCE	
COCCOC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870905779	PEQSTPRAIYDJKD-UHFFFAOYSA-N	508.619	3.724	10	10	KHCE	
COc1ccc(CCN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC	1873165675	PBQGRQXHEXEBNI-UHFFFAOYSA-N	530.669	3.975	10	10	KHCE	
CCOc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	2313548242	PVWMGIHKYGVUBU-UHFFFAOYSA-N	618.165	3.970	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1C[C@@H]1CCCO1	2314476632	SDXOKPVMZYYAKU-QHCPKHFHSA-N	596.756	3.940	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1	101397593	ZZHUHTFLASTDPQ-NLPPSYTOSA-N	528.612	3.554	10	10	KHCE	
CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=N)N12	101498199	KRAKBAJZRITQCM-WUVMMTAUSA-N	525.641	3.622	10	10	KHCE	
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccn3C)C[C@@H]2c2ccc(Cl)cc2)cc1	103431666	GWBQWBUSYNMWDV-MUUNZHRXSA-N	564.086	3.839	10	10	KHCE	
CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110531647	WEADYSUXCZYUDV-TYGBLEFESA-N	629.805	3.683	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cn(C)c3ccccc13)=C(N)O2	1864010271	QZGKHIYAUWAXPJ-SANMLTNESA-N	536.592	3.532	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865025929	FLQZYAKBWOXNHR-XMMPIXPASA-N	538.048	3.552	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865031916	RADFIUKQFQFGJF-HSZRJFAPSA-N	547.011	3.808	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865573536	XRNMLGJDBRAOQF-DEOSSOPVSA-N	501.631	3.826	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC4CCC5(CC4)OCCO5)c4ccccc34)[C@H]21	1873935669	VOWFFWIVEWLBFW-MHZLTWQESA-N	500.599	3.590	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl	101397883	UUVXRJPRKSWBDN-VUYJYGDXSA-N	532.987	3.579	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)CC1	103720022	TWWZNJLEKBAXKC-FCDQGJHFSA-N	533.723	3.979	10	10	KHCE	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	103920173	OJTKMWPUGXPANK-KOEQRZSOSA-N	535.582	3.543	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCC(C(N)=O)CC4)=NC3=O)c2)C[C@H](C)O1	150448899	KZXUMNHZRDCHPZ-QUOPZHOHSA-N	634.784	3.505	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861892679	VGYMLXWLIAUDAC-HSZRJFAPSA-N	513.598	3.801	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)cc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865062442	PXHOHELGMLPIPH-RUZDIDTESA-N	547.656	3.565	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1F	1865066210	SCOWHTZYCRUUEL-DEOSSOPVSA-N	505.594	3.793	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(C(F)(F)F)cc3)CC2)cc1	1865555703	HWABCHFLFHKTFK-QFIPXVFZSA-N	527.547	3.799	10	10	KHCE	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1	1867493111	HYGKAUXZQIRZPZ-SMCANUKXSA-N	611.743	3.604	10	10	KHCE	
CC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868693373	MTKVLWQDNIOUKF-JWQCQUIFSA-N	507.631	3.594	10	10	KHCE	
CC[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868995730	BPTBKPXGVNBAFZ-QFIPXVFZSA-N	518.662	3.770	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)cc1	2294216480	KZLVDMCFAMJUPS-UHFFFAOYSA-N	678.242	3.589	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	2296307091	SPLWJJDQBUUVRK-UHFFFAOYSA-N	505.669	3.939	10	10	KHCE	
COc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	2297345835	HGQHUTWOJPEPQX-UHFFFAOYSA-N	528.612	3.553	10	10	KHCE	
CCCOC(=O)c1cccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1	2326944752	NCCXVFBCAITWAZ-UHFFFAOYSA-N	510.593	3.846	10	10	KHCE	
Nc1c(S(=O)(=O)O)cc(Nc2ccc(C(F)(F)F)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O	20530822	GVSJQGCXRTYSNE-UHFFFAOYSA-N	506.414	3.752	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(I)c1OCC(=O)O	100225699	KCEGZVQTKYJNBO-LZYBPNLTSA-N	550.305	3.658	10	10	KHCE	
CCOC(=O)[C@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	104723922	PXTLHPSZPJLIBQ-FQEVSTJZSA-N	577.471	3.984	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCN(CC)CC)[C@H]2c1ccc(O)c(O)c1	1864022529	NXBFJFZYAISZHW-SFHVURJKSA-N	525.572	3.656	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865030897	TZLQURPHRJBLEH-VWLOTQADSA-N	549.647	3.681	10	10	KHCE	
CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865031055	YBQXGLDFMOMNAA-XXBNENTESA-N	539.032	3.626	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865032373	BABIWZNGGHXNHL-XMMPIXPASA-N	520.630	3.529	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccco3)n4Cc3ccco3)CC2)cc1	1873596603	FJDLJBLPSPSOGQ-UHFFFAOYSA-N	512.570	3.931	10	10	KHCE	
O=C(O)CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	2296543534	KNNFZTFAXPYTRS-UHFFFAOYSA-N	568.702	4.000	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC)c(OC)c3)C2=O)cc1	2313518784	SLKUJDYKYRRGEI-UHFFFAOYSA-N	536.322	3.764	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2314413675	DODUULCMRWOICX-UHFFFAOYSA-N	576.704	3.737	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccc4c(c3)OCCO4)c3ccccc3)CC2)cc1	2330518037	WOGIHJRKUBEFDF-LJAQVGFWSA-N	513.594	3.686	10	10	KHCE	
CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864015820	WKVVPWQQOMDVNK-KRWDZBQOSA-N	506.456	3.720	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1	1864022369	MIUIVPYMQJPFST-LJQANCHMSA-N	532.519	3.785	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3c(OC)ccc4ccccc34)CC2)cc1	1865217621	UYQQTTWVNXMKOY-MHZLTWQESA-N	539.636	3.942	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867279564	QLCQPTXSTFWVTM-MFMCTBQISA-N	590.636	3.751	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N2CCCCC2)cc1	1867739086	OJRXSHJYOAUGFO-HHHXNRCGSA-N	590.190	3.654	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1	1867790075	JCDRMETXHBOLMU-BZKUTMRRSA-N	644.773	3.888	10	10	KHCE	
CC[C@@H](C)NC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870961929	LOBGWBKPFNOUCY-OAQYLSRUSA-N	508.619	3.506	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCCN(C)C)C2=O)cc1	1873169717	UENHKWVTVJFSNK-UHFFFAOYSA-N	510.642	3.834	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=N)N21	2297344974	COTFRWVDCRPRHR-UHFFFAOYSA-N	528.015	3.995	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O[C@@H](CC)C(=O)O	2314935663	QFRDDHWHVOWFDA-INIZCTEOSA-N	516.597	3.882	10	10	KHCE	
COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	33592353	BCNDOGUUPCXIRR-PCLIKHOPSA-N	507.612	3.641	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(I)cc(I)c1O	100455625	YIJIYLQDFWDMBF-SDQBBNPISA-N	594.530	3.921	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	101745652	VQJIQTOTEKOWFB-KGENOOAVSA-N	620.547	3.940	10	10	KHCE	
O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC1=S	105463966	QXKMRPZRAOAQKL-ULJHMMPZSA-N	621.741	3.592	10	10	KHCE	
O=C(C[C@H]1CCN2C[C@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O)NCc1ccccn1	1615840502	WQQCKUYRTNEYAM-JWQCQUIFSA-N	540.664	3.909	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864015275	NVEGZGULBJSWLV-QGZVFWFLSA-N	538.910	3.803	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3ccccc3)CC1)=C(N)O2	1865031086	YOTPWVMHHJOZRT-RUZDIDTESA-N	531.657	3.696	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865032901	NNZKXCMORFQKTI-QFIPXVFZSA-N	541.004	3.606	10	10	KHCE	
NC1=C(C(=O)N2CCc3ccccc3C2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1865034153	QMSHRIKTGHIBFN-OAQYLSRUSA-N	549.509	3.977	10	10	KHCE	
C[C@@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866845359	ZAFIHGLOZYIMEQ-IAGOWNOFSA-N	588.667	3.504	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867608120	USUXCSHKOREAQT-LOYHVIPDSA-N	609.768	3.948	10	10	KHCE	
COc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC	2313561237	ZWLWXYCAHZANOH-UHFFFAOYSA-N	510.138	3.895	10	10	KHCE	
O=C1NN(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1	4515274	QYMRNHYNTVEJSN-CPNJWEJPSA-N	510.528	3.804	10	10	KHCE	
COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)Nc4ccc(F)cc4)n3)CC2)cc1	8851787	CRKDESNPBKGUPH-UHFFFAOYSA-N	500.621	3.913	10	10	KHCE	
COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1	101399442	BLMYHTCXOACFLU-MXRTVKJZSA-N	542.639	3.800	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	725432114	BIRNPCZYZHVTHI-MHZLTWQESA-N	571.655	3.911	10	10	KHCE	
CCC[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC)C(=O)O	1860758816	QFDTYKWXDWWHIC-AWEZNQCLSA-N	511.394	3.971	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(Cc3cccc(C)c3)CC1)=C(N)O2	1865036768	JMBMKOFTEHGWBA-AREMUKBSSA-N	545.684	3.860	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccccc1C(=O)O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865437913	KGNNVZRCGBHXRO-XMMPIXPASA-N	545.640	3.606	10	10	KHCE	
CC[C@](C)(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866626524	CNNZKFIYNOWQLJ-PMERELPUSA-N	559.644	3.929	10	10	KHCE	
CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2cccnc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867279562	QLCQPTXSTFWVTM-DGPALRBDSA-N	590.636	3.751	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4ccc(Br)cc4)n(C)n3)CC2)cc1	1869969357	LYEAMVDUYIAYED-UHFFFAOYSA-N	527.423	3.514	10	10	KHCE	
COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1[N+](=O)[O-]	1873425997	QSAWGNXMRAFMMT-UHFFFAOYSA-N	545.596	3.535	10	10	KHCE	
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891818229	UIVCVGNGCXJFNN-AJSBUHFISA-N	512.639	3.924	10	10	KHCE	
O=C(O)CCCCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	2296063162	YYIFXLNGROFZMR-LJQANCHMSA-N	538.651	3.686	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1	2296727656	WHBGBEVNCRHNNL-UHFFFAOYSA-N	501.611	3.637	10	10	KHCE	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C[C@@H](C)O1	33473366	GZYFVDGIJBMYBV-BFURNPMBSA-N	510.616	3.849	10	10	KHCE	
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1cccc(OC)c1O	247920677	OBSSFJLJTJNCHZ-PBANKSGMSA-N	573.602	3.950	10	10	KHCE	
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526286158	INYIHZZCVRREJS-QHCPKHFHSA-N	505.479	3.737	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864013198	RYWADHXBSRSDAW-JOCHJYFZSA-N	527.021	3.796	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2ccccc2)=C(N)O3)cc1	1864022572	OXCIIZLCQFEGFN-HSZRJFAPSA-N	512.566	3.560	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864023265	WTBJUAQREYBJSJ-SFHVURJKSA-N	518.492	3.743	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479152	WOXHJPQLQTUARZ-KYJUHHDHSA-N	596.732	3.796	10	10	KHCE	
CCN(CC)CCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871516456	YLNRHTVUWYDQHX-UHFFFAOYSA-N	508.646	3.655	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCCCO)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1	1871527211	BIPCDPQYUVRKMG-UHFFFAOYSA-N	505.667	3.954	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873423608	GHWYLRYKBHZJCX-UHFFFAOYSA-N	501.543	3.639	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1	2314399289	IMLDGFQMDLYVMB-UHFFFAOYSA-N	635.768	3.900	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCn4ccnc4)nc4ccccn4c3=O)SC2=S)cc1OC	103812539	RURIEHALGFNQDU-HAVVHWLPSA-N	576.704	3.854	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1	1861948143	AAZRHPCNOPZBEX-PBCPJNDBSA-N	516.461	3.721	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864007831	VXSMECJMTXPSJU-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2	1864008364	IXWVBEKVHHGODM-FQEVSTJZSA-N	513.392	3.821	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCO)=C(N)O2	1864013317	VTQDNGHINQFZPS-OAQYLSRUSA-N	547.439	3.795	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864013573	CTOBVZUGZMRDHO-QHCPKHFHSA-N	521.618	3.649	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864020485	ZUNYDVFSTNFNEA-OAQYLSRUSA-N	512.994	3.735	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1865031826	OXOVMVPOUCGJKW-HSZRJFAPSA-N	547.011	3.808	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1	1868613352	NRLLCLUHYGLKEH-LJAQVGFWSA-N	524.621	3.881	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1	1873164459	CMJOTOOUMJUDAQ-UHFFFAOYSA-N	540.645	3.811	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c(I)c3)C2=O)cc1	2294106493	ZYPSNMHUSFGGSF-UHFFFAOYSA-N	604.138	3.579	10	10	KHCE	
N=C1C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2296053611	JUIZTIUGPMHXGM-UHFFFAOYSA-N	530.585	3.697	10	10	KHCE	
CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O	33812639	OHRNFZHAVMTPRZ-HAHDFKILSA-N	521.712	3.900	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCCOc1ccccc1	104561045	HLRXJPFTSVKCIY-BQFUFWTISA-N	542.639	3.945	10	10	KHCE	
CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@@H]3C2=O)cc1	106553137	POFBZVKJJPHBJM-VWDBNSKXSA-N	542.592	3.739	10	10	KHCE	
CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](CC(N)=O)C(=O)O)C1=O	1858590512	UUYIMNDXRNHVMS-ZFSPTPKQSA-N	520.942	3.660	10	10	KHCE	
NC1=C(C(=O)NCCc2cnc[nH]2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864016888	ZQYUTQLJAIDMRN-RUZDIDTESA-N	548.603	3.786	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3sc(NC(C)=O)nc3-c3cccs3)CC2)cc1	1868627447	QVFLYCOJHQEARV-UHFFFAOYSA-N	541.699	3.625	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc4c(c3)OCCO4)C3CC3)C(C)C)CC2)cc1	1868687594	GZWLOVCIYANXSM-ABYGYWHVSA-N	521.658	3.840	10	10	KHCE	
CC[C@H](CO)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O	2296720917	WVVHHZBWPCEYNW-OAHLLOKOSA-N	501.033	3.932	10	10	KHCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	2297509125	ZRJQIIXJJKLKNQ-UHFFFAOYSA-N	536.610	3.930	10	10	KHCE	
CC(C)CN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	33339532	QWHFMHXRTHRICK-LTGZKZEYSA-N	505.669	3.878	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	102824711	LMMJVNNLGPWRMJ-ACRNLXFHSA-N	508.625	3.695	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)O[C@@H](C)C3)SC2=S)cc1OC	137689411	ARDRZHWICGPYAS-LKTRMCAWSA-N	568.721	3.640	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011331	GVLCJVOQFJMOKH-QFIPXVFZSA-N	512.994	3.540	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865027569	ZDKBNELBTRSROQ-WBPRFABPSA-N	525.005	3.635	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(N(C)C)cc1	1865083085	OKPDRLSQHLFWAU-SANMLTNESA-N	544.700	3.974	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2nccn2C)cc1	1866024558	RTKHOASHIBGZMC-FTJBHMTQSA-N	507.594	3.599	10	10	KHCE	
CC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866886165	JDJBJHRKMTUBSM-OAQYLSRUSA-N	539.009	3.813	10	10	KHCE	
COc1ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867318231	DWHXKMARGPBTTC-CLJLJLNGSA-N	512.720	3.956	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCS(=O)(=O)c3cccc(Cl)c3)CC2)cc1	1868789179	CTLFJCXFSGZBDH-MHZLTWQESA-N	570.111	3.589	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3n[nH]c(C)c3-c3ccccc3)CC2)cc1	1869062399	HCKLZEVJRGCULN-HSZRJFAPSA-N	507.660	3.594	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(Cc4ccccc4)n3)CC2)cc1	1869077281	AGIBSSNTJJKJRF-UHFFFAOYSA-N	569.754	3.537	10	10	KHCE	
CCN(CC)CCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873168814	KHDZWADHPBVKQK-UHFFFAOYSA-N	502.663	3.851	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21	1875222436	IHMSROKDOQHDSD-UHFFFAOYSA-N	574.682	3.938	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	102680082	URYMNZANUFGKKY-OQKWZONESA-N	535.695	3.539	10	10	KHCE	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](/C=C\c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	102805946	XIGLDBCHPWVDID-AHFJHVJBSA-N	521.525	3.899	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864013358	WOBAAHQTSLEWOR-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2	1864020146	WIZHKBLNTAJHCP-LJQANCHMSA-N	513.392	3.828	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865030020	AJORIRJWCXLHSX-JOCHJYFZSA-N	525.005	3.502	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867273564	BAECADFRXJKKEG-IXCJQBJRSA-N	548.599	3.532	10	10	KHCE	
Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(C4CCCC4)C3=O)oc2N2CCOCC2)cc1	33398176	KJBSHTIQYCHLIA-JXAWBTAJSA-N	519.670	3.796	10	10	KHCE	
CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	248249255	RPLIXUYFDRCSEF-MSZDEVHKSA-N	540.414	3.748	10	10	KHCE	
CCCCc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	1862164608	HUKCMKMGAPUOQH-QHCPKHFHSA-N	520.674	3.634	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864008824	SSPOSNIACNTWBI-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@H]3c2ccc(O)c(O)c2)cc1	1864016725	WJXJQJCUWITIGO-KOSHJBKYSA-N	526.593	3.510	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C)CC1)=C(N)O2	1865030325	HWNOBYDWCMZENW-SANMLTNESA-N	539.636	3.858	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865035427	TWMNRUGQTXBZQI-VBURHUQHSA-N	539.032	3.889	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)N2CCCCC2)cc1	1867717321	UHHTUSONXHQKSA-MUUNZHRXSA-N	571.653	3.766	10	10	KHCE	
CC(C)C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O	1868019983	ZLQFCIBDAYSRGF-UIOOFZCWSA-N	534.657	3.805	10	10	KHCE	
COCCNC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870966502	GOAQPFOHRIBJJC-RUZDIDTESA-N	506.603	3.524	10	10	KHCE	
Cc1ccc(Cn2cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c3ccccc32)cc1	2296065508	UFRWHQSKRNJQLR-UHFFFAOYSA-N	526.622	3.866	10	10	KHCE	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1	2297312517	OHBSBPMMVLLVCD-UHFFFAOYSA-N	505.430	3.641	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1	2314399299	JTQKSXCGHMQGAG-UHFFFAOYSA-N	563.705	3.725	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccccc1Cl	2314541220	HPJYXHFGWRIZAV-MRXNPFEDSA-N	521.016	3.848	10	10	KHCE	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	96577300	ICNYBXXFBJLSLV-HPFVHPJRSA-N	524.646	3.949	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	207325709	UGYZLRPDHFJUKD-JZQBQCRLSA-N	550.749	3.872	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864015113	JUHDKBWLHZWHQM-QGZVFWFLSA-N	504.465	3.532	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864018123	CWNRASZRZPZJAO-QFIPXVFZSA-N	545.011	3.671	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2CCO)[C@H]3c2ccc(O)c(O)c2)c1	1865027268	XDARKLAMMQHZMO-GJZUVCINSA-N	532.641	3.726	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3)CC1)=C(N)O2	1865037777	RARANZZSZBDTGS-VWLOTQADSA-N	531.657	3.865	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1	1892056461	QJCVIZFKXLZOLK-RUZDIDTESA-N	514.047	3.587	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S	2296716997	VMLVQMQPMZXNEV-UHFFFAOYSA-N	524.624	3.581	10	10	KHCE	
CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S	2314414781	MBBQGZDFTGJUQX-SFHVURJKSA-N	518.705	3.841	10	10	KHCE	
N=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	103596017	SRBAZGIDNUVMIJ-PUHYCJLASA-N	517.567	3.626	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCOCC2)=C(N)O3)cc1	1865033796	IFFVMVFDQWHXOO-DEOSSOPVSA-N	540.576	3.513	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccc([N+](=O)[O-])c3)CC2)cc1	1865466968	BBIZMARYUHTIDA-RUZDIDTESA-N	546.628	3.808	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(I)c1O	2313510280	IPJNPHQVIQVZPY-UHFFFAOYSA-N	503.079	3.970	10	10	KHCE	
Cc1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314600109	GNOJBNZEHORHSH-GOSISDBHSA-N	522.645	3.534	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc(Br)c1O	2323809154	DIAMTRXTRQESKI-CQSZACIVSA-N	510.387	3.766	10	10	KHCE	
CC[C@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	2331920330	UXIZFFLNSFGWAM-DEOSSOPVSA-N	559.644	3.649	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59302255	DRWJLMAIEDXLRL-LSCVHKIXSA-N	507.886	3.841	10	10	KHCE	
COc1ccc(N2CCN(CCNC(=O)c3cccc(Nc4nc5ccccc5n5cnnc45)c3)CC2)cc1	63457823	PDDGJBDTCIXIOB-UHFFFAOYSA-N	522.613	3.582	10	10	KHCE	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C	96460978	VKEOZMJFZWXSQE-HYRBKGOMSA-N	514.589	3.711	10	10	KHCE	
O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	253574494	SRIDQHRAKXGZBI-PWRODBHTSA-N	502.866	3.943	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1	1861996615	MRDRHCYAGPVPAX-QFIPXVFZSA-N	513.082	3.804	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864011808	YSFAMXPSDZRKEJ-QFIPXVFZSA-N	535.004	3.666	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864012077	QJYAKNZNAPQQDU-SANMLTNESA-N	544.583	3.852	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864012567	DDHYVQKCQQHFAO-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
NC1=C(C(=O)NCc2cccnc2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1	1864014995	HRBZWNXVSRDKBL-HXUWFJFHSA-N	537.498	3.767	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@H]2c1ccc(O)c(O)c1	1864017589	PJDCKZQMHIRFNT-QHCPKHFHSA-N	527.581	3.786	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866608376	FUNWERJUKJAJFY-AREMUKBSSA-N	580.641	3.547	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3nc(C4CC4)n4ccccc34)CC2)cc1	1868778978	ZIRFVBJVJGDAEH-SANMLTNESA-N	539.636	3.616	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(Cl)cc4)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1	1871716397	PIAKIKPQPBAYQJ-UHFFFAOYSA-N	518.021	3.765	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873422399	VSHBFIORQDDZFH-UHFFFAOYSA-N	501.543	3.639	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21	1875226703	CAJULANYDMRIEC-AREMUKBSSA-N	565.074	3.848	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)=C(N)O2	2326514638	CHZNJHTYBYTDMZ-HHHXNRCGSA-N	543.668	3.811	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O	1565533273	LQJBRCPEMVKYGQ-RIEVBORMSA-N	509.609	3.581	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC24C[C@H]5C[C@@H](CC(O)(C5)C2)C4)[C@@H]3c2ccc(O)c(O)c2)cc1	1864009077	YUYQJEBXKCFAKE-XJSXYRFCSA-N	542.636	3.795	10	10	KHCE	
NC1=C(C(=O)NCc2ccc(F)cc2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864023260	WRSQOYNJDIMOPY-IBGZPJMESA-N	541.461	3.847	10	10	KHCE	
COCCc1nc(N2CCC(N3CCCCCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869118302	YZXNFDITLKLGKP-UHFFFAOYSA-N	508.711	3.846	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1	2296940594	KFUYODRTCVNHSJ-UHFFFAOYSA-N	529.984	3.881	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	2314831190	FJDCZAUSXPYQTC-UHFFFAOYSA-N	519.670	3.743	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1	2323809291	VTNVVKCTPFNUNA-HXUWFJFHSA-N	514.625	3.537	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N21	96460955	OZQBFCOEBNBZAO-JGJJTGRPSA-N	506.949	3.552	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	101013535	XQXLCZNJYQQTTH-RRDPUDRWSA-N	616.812	3.958	10	10	KHCE	
CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862006773	VGJJOZMMICHLHO-GJZUVCINSA-N	513.082	3.804	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)c1	1864012315	XIRRJXMQWPQUOA-VWLOTQADSA-N	520.630	3.894	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864012914	MCKKKTQNFIAQNW-DEOSSOPVSA-N	520.630	3.841	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3sccc3C)CC2)cc1	1865338446	HJSVWHZQOZRDCJ-KRWDZBQOSA-N	533.576	3.861	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804728	RYPUWEGRMHPLMP-FUFSCUOVSA-N	555.676	3.920	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1	1869029977	ZAIMRUZIAKUXDR-QHCPKHFHSA-N	534.520	3.895	10	10	KHCE	
COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1OC	1873166062	ALCBEOWRWSLIIE-UHFFFAOYSA-N	539.636	3.989	10	10	KHCE	
CCc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	2297345406	TYMWLVSFLAUMTI-UHFFFAOYSA-N	533.031	3.981	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccccc1Cl	2297345881	KFFJRKUZXGZHAR-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	2313558867	LPFUAERHIYZSMA-UHFFFAOYSA-N	551.390	3.760	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12	2314400765	REICCAGLMQGCLD-IAGOWNOFSA-N	550.662	3.747	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc3c(c2)OCO3)SC1=S	143278859	ZQVRNZWSRXJJBM-NHDPSOOVSA-N	526.640	3.534	10	10	KHCE	
O=C(/C=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1	207343031	MHNKEUYFALRFDB-POHAHGRESA-N	544.593	3.839	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cc(C)ccc1O	1865204896	PVMNKOMSRIOACQ-RUZDIDTESA-N	531.657	3.922	10	10	KHCE	
CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867847409	VJZKNVNVXRKREU-RDGATRHJSA-N	540.621	3.729	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1	1869107167	XZFFHTGLGAPEHO-XMMPIXPASA-N	565.740	3.691	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425921	PRVMATAPLNYAQI-UHFFFAOYSA-N	524.625	3.885	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H]5CCCO5)ncnc4n3Cc3ccco3)CC2)cc1	1875232963	HOXYMVHZWUEXSD-QFIPXVFZSA-N	516.602	3.635	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314768493	KDRGTXGDQHMVLY-UHFFFAOYSA-N	620.547	3.940	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc([N+](=O)[O-])cc4)n(C(C)(C)C)n3)CC2)cc1	2331396489	FMWQHIYNVNKLTB-UHFFFAOYSA-N	505.579	3.928	10	10	KHCE	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1	33519373	UJXRVGKHBXEYSS-VVIXHQMUSA-N	505.534	3.670	10	10	KHCE	
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O)NCc1ccccc1Cl	72320684	HZNDJGGQCZZKFQ-UPVQGACJSA-N	555.119	3.610	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	101267012	VTSDJDCNWPBROX-IAFWPLRWSA-N	536.672	3.924	10	10	KHCE	
CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	110530235	ZJCJGCHRRASNKK-QAQQXZLWSA-N	562.783	3.699	10	10	KHCE	
CNc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	1084374479	BBYUWOUWSSWIJI-POHAHGRESA-N	607.186	3.908	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864013898	IKYWLLWMFUZBLP-RUZDIDTESA-N	527.625	3.762	10	10	KHCE	
CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864018122	CWNRASZRZPZJAO-JOCHJYFZSA-N	545.011	3.671	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865030959	VUXFIFRWFYGQPK-VWLOTQADSA-N	549.647	3.681	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865035111	LOFCUBHAFFPYQA-HYBUGGRVSA-N	536.604	3.502	10	10	KHCE	
CCCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1	1865267965	MMAVAWBYYYKYTQ-VWLOTQADSA-N	517.630	3.569	10	10	KHCE	
CCc1sc(NC(=O)c2cnc3nc[nH]n3c2=O)c(C(=O)OC)c1-c1ccc(Br)cc1	1866072226	ATLCRLTZTVJSGE-UHFFFAOYSA-N	502.350	3.510	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CCc3cnc[nH]3)CC2)cc1	1870625652	NEJKNTLKEIYFGH-UHFFFAOYSA-N	517.605	3.863	10	10	KHCE	
COc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CSc1ncccc1C(=O)O	2185889662	ZMKJDDWZGVSJCA-VLGSPTGOSA-N	525.633	3.962	10	10	KHCE	
COc1cc(OC)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	2313559671	KQANQRGGUPNBKH-UHFFFAOYSA-N	510.138	3.895	10	10	KHCE	
Cc1cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl	2314506485	DLUILGZWSQUGIR-CQSZACIVSA-N	548.067	3.837	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	6133846	MTXLUZOIBJNHQD-VYIPLNHISA-N	533.591	3.834	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	20208305	KVLZEQXDVZKILQ-XJWHVNBWSA-N	519.004	3.939	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1	20208330	XWZQNYVNXKVKKM-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CCCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	101741518	DWXAQZWNSOCKMR-XMHGGMMESA-N	601.541	3.630	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1cc(C)ccc1C	104558557	PNXZOJAXEBPNID-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3ON2CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	248075833	UEYVLINHPRRZIB-OLUZHXLYSA-N	573.738	3.508	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864009282	DISUBTXUHCMRIJ-DEOSSOPVSA-N	501.587	3.794	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865027173	VOKMELWJCZPRLW-QFIPXVFZSA-N	545.423	3.636	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865031036	XODZLGWTWRTYQZ-NBGIEHNGSA-N	532.641	3.529	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1OC	1865591676	BSRGPXQPOXGALF-RUZDIDTESA-N	531.657	3.916	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)N2CCCCC2)cc1	1866095198	QCKGTZVJEVPJKI-HSZRJFAPSA-N	527.463	3.845	10	10	KHCE	
COCCCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873559159	OLPLGXMMQIVEPO-OAQYLSRUSA-N	506.651	3.675	10	10	KHCE	
O=C(O)CCCCCNC(=O)CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O	2314832422	GWQWXBTZRNIIGG-UHFFFAOYSA-N	550.225	3.715	10	10	KHCE	
COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	34782267	YSBMCSOEGXPICE-JZQBQCRLSA-N	508.625	3.695	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccc(OC)c(OC)c3)CC2)cc1	59523593	ZOPPBDNCTAJFKU-XZWHSSHBSA-N	575.662	3.989	10	10	KHCE	
CN1/C(=c2\s/c(=C3\C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(C)c2=O)C(C)(C)c2ccccc21	59807954	NXFPIPUJFMOXNJ-NHXAQVIHSA-N	521.646	3.606	10	10	KHCE	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	103806068	HMJLSWPKDYJHRR-RUEWIVCDSA-N	603.663	3.582	10	10	KHCE	
CCN(CC)c1ccc(/C=C2/N=C(SCC(=O)Nc3c[n+](CC)no3)N(c3ccccc3)C2=O)cc1	104454050	MDTZBAPFNCVNSV-CJLVFECKSA-O	505.624	3.944	10	10	KHCE	
CCCN1C(=O)C(=c2sc(=C3C=Cc4ccccc4N3CC)c(=O)n2-c2ccccc2)SC1=S	254867454	GFTIHFVMSWYWTK-UHFFFAOYSA-N	505.690	3.939	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccccc3Br)CC2)cc1	1861913814	GHZSIGGZWJGRSR-NRFANRHFSA-N	506.466	3.658	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCOc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864023304	XTSDHXQLLPVHDV-IBGZPJMESA-N	548.518	3.622	10	10	KHCE	
C[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866630495	QOVHQNSUJLLYQB-INIZCTEOSA-N	566.035	3.802	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H](c3ccccc3)N(C)C)CC2)cc1	1868674868	GZAKOTVQSYTFHJ-IZLXSDGUSA-N	518.633	3.513	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3nc(-c4ccc5c(c4)OCO5)oc3C)CC2)cc1	1868997567	IXXTUTWTPAXJRA-QHCPKHFHSA-N	566.680	3.517	10	10	KHCE	
CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870361720	SFNYKUUASZHIKF-UHFFFAOYSA-N	507.631	3.838	10	10	KHCE	
COc1ccc(CCN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873169072	XNKQNRWFVFWKLS-UHFFFAOYSA-N	509.610	3.981	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(Oc4ccccc4OC)cc3)CC2)cc1	1892072692	WABWVJXQPVLUDA-FQEVSTJZSA-N	525.627	3.512	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N21	2297345568	IDTYWMWCDJSVDN-UHFFFAOYSA-N	520.976	3.800	10	10	KHCE	
COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1	2297477481	XSQDZLRMNUGCAU-UHFFFAOYSA-N	501.542	3.707	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(OC)cc4)c(=O)c4c3c3ccccc3n4C)CC2)cc1	9681784	ZJUZJUDAVDEUCQ-UHFFFAOYSA-N	523.593	3.857	10	10	KHCE	
COc1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4\C(=O)Nc5ccccc54)S3)s2)cc1	206384839	MPNXDIXLLKMQFE-WUKNDPDISA-N	524.609	3.682	10	10	KHCE	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)/C=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1	207328819	GRZLSTHZFFOPCR-DXNYSGJVSA-N	630.727	3.929	10	10	KHCE	
CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cc(Br)ccc2O)N3)CC1	226721201	DSLODMQPFMEHQP-STSQHVNTSA-N	504.450	3.917	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864011040	DDDSJWVJLTVDCC-RUZDIDTESA-N	544.539	3.530	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1864011407	UHCIIYPTMRUGNI-SANMLTNESA-N	527.625	3.898	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019585	MUOIJXUXQIYWMO-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865032372	BABIWZNGGHXNHL-DEOSSOPVSA-N	520.630	3.529	10	10	KHCE	
CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1	2295916601	GMOGNVDSNOZXEK-SFHVURJKSA-N	523.636	3.821	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C\c3c(N4CCSCC4)nc4ccccn4c3=O)SC2=S)cc1	33855512	JAKISPUCCWQAFM-XMHGGMMESA-N	510.666	3.658	10	10	KHCE	
O=C(COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(NC(=O)CCN2CCCCC2)C1=O)Nc1ccccc1	101034319	ACPKQXUXHFVXMW-JWGURIENSA-N	569.665	3.721	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccccc1Cl	104561449	JGZDDBPXTGIEMA-KELBLCKYSA-N	547.014	3.969	10	10	KHCE	
CCOC(=O)N1CCN(c2c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	105644598	QYBUMDMILCXTEN-LUJYGJGBSA-N	551.694	3.806	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864007173	HGJLIOJJRFFQKX-YCRPNKLZSA-N	531.396	3.889	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864008812	SNBBAXCGFYGVBV-RUZDIDTESA-N	522.565	3.538	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864008928	VFECLFRPCFJGBQ-JOCHJYFZSA-N	548.397	3.760	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864016372	NKHVAUJXUHRFLZ-HSZRJFAPSA-N	528.565	3.527	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864020161	WPGLKCCGUWPJFN-HSZRJFAPSA-N	500.555	3.817	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3cccc(OC)c3O)CC2)cc1	1865107389	SWJSHTWOPBOUSN-VWLOTQADSA-N	547.656	3.614	10	10	KHCE	
COc1ccc(-n2nncc2C(=O)N[C@@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1866925444	CZQSCHVXMKYURO-QHCPKHFHSA-N	555.616	3.542	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1	1868757859	FEJJAEJKGQPNED-LJAQVGFWSA-N	539.636	3.585	10	10	KHCE	
COCCn1cc(OCCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870632621	LSCODDLJIYTLFM-UHFFFAOYSA-N	507.631	3.673	10	10	KHCE	
COCCOC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870904232	JRLBTWGWDZTTAE-VWLOTQADSA-N	507.587	3.951	10	10	KHCE	
N=C1C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	2296073472	FSEJPJGBAJGQPC-UHFFFAOYSA-N	542.621	3.588	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1C	20207895	OOYOSFWSWLJGTD-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4cc(OC)ccc4OC)c3)CC2)cc1	98049740	QSQCULJIQLDLIS-UHFFFAOYSA-N	529.590	3.615	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(I)c3)C2=O)cc1	101677634	LDNAMOWXNKVDLY-SDQBBNPISA-N	574.112	3.576	10	10	KHCE	
COC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	101731636	ZKBPLLVITHRSQK-XMHGGMMESA-N	601.541	3.630	10	10	KHCE	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1	254441354	NNXZXWCUMPAEOX-SANMLTNESA-N	535.666	3.662	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)C2=O)c1	1084235626	HTXUSFULXSPNTR-VGOFMYFVSA-N	503.305	3.642	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864011627	JLYXMPORIRLDHX-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865119666	VVHACGPHCDRSJB-DEOSSOPVSA-N	517.630	3.613	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865197125	CWZRZXNITXFHOE-VWLOTQADSA-N	531.657	3.922	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cc(OC)ccc1OC	1865231948	GXVQJKJBPFYMSX-AREMUKBSSA-N	547.656	3.671	10	10	KHCE	
CCCOc1ccccc1[C@@H]1C(C(=O)N2CCN(c3ccc(OC)cc3)CC2)=C(N)Oc2c1c(C)nn2C	1865448295	FBAYAQRCHLKLRA-VWLOTQADSA-N	517.630	3.569	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCCOC(C)C)CC2)cc1	1870548810	PGGBQMILMMPKIJ-UHFFFAOYSA-N	501.668	3.798	10	10	KHCE	
CC(NCc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	2313682500	DNEMCDVZUAOKIT-UHFFFAOYSA-N	503.609	3.758	10	10	KHCE	
COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1	101399602	NUJBGMOAFDERDE-JNMYDYDMSA-N	526.596	3.562	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	103751270	PPKZFPXETZHBLZ-XOBACGFXSA-N	586.508	3.644	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	207308174	PTZWWAWHUCTVQC-VQYZLWMVSA-N	573.762	3.995	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc4nc(C(C)(C)C)[nH]c4c3)CC2)cc1	1862103229	VWHRSRSMSYLIEU-QHCPKHFHSA-N	507.660	3.733	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864009138	AJNSMFJEXIQEDQ-RUZDIDTESA-N	544.539	3.530	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864012246	VNLLSPYRKZBPRV-RUZDIDTESA-N	532.547	3.983	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3Cl)c2O1	1864016856	YTPNSNVDSAGFAA-HSZRJFAPSA-N	547.011	3.856	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2	1865030905	UEAZLOCORJAHON-VWLOTQADSA-N	531.657	3.927	10	10	KHCE	
CC[C@](C)(NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868927584	MXHGXHIIHUUDKG-PMERELPUSA-N	553.704	3.851	10	10	KHCE	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1	2296845204	FSZUTJGPBQXVLU-UHFFFAOYSA-N	505.669	3.546	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1ccccc1Cl	2297345579	JGZDDBPXTGIEMA-UHFFFAOYSA-N	547.014	3.969	10	10	KHCE	
C[C@@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)S2)C[C@@H](C)O1	2314476819	WOLYEVZDZNCMBT-NHCUHLMSSA-N	593.731	3.640	10	10	KHCE	
O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O	2314539201	NAAVCFHTRUOQRS-UHFFFAOYSA-N	505.327	3.574	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	2328585210	HPDPJCLUHIOMTM-MHZLTWQESA-N	514.582	3.693	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864010414	MPRZGMWYLWFQLJ-JOCHJYFZSA-N	527.021	3.863	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864017607	PXDMVNVTNFLSEI-XMMPIXPASA-N	522.565	3.733	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccc(OC)cc1)=C(N)O2	1864017991	ZYNFPKXKJBAUGF-VWLOTQADSA-N	542.592	3.744	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3ccc(Br)cc3)CC2)cc1	1865627246	BQSBJLDNELZAPT-JOCHJYFZSA-N	538.446	3.543	10	10	KHCE	
Cc1nc(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)co1	1867224997	GTXZTEXQPOSJAI-XMMPIXPASA-N	511.509	3.806	10	10	KHCE	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867500759	LAEBYLLPIWAURI-IBVKSMDESA-N	547.700	3.609	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1	1868900956	HEYNBTPTFBTIAH-NDEPHWFRSA-N	571.703	3.928	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1	1871666853	MEJXRQFVHJHIPL-UHFFFAOYSA-N	511.630	3.723	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCCn3ccnc3)C2=O)cc1	1873168545	ZCURELHYVXPKKB-UHFFFAOYSA-N	523.593	3.979	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1874642641	KDDUETIFIMBYSQ-NDEPHWFRSA-N	512.610	3.875	10	10	KHCE	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3O)C2=O)c1	2313557000	QNAWGLWZGZNZEJ-UHFFFAOYSA-N	520.292	3.527	10	10	KHCE	
CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OC	2314761276	REYMSCRLSLMIFN-UHFFFAOYSA-N	545.477	3.771	10	10	KHCE	
Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1	35960445	RHDRABXFLGAXBB-VWLOTQADSA-N	519.671	3.547	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	101399061	XQVGTSPRSXNAFH-IHLSHBBNSA-N	547.014	3.969	10	10	KHCE	
CC(C)OCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015409	QMMGYIFFDMKLFG-LJQANCHMSA-N	532.519	3.597	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864019408	KCKQOGMTYZLPBL-OAQYLSRUSA-N	512.994	3.737	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1	1865032428	CEKIMSXREWOSQM-RUZDIDTESA-N	548.640	3.628	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)C(=O)C4)nc(C(C)(C)C)n3)CC2)cc1	1869190598	CMGSZKCORMRLOO-UHFFFAOYSA-N	500.647	3.963	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])c(Cl)c3)C(=N)N21	2297345540	GDYWFIPFPCCFLL-UHFFFAOYSA-N	533.975	3.839	10	10	KHCE	
COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1	2297469416	XLWXDZSWNUBZLS-UHFFFAOYSA-N	513.535	3.985	10	10	KHCE	
CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(C)CC2)SC1=S	33812700	NRSOESUFVRUALD-PGMHBOJBSA-N	501.722	3.972	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)[C@@H](c2ccc(F)cc2)C1	101024059	FNILHMXHYMBRJN-HHHXNRCGSA-N	552.050	3.970	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N	105617099	PRTMJEIJTYHBFS-HZHRSRAPSA-N	531.663	3.886	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864018753	BZNAGKYXFSXYCR-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(N)O2	1865030084	BXUFNONSQCKJEJ-RUZDIDTESA-N	531.657	3.946	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865032041	UGSCMHXVUJPRTL-HXUWFJFHSA-N	546.546	3.926	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865038936	YSBRKSIICOHZDJ-RUZDIDTESA-N	547.656	3.565	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867318233	DWHXKMARGPBTTC-IZZNHLLZSA-N	512.720	3.956	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867519302	NFMVQGVWSAYZNL-URLMMPGGSA-N	623.820	3.580	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCN(Cc3cccnc3)C(=O)OC(C)(C)C)C(C)C)CC2)cc1	1868923358	FYBIYWVEDBKXBG-MHZLTWQESA-N	553.704	3.707	10	10	KHCE	
CC/C(=C\C(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC	1868948658	ALLZKFCNQMYCGN-OBGWFSINSA-N	516.436	3.725	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=N)N21	2297345466	YRQXFRDQYIGKRC-UHFFFAOYSA-N	523.379	3.834	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N1CCCCC1	2314767991	AHIZQDQENLTJPD-UHFFFAOYSA-N	525.652	3.941	10	10	KHCE	
COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4ccc(OC)cc4)s3)=NC2=O)cc1	2314951872	MMNRAQCUFBHZNO-UHFFFAOYSA-N	513.626	3.790	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1cccc(F)c1	35963768	KGZOWKZPLVBSDE-RUZDIDTESA-N	522.577	3.648	10	10	KHCE	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1	96460977	OKNHLSWKHVQRIY-PWSGBSGUSA-N	515.617	3.511	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccccc3)nc12	100850879	QRRDPRSTQJALKY-BRFSQIRFSA-N	529.690	3.542	10	10	KHCE	
CCN1C(=O)C(=c2sc(=C/C=C3/Sc4ccc([N+](=O)[O-])cc4N3C)c(=O)n2-c2ccccc2)SC1=S	254630734	LXUBCRQKBKANRD-XQYYEUJZSA-N	554.700	3.660	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CC2)[C@H]3c2ccc(O)c(O)c2)c1	1864015040	ILLLFUKEOQNQIU-IBGZPJMESA-N	514.504	3.951	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1	1864022968	SQWCAZAUDHQZBM-GOSISDBHSA-N	546.502	3.521	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865033169	UCFVPHRNXDAFGC-YCRPNKLZSA-N	545.423	3.831	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865034596	ABPYQPACLGKNDX-QMHKHESXSA-N	506.578	3.997	10	10	KHCE	
COCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1	1871537910	DIJOGWIQESGAIB-UHFFFAOYSA-N	518.449	3.549	10	10	KHCE	
CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1	1871649539	KFWAWIOFVDFWMK-UHFFFAOYSA-N	505.667	3.721	10	10	KHCE	
CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S	33704056	BMJQCJCIAYBAAF-QURGRASLSA-N	511.625	3.679	10	10	KHCE	
CCN(CC)c1ccc(CN(C(=O)COc2ccc(I)cc2)[C@H]2CCS(=O)(=O)C2)cc1	101065502	WRSZTEYGIYEEQM-NRFANRHFSA-N	556.466	3.732	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	102411779	MFVMVQAPIVWRJX-YNMQQHPQSA-N	577.703	3.969	10	10	KHCE	
O=C1[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C(=O)N1Cc1ccccc1	248008181	URVREBVEKVQPPH-FAWUNYRSSA-N	580.391	3.575	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864015790	VETDKIYORWAQPS-HSZRJFAPSA-N	519.646	3.770	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865029937	YTGICUUNUALLSX-QHCPKHFHSA-N	538.048	3.748	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3cccnc3)CC2)cc1	1865397152	SSIGIAWRQBYAFE-DEOSSOPVSA-N	522.609	3.534	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1	1869060249	MTSWMDDJWDTWPE-IBGZPJMESA-N	535.592	3.562	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1	1871491916	RKYYYZDNAZKABS-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	2297350807	YPAHBTRIKMOWIZ-UHFFFAOYSA-N	522.612	3.858	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S	40066645	YOIYDIQCNRZMMG-BKUYFWCQSA-N	512.657	3.814	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1cccc(C)c1	96460884	ZTGBLKOCXGWSAH-SPXSAIPKSA-N	512.613	3.982	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	103129617	FSVFKGHXZDBANT-HKOYGPOVSA-N	579.748	3.966	10	10	KHCE	
CCCC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861968923	OUHFDDINZOFEII-NDEPHWFRSA-N	506.691	3.931	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864019414	YDNWFKNXSVXUIC-HSZRJFAPSA-N	549.031	3.656	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865037248	MRTPDXOKJMDAMG-HFJWLAOPSA-N	540.620	3.925	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3cccc4ccccc34)CC2)cc1	1865129897	ABZYVKXNMASQTL-SANMLTNESA-N	509.610	3.934	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866628150	DZEULXOWMYXYKD-MRXNPFEDSA-N	566.035	3.802	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867614597	YZIRACLDLJKKKI-KYJUHHDHSA-N	591.778	3.809	10	10	KHCE	
CCCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868966540	XJHHNCXJMCNVSE-DEOSSOPVSA-N	506.603	3.996	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1	1869123593	ZDVYHVSAXPEKTQ-AHWVRZQESA-N	563.699	3.720	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3CCN(C)C)CC2)cc1	1870688318	FGWJHITUPLLRDQ-UHFFFAOYSA-N	504.675	3.752	10	10	KHCE	
C[C@H](O)Cn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870995138	VGZYPVNBKPFOPE-HFZDXXHNSA-N	520.630	3.601	10	10	KHCE	
O=C(COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)N1CCOCC1	1871035597	UUSQWFSSWPYKBC-UHFFFAOYSA-N	520.630	3.604	10	10	KHCE	
COCCCN=c1nc(Nc2ccc(C(F)(F)F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871681772	CUHWWYBAHPELQE-UHFFFAOYSA-N	517.556	3.840	10	10	KHCE	
CC[C@@H](C)Oc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	2313556744	KAFUWTIHITZGBV-GFCCVEGCSA-N	564.332	3.872	10	10	KHCE	
Cc1c(N2C(=O)C(=Cc3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	2314408573	IBRSEAJYHGNIFC-UHFFFAOYSA-N	546.678	3.966	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(OC)cc4)c(Cl)c3)C(=N)N21	101395663	HXIPXFNBIAEXBJ-ISFIWZGBSA-N	532.987	3.579	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1cccc(C)c1	104562665	OAMQQNPGWLTEDC-ADKREUBMSA-N	542.639	3.861	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864010029	NLMMLRJIEZRVPL-QHCPKHFHSA-N	535.963	3.850	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012058	PYPSLYHQTPHCLB-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864015386	QETZITWPYDHJSN-KPZWWZAWSA-N	518.492	3.920	10	10	KHCE	
C[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867375666	ODVKEUSBHSJDIT-MBSDFSHPSA-N	501.469	3.977	10	10	KHCE	
CCS(=O)(=O)c1ccc(O)c(N=c2nc(N(C)Cc3ccccc3)[nH]c(N(C)Cc3ccccc3)n2)c1	1871736818	IAFDXNFBRBHWKM-UHFFFAOYSA-N	518.643	3.809	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2	103613129	KFDZLCWVXGUBMA-GRIRDNQOSA-N	547.593	3.635	10	10	KHCE	
Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)cc1	104559764	UZGHOUFKBRNYQH-PTIPPUJDSA-N	547.412	3.598	10	10	KHCE	
CC[C@H](C)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)OC	1616129038	KRJNWOXNCNWARZ-IPEONRORSA-N	502.615	3.882	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2cccs2)[C@H]3c2ccc(O)c(O)c2)cc1	1864007479	NTPXEOJPSDSHGU-QHCPKHFHSA-N	518.595	3.716	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015890	FUZZRMCKZVJPMX-DEOSSOPVSA-N	544.583	3.996	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864016046	ZEKKPOZLIHWCMF-QFBILLFUSA-N	530.503	3.601	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029084	FTMPMZIMCQJZOZ-MFEFFIJZSA-N	504.587	3.566	10	10	KHCE	
CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1865033116	SFOCZKJFMYAIEZ-JOCHJYFZSA-N	541.004	3.606	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865038652	WYQXKOICZOWTHA-KBMIEXCESA-N	526.593	3.677	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(OC)c1	1865576192	QFVWLQBWPKRVQB-RUZDIDTESA-N	517.630	3.662	10	10	KHCE	
COc1ccc(-n2nncc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1866924462	MFUPULIUEUJPNI-MHZLTWQESA-N	587.592	3.737	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1	1868829316	YHWOIZNILZDVEH-NGDRWEMDSA-N	559.638	3.939	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3ccc4nc(O)c(Cc5ccccc5)cc4c3)CC2)cc1	1868928588	KBJBRFAAQSULGM-QFIPXVFZSA-N	538.648	3.936	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc(-c4cccc(OC)c4)on3)CC2)cc1	1868964506	LNJKWBRGCYZVLN-MUUNZHRXSA-N	556.619	3.754	10	10	KHCE	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1	32975413	PNCFVURNZRXHDL-QHCPKHFHSA-N	521.687	3.618	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](C)O1	1848439331	RDYXRPGVNWOQLW-RQMIQKIXSA-N	765.768	3.581	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N[C@H]2CCCC[C@H]2C)=C(N)O3)cc1	1864022959	SNTODMJDLSFOII-MPHOGZCYSA-N	504.587	3.896	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2	1865029140	HCJGPHQGOGZJFS-DEOSSOPVSA-N	546.624	3.605	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865031322	DXBAKNNXPYNRKB-JOCHJYFZSA-N	532.984	3.749	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(F)cc(I)cc3c2=O)c2nccn2C)cc1	1866446966	POIQBCAUBMPFGV-IBGZPJMESA-N	545.356	3.591	10	10	KHCE	
CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866810273	YDRLGQQMYATYKL-AREMUKBSSA-N	589.670	3.898	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cccc([N+](=O)[O-])c4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970363	OJTKVCHQCJUXIO-UHFFFAOYSA-N	529.557	3.772	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	2314542445	VEFPDCGZUFWXEN-INIZCTEOSA-N	521.016	3.848	10	10	KHCE	
COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)CC(C)C)cc1	98019554	NQLBQBQQTFVSRA-UHFFFAOYSA-N	579.723	3.789	10	10	KHCE	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1	102472432	PQCUZPIFYPKDIJ-DBQMFKLFSA-N	505.556	3.755	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OC(C)C	1084256058	AHRJKASHVDVRRJ-NSIKDUERSA-N	503.305	3.640	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864012918	MFGNIIZFKKKCMD-DEOSSOPVSA-N	520.630	3.839	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2	1865033053	QOOPIUWBLANZJO-QHCPKHFHSA-N	504.587	3.952	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3Cl)CC1)[C@@H]2c1ccc(O)c(O)c1	1865034986	IOJUCNNROJCLFA-HSZRJFAPSA-N	538.048	3.964	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865035449	UERAOQSSZHOZET-LNPFQXMTSA-N	539.032	3.889	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3csc(COc4ccccc4)n3)C(C)C)CC2)cc1	1868593486	UMRGSVNQNKMBFB-HHHXNRCGSA-N	522.671	3.763	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)C(=O)Nc3ccc(F)c(F)c3)CC2)cc1	1868777044	ZTWULLJFQJEILM-SANMLTNESA-N	568.646	3.679	10	10	KHCE	
COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)CC1	1873170967	YPSLBGVTZGWZQW-LQOCYXTFSA-N	519.642	3.922	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O	2294259233	VRIDCJLVUZMYIJ-UHFFFAOYSA-N	512.179	3.757	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1Cl	96459683	OBMSIAVHOQELJO-OLKKAHHKSA-N	504.977	3.549	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CS(=O)(=O)Cc3cc(C)ccc3C)N4)CC2)cc1	102802436	HHJDHZBEPDWZQY-MUUNZHRXSA-N	562.692	3.622	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCC4(CC3)OCCO4)nc12	102862484	VNBWXWXZWPOWQY-PGMHBOJBSA-N	534.663	3.748	10	10	KHCE	
CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	103662350	UWFBBPJDKXCKEQ-XSFVSMFZSA-N	532.500	3.650	10	10	KHCE	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	103811995	MDGRSUMGCILJIK-LICLKQGHSA-N	555.301	3.734	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1	1862182066	NVSJZSUHZKCNCZ-QHCPKHFHSA-N	520.095	3.931	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864019114	GOJMQIUPBVQPRC-VGOFRKELSA-N	525.005	3.548	10	10	KHCE	
Cc1cccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c1C	2313548118	MDANUJLPAUTWMM-UHFFFAOYSA-N	504.459	3.589	10	10	KHCE	
O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O	2314935222	NVFFUUAHRWSGMS-UHFFFAOYSA-N	508.480	3.524	10	10	KHCE	
CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S	40938283	IQGWEBPIIMMJHZ-HMMYKYKNSA-N	508.662	3.877	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc(N4CCN(c5cccc(C)c5C)CC4)c3[N+](=O)[O-])CC2)cc1	54491312	MMIQLDNQVHWRGQ-UHFFFAOYSA-N	503.607	3.663	10	10	KHCE	
O=C1/C(=C/c2ccccc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	101909549	ZYYVWPBFSRWGBU-AHFVYKFHSA-N	559.735	3.687	10	10	KHCE	
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(S(N)(=O)=O)cc4)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1	102370734	ODERJRLEPRNUQK-CLJLJLNGSA-N	606.730	3.587	10	10	KHCE	
Cc1c(Cl)cccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826526	GAQJMAQLSHPICO-VXPUYCOJSA-N	516.000	3.680	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864008892	URIRXCCUULHPGC-AREMUKBSSA-N	526.593	3.713	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864019115	GOJMQIUPBVQPRC-VGSWGCGISA-N	525.005	3.548	10	10	KHCE	
NC1=C(C(=O)NCCc2cccs2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccn3)c2O1	1864022393	NAWSGFTUEHXXLP-SFHVURJKSA-N	543.527	3.812	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867273566	BAECADFRXJKKEG-XTEPFMGCSA-N	548.599	3.532	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1	1868609346	UAUTXOBACKAJDC-MUUNZHRXSA-N	544.627	3.651	10	10	KHCE	
CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1	1871534271	BHJBHSFZKOWIFX-UHFFFAOYSA-N	518.666	3.745	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(CCCN(C)C)C2=O)cc1	1873421112	HMKASSTUAXNRLZ-UHFFFAOYSA-N	540.712	3.990	10	10	KHCE	
CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)CC1	2296706837	YNGQUWJIHRNQNF-UHFFFAOYSA-N	500.646	3.777	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	2297345833	HAEYQXUPSWFMDX-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cc(Br)ccc2O)N3)CC1	14460966	DSLODMQPFMEHQP-PMAPCBKXSA-N	504.450	3.917	10	10	KHCE	
CCCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862165114	QPJGKMMXQKTVQC-GYZWWNDVSA-N	520.674	3.629	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864012113	RMMJYCKEMURCSI-QFIPXVFZSA-N	506.946	3.908	10	10	KHCE	
CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1	1868275122	LPIAZGSANLNTRI-UHFFFAOYSA-N	538.652	3.693	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(CC(C)=O)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1	1869238768	VGLPZCAXLFGRJN-UHFFFAOYSA-N	521.065	3.843	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccc(C)cc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1	1871544672	WGAMPHFBLBPXAP-UHFFFAOYSA-N	513.621	3.896	10	10	KHCE	
CCOc1ccc(-n2c(=O)ccc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc32)cc1OCC	1873533940	GVZQFRGBQDPXCO-UHFFFAOYSA-N	501.587	3.913	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)C(=O)O	2294253355	FDJYZCPLHSDYFB-LBPRGKRZSA-N	519.373	3.531	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4cc(C)ccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	20609319	NUXLLOLITFSSKL-SJJVXOANSA-N	512.635	3.721	10	10	KHCE	
CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S	33394186	LBTYIYFFCIJJEC-MMTNMYCKSA-N	521.712	3.887	10	10	KHCE	
Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1Cl	101061883	DLUILGZWSQUGIR-BGARDKSCSA-N	548.067	3.837	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1cc(C)cc(C)c1	104558580	XENLOVDYSWVJQI-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	207327754	UCRQBNFFNANRBK-IOVUBPJKSA-N	518.682	3.704	10	10	KHCE	
C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826142	AZKSYAOTNABJCV-AKDSAVJFSA-N	516.000	3.760	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479150	WOXHJPQLQTUARZ-IHLOFXLRSA-N	596.732	3.796	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(CCO)CC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1	1867999354	YSEDFAIOTRGFFU-UHFFFAOYSA-N	530.717	3.891	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(C(C)(C)C)n3)CC2)cc1	1869187738	MALRZGLWQYBYGH-UHFFFAOYSA-N	504.683	3.930	10	10	KHCE	
Cc1nc(S(C)(=O)=O)nc(Nc2ccc3c(O)c(/N=N/c4ccc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5c4S(=O)(=O)O)c(S(=O)(=O)O)cc3c2)c1Cl	1933295835	NTCLDXQRGILBIP-QNEJGDQOSA-N	838.254	4.000	10	10	KHCE	
COc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2OC)cc1	2296566870	WMBGVIMUXMXWLC-UHFFFAOYSA-N	506.511	3.807	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)c(OC)c1	2313543718	DEWPQYUTZNYTBC-UHFFFAOYSA-N	509.496	3.712	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)cc1C	2313571081	MWLVICHAUOFUQG-UHFFFAOYSA-N	588.139	3.885	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(OC)c3)C2=O)ccc1O[C@H](CC)C(=O)O	2314936704	ZZMBZKWTNZVECI-QGZVFWFLSA-N	516.597	3.882	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1	100811772	MIWYVDOYZVDLJW-UHFFFAOYSA-N	539.498	3.615	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(C)cc4)c(OC)c3)C(=N)N21	101395407	CWLLOQICHXFATM-OQZKWKKUSA-N	542.639	3.863	10	10	KHCE	
CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1OC	101742292	NAFUBGUPZIRFIL-SFQUDFHCSA-N	559.504	3.859	10	10	KHCE	
COc1ccc2c(c1)N(C)C(=c1sc(=C3C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c1=O)S2	254607547	PNNFHKYFDYPZEE-UHFFFAOYSA-N	526.643	3.789	10	10	KHCE	
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OCC	526313575	LGDKAYZHNHWYRF-DEOSSOPVSA-N	526.567	3.600	10	10	KHCE	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	1084137241	SIMSZRHSEFBBOI-GHXNOFRVSA-N	680.233	3.808	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864014485	WCAHIUVHQPEQTG-QHCPKHFHSA-N	513.683	3.836	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864017323	JQZXYSYKEKSSBI-QFIPXVFZSA-N	518.595	3.927	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1864017780	VBWICEFXAMNYAF-DEOSSOPVSA-N	549.672	3.779	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479153	WOXHJPQLQTUARZ-LOYHVIPDSA-N	596.732	3.796	10	10	KHCE	
CCC[C@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868656995	HDGDYMILDHCRKV-VWLOTQADSA-N	520.630	3.843	10	10	KHCE	
CCCC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868792869	YALRAUDSBXBKNL-DEOSSOPVSA-N	536.094	3.536	10	10	KHCE	
CC(C)OC(=O)COc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870908931	NGXHWGRTFYXOSC-UHFFFAOYSA-N	520.630	3.867	10	10	KHCE	
CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1	1871594661	WPAFNLZTEJCHLP-UHFFFAOYSA-N	507.948	3.898	10	10	KHCE	
COc1ccc(CN2C(=O)C(NCCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC	1873169798	VTMPFDATCLDGSO-UHFFFAOYSA-N	558.679	3.703	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	1874643433	XZMUXJZMLWZILQ-MHZLTWQESA-N	527.581	3.775	10	10	KHCE	
O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	2296848546	CXUOWHQWWKLZGL-LJQANCHMSA-N	504.637	3.637	10	10	KHCE	
CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	2313561141	WMKPQBRTHNPBEZ-UHFFFAOYSA-N	629.201	3.671	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c(OC)c1	59595347	NMTCSVVNUYMHIL-UDWIEESQSA-N	506.540	3.851	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	105763237	FEBKXLFQSNKGHC-XLNRJJMWSA-N	554.694	3.994	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]23)c1O	248381450	TVRQPGPFNHWXBE-OLHJXYGRSA-N	553.571	3.601	10	10	KHCE	
CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861984757	UPALLRYEKDFUSH-WNCULLNHSA-N	510.654	3.680	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864017322	JQZXYSYKEKSSBI-JOCHJYFZSA-N	518.595	3.927	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1	1864017857	XGJZRFKRFNEUHT-QHCPKHFHSA-N	535.645	3.533	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1ccc(C)c(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869030690	OJBYYRYOQCPSKS-RUZDIDTESA-N	502.453	3.942	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccccc1	2297345280	IGXOVVQSNMVEGX-UHFFFAOYSA-N	530.653	3.878	10	10	KHCE	
CCC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	2297497922	JCDCIZUEKPGDHF-PXAZEXFGSA-N	557.930	3.676	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I	2313560960	NLEAANCYXBMBNT-UHFFFAOYSA-N	543.180	3.894	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1	101399042	VWEMPSBRJUIYRX-NFBUKIRSSA-N	526.596	3.624	10	10	KHCE	
CCOc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc(Br)c1OC(C)=O	103748824	AEATZUBZTMYDCX-OVCLIPMQSA-N	571.165	3.839	10	10	KHCE	
CS(=O)(=O)c1ccc(-c2nsc(NC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)n2)cc1	205975264	PLXPVKVUMMWZFJ-SFQUDFHCSA-N	548.668	3.978	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)O	1084396136	LMBPGJUVAJWOSD-AUWJEWJLSA-N	523.723	3.631	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1	1861928250	LEDMSUYCEFSGDH-RUZDIDTESA-N	521.589	3.541	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864008787	SBVWKHXOZOQJFM-VWLOTQADSA-N	512.566	3.920	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864019348	JFGBPUCBQGUSPI-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(O)c(O)c3)CC2)c1	1865029806	VOTRDYVDHBOIOH-RUZDIDTESA-N	517.630	3.611	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)C(C)C)CC2)cc1	1868641158	ZTOYCJATRXSNEJ-SANMLTNESA-N	508.594	3.830	10	10	KHCE	
CC[C@@H](Oc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c1)C(=O)O	2314931401	NSCSNDVQQJATPQ-MRXNPFEDSA-N	513.018	3.677	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S	110520411	GZXPHQWUMAFMEJ-KQWNVCNZSA-N	555.701	3.659	10	10	KHCE	
CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O	110524549	BXRNFGCZYNPRLF-BWAHOGKJSA-N	617.801	3.784	10	10	KHCE	
COc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O	1084099677	HEGMGQRMVQZOBB-JYRVWZFOSA-N	588.139	3.879	10	10	KHCE	
CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997136	QJOBRYYPJSMPCV-YIXXDRMTSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012675	GHVTZHVVVGHMPI-XMMPIXPASA-N	529.572	3.840	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1	1864021678	FKHKUQWIGXEWNX-INIZCTEOSA-N	508.522	3.838	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865029757	USGWQTMOOMNQQI-WAIKUNEKSA-N	539.032	3.815	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NC(C)C)cn3CCC3=CCCCC3)CC2)cc1	1870511198	RBYVZBFCHZLJBJ-UHFFFAOYSA-N	522.690	3.973	10	10	KHCE	
COC(=O)c1cc(C(=O)NCCN2C(=O)SC(=Cc3ccc(SC)cc3)C2=O)cc([N+](=O)[O-])c1	2053574933	PKFUWBMMBPCBKC-UHFFFAOYSA-N	501.542	3.570	10	10	KHCE	
COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	2314486758	CFCYLODNBQPNEQ-IYBDPMFKSA-N	502.614	3.704	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1	2314765219	XZJCQXKAVXEAAS-UHFFFAOYSA-N	511.625	3.633	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O	2314935738	RWNZGRCMYLGVDS-KRWDZBQOSA-N	536.653	3.730	10	10	KHCE	
Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c(C)c1	20207696	XRUSZDBNJHEHBM-ADKREUBMSA-N	521.624	3.958	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N21	96460516	RXYVXJKHHMKWDN-FAXLCBLLSA-N	519.004	3.809	10	10	KHCE	
O=S(=O)(O)CCN1/C(=C2/C=C(c3sc4ccccc4[n+]3CCS(=O)(=O)O)CC2)Sc2ccccc21	100265611	ZKPLVWNIRNWXRJ-UHFFFAOYSA-O	551.713	3.966	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864007462	NHONUEPBKIAGOF-DEOSSOPVSA-N	500.530	3.785	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007484	NWWSRAMGZPQEPQ-RUZDIDTESA-N	512.566	3.654	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007630	QTKXZXQPBBTSCP-RUZDIDTESA-N	530.556	3.793	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864009766	DFWXQQUAAZVIGW-DEOSSOPVSA-N	519.646	3.697	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2	1864011943	NJHVGFVQZIRLPA-VWLOTQADSA-N	530.556	3.680	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC[C@H]2CCCO2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015371	PSDAEEPIUBMEIP-YLJYHZDGSA-N	544.530	3.660	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@H]2c1ccc(O)c(O)c1	1864015527	BJUPEIYSMGIIAN-QFIPXVFZSA-N	506.603	3.853	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865030233	GKQZEPNZBIVBII-VWLOTQADSA-N	549.647	3.681	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc([N+](=O)[O-])cc1	1865643633	SDUBWPSFUFATMH-XMMPIXPASA-N	532.601	3.562	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869036572	HEPMSKUTQLSLND-NEKDWFFYSA-N	511.622	3.832	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(Br)c4)[nH]3)CC2)cc1	1871552178	QURSNVAXDYIBFZ-UHFFFAOYSA-N	512.456	3.625	10	10	KHCE	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1C	2314508258	OHNNRVDXQFCSDY-KRWDZBQOSA-N	541.676	3.800	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(Br)cc3)CC2)cc1	2328571070	AAZRHPCNOPZBEX-JOCHJYFZSA-N	516.461	3.721	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1	39439832	VYRIJSTUVZANHV-IVNHJSRESA-N	505.640	3.653	10	10	KHCE	
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(S(N)(=O)=O)cc4)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1	102370725	ODERJRLEPRNUQK-UIOOFZCWSA-N	606.730	3.587	10	10	KHCE	
C[C@H](CCc1ccccc1)N1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	102583223	FYZXSIGZVOXJIX-JGRCIHCRSA-N	583.645	3.572	10	10	KHCE	
CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143347259	RQAHBFAVQFDMJM-CVHFWEDTSA-N	556.735	3.829	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl	150354388	SSUQNBHYJKIADW-OCKHKDLRSA-N	662.533	3.876	10	10	KHCE	
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@@H]3C2=O)cc1Cl	248136200	CTAZEIOSLYYSDG-FAWUNYRSSA-N	535.940	3.778	10	10	KHCE	
COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc([C@H]3CCCO3)s2)sc(C)c1-c1ccc(C)c(C)c1	1860766752	MWUIWXGTPNFBNE-OAHLLOKOSA-N	500.602	3.829	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868656327	PROBCAFAMRCBMY-GDLZYMKVSA-N	520.630	3.843	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3csc(-c4ccccn4)n3)C(C)C)CC2)cc1	1868901955	RNUDGTKACWNBAV-RUZDIDTESA-N	507.660	3.636	10	10	KHCE	
CCC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868997738	KBPQBJPDXFDYIN-HSZRJFAPSA-N	534.613	3.564	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1	1871605077	IHGCTCJSWPDBNI-UHFFFAOYSA-N	505.667	3.638	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1	1873168657	DUMWSHNXNNQTRW-UHFFFAOYSA-N	509.566	3.658	10	10	KHCE	
CSc1ccc(C=C2SC(=O)N(CCNC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)C2=O)cc1	2042444304	ZASNELPSJGBOBT-AKJBCIBTSA-N	544.699	3.698	10	10	KHCE	
COc1cc(C(=O)NC(=Cc2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc(OC)c1OC	2297359107	SRHOYSXLERARKH-UHFFFAOYSA-N	604.685	3.682	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1	1450273	GJEFJZCJXTVXOC-RCCKNPSSSA-N	505.669	3.939	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(C(C)C)C3=O)CC2)cc1	33342554	BLSZQEMCLIPMAO-LTGZKZEYSA-N	521.668	3.639	10	10	KHCE	
Cc1cccc(OCCn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	96459541	YBUVOYJFDJVXTI-DMNVVODESA-N	507.597	3.650	10	10	KHCE	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	102925256	SCHCQYLRTORWTI-ALFKQNEGSA-N	573.743	3.721	10	10	KHCE	
O=C(CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)SC1=S)Nc1ccccc1[N+](=O)[O-]	150583834	MHZKUTKYISUHJG-VXPUYCOJSA-N	646.710	3.793	10	10	KHCE	
CCCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861880370	DTDVFTRKDKZVSI-DEOSSOPVSA-N	507.610	3.872	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1	1862196448	SSSJZYSULXMXHQ-FQEVSTJZSA-N	510.443	3.631	10	10	KHCE	
Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1	1864014689	AFPSJBZDULZQSG-SFHVURJKSA-N	502.493	3.889	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCCO)[C@@H]2c1ccc(O)c(O)c1	1864015128	JYNAZLYYAZGUQO-JOCHJYFZSA-N	506.603	3.591	10	10	KHCE	
COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1	1873165992	ZNKOTOVMMJDRCO-VWLOTQADSA-N	513.594	3.929	10	10	KHCE	
CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O	1873422325	REANJUKNWJIENU-UHFFFAOYSA-N	514.582	3.599	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1c(C)cccc1C	2297345291	JBNLYPOKBYGSFT-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COc1ccccc1C(=O)NC(=Cc1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)N1CCc2ccccc21	2297359023	HZUHGGCSGCWQHR-UHFFFAOYSA-N	544.633	3.665	10	10	KHCE	
Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	2314399922	FCWBGWLFEKRUFR-IAGOWNOFSA-N	550.662	3.747	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c(C(=O)O)c1OC	2314929487	NIMGJVSRVKULMT-UHFFFAOYSA-N	523.386	3.711	10	10	KHCE	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COP(=O)(Oc3ccc([N+](=O)[O-])cc3)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	27436676	SZNPXGNCMDBAAE-AQNXPRMDSA-N	589.414	3.911	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1	96459645	TVOAXWCGNFFJOX-BEBMFCDBSA-N	519.004	3.939	10	10	KHCE	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	102925253	SCHCQYLRTORWTI-IDCRMVTHSA-N	573.743	3.721	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864008813	SNBBAXCGFYGVBV-VWLOTQADSA-N	522.565	3.538	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865029981	ZLQYQBGSJVESMU-DFBJGRDBSA-N	548.640	3.703	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)=C(N)O2	1865030464	KHVWRWSPEBDCNM-XVMYRHOCSA-N	543.668	3.819	10	10	KHCE	
CCN(CC)c1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1	1865428070	HGASWTBYHGGQLW-AREMUKBSSA-N	530.673	3.627	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4F)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970376	OYDAAGHTPBALIS-UHFFFAOYSA-N	516.577	3.931	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3c(C)cccn3c2=O)SC1=S	2296707720	ALOCFXHBSMSYSS-UHFFFAOYSA-N	524.624	3.581	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12	2314399912	FCVNEYJJCQDBAZ-HUUCEWRRSA-N	500.646	3.551	10	10	KHCE	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)C[C@@H](C)O1	33445634	VIULRJNUPWCRDY-JECJDTASSA-N	506.653	3.752	10	10	KHCE	
N=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	103120855	AGFNGQDUTBDJSS-LMEPTBFJSA-N	518.555	3.805	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3OC)C2=O)cc1	164067681	LIZLMFUWERWLKU-OQLLNIDSSA-N	618.165	3.970	10	10	KHCE	
O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1	526431899	BJVPNCAHCXDVFI-OAQYLSRUSA-N	522.564	3.807	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864010642	AFOUMFSUAXNEGM-VWLOTQADSA-N	530.556	3.810	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2	1864011726	KMDPPWTVRRPUOQ-FQEVSTJZSA-N	501.370	3.931	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864022534	OAHYXTFRMZFJDI-IBGZPJMESA-N	547.534	3.715	10	10	KHCE	
CCCOC(=O)COc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871232743	QVEMZIISSIMWKD-UHFFFAOYSA-N	520.630	3.868	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1	2314831496	MIQINJQLKOSXTN-UHFFFAOYSA-N	540.486	3.717	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)cc1	2328619115	HIBLULIOVOUTJP-AREMUKBSSA-N	514.582	3.693	10	10	KHCE	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O)=C\c1ccccc1	15040144	ZOZUCRRXLMLAQV-GEZYKDBCSA-N	501.655	3.900	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1Cl	20207620	YDTJDXCOOXCIFI-XJWHVNBWSA-N	519.004	3.939	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N	39989582	DOBOOUNCOULSAM-FASCHPMRSA-N	516.689	3.894	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1F	96460861	RGVODKJKYOZFPU-SSOZYACPSA-N	516.576	3.813	10	10	KHCE	
O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)O)c5)n4)c3c2O)cc1	232018604	JZWSGEZNRDXUIX-XAHDOWKMSA-N	896.294	3.620	10	10	KHCE	in-vitro
CCc1nc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1	1861890225	BGFDSXYOZKHQIT-MHZLTWQESA-N	511.626	3.824	10	10	KHCE	
Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864010822	XGTIHUPDIACZRT-HSZRJFAPSA-N	535.963	3.850	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864013208	SOOJUHZJCNPJOR-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864018657	PZEBGADOHJISLT-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3ccc[nH]3)CC2)cc1	1865599192	SKXXGZUEBYCYTJ-AREMUKBSSA-N	524.625	3.869	10	10	KHCE	
O=C1C(=Cc2cccs2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	2314603368	SFYUVWUSVSJSEB-CYBMUJFWSA-N	545.104	3.958	10	10	KHCE	
CCOc1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)c([N+](=O)[O-])c1	96475794	YLFPPZKJDSOEDN-TWGBNTOESA-N	517.545	3.653	10	10	KHCE	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1	1084100481	YXFNLQYXADALEU-BKUYFWCQSA-N	519.579	3.729	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864014391	UHFAXGNYWMCXJI-QHCPKHFHSA-N	546.027	3.976	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1C(=O)O	1865444872	FBELVUQDILEDKW-XMMPIXPASA-N	545.640	3.606	10	10	KHCE	
CCOC(=O)Oc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1867292605	DXPNRCYRDYZNGK-CJFMBICVSA-N	510.635	3.750	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CCCN(C)C)CC2)cc1	1870344268	JJSVCWYJZRRVCC-UHFFFAOYSA-N	508.638	3.849	10	10	KHCE	
CCN(CC)CCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870549320	ZOCCLXMVYPSAKF-UHFFFAOYSA-N	514.711	3.715	10	10	KHCE	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	2296157166	OVRGDTUYLYNWDG-UHFFFAOYSA-N	562.003	3.985	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1	2297346170	IZKJYQGNZGPYEZ-UHFFFAOYSA-N	536.975	3.562	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(Sc3ccccc3)nc12	2314400714	QRRDPRSTQJALKY-OAHLLOKOSA-N	529.690	3.542	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC[C@H]3CCCO3)nc12	2314414173	RKFLQKGDPNBKTB-HXUWFJFHSA-N	588.715	3.797	10	10	KHCE	
COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O	35300178	LIGJOQZQDNMHAP-MOSHPQCFSA-N	510.641	3.861	10	10	KHCE	
COc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1	101835193	DFLVYIRDWRZRAG-HHHXNRCGSA-N	544.656	3.578	10	10	KHCE	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4ccc(OC(F)F)c(OC)c4)c(=O)n32)cc1	254566907	PBTPFZVKFALCOG-DEOSSOPVSA-N	557.619	3.864	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2	1864009870	MJFNDCUMRQKTKJ-AREMUKBSSA-N	531.657	3.734	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864010415	MPRZGMWYLWFQLJ-QFIPXVFZSA-N	527.021	3.863	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1	1864022731	QDNLEEMCTJULPQ-SFHVURJKSA-N	520.483	3.916	10	10	KHCE	
C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031280	DGMNVVVGGTUYIJ-QZTZHPFYSA-N	539.592	3.676	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccccc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865592480	PBXBKTBSCOSHFH-DEOSSOPVSA-N	517.630	3.526	10	10	KHCE	
COc1ccc(-c2csc(CCC(=O)N[C@H](CO)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1	1867072080	KRUJEMNHXNAMJY-HSZRJFAPSA-N	555.612	3.643	10	10	KHCE	
CCOc1ccc(-c2nc(N3CCN(CC(C)=O)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1869328410	XHRPZMAPKZUIRK-UHFFFAOYSA-N	530.673	3.589	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccncc5)C4)nc(-c4cccnc4)n3)CC2)cc1	1869366136	KHGRFOVXQSZAKQ-AREMUKBSSA-N	509.614	3.847	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1C	2313547767	BLWYTRPWOKZTOR-UHFFFAOYSA-N	504.459	3.589	10	10	KHCE	
CCOC(=O)C1CCN(C(=O)c2sc3ncnc(N4CCN(c5ccc(OC)cc5)CC4)c3c2C)CC1	10013147	XUGOGRMTQZOQKK-UHFFFAOYSA-N	523.659	3.750	10	10	KHCE	
COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OC(=O)c1ccccc1Br	33337733	GFKNZDXVRUBWLU-CPNJWEJPSA-N	503.374	3.979	10	10	KHCE	
CCS(=O)(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1	103175339	XKERFVPTNUVPTF-OAQYLSRUSA-N	558.726	3.823	10	10	KHCE	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	103806056	HMJLSWPKDYJHRR-BKOMJCAWSA-N	603.663	3.582	10	10	KHCE	
COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)Nc4ccc(NC(C)=O)cc4)n3)CC2)cc1	106207685	MZCZPVIRTHWGFO-UHFFFAOYSA-N	539.683	3.732	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110522870	WVPNSPDKRLLZIS-MVUTXWCHSA-N	549.722	3.755	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)CC2)cc1	1861974536	CLIYLFLXPWYHNV-UHFFFAOYSA-N	506.691	3.670	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1	1864023166	UXJODOCVKAUFBE-GOSISDBHSA-N	502.493	3.695	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1	1871640659	JZICUOQCFVLDIR-VWLOTQADSA-N	517.678	3.683	10	10	KHCE	
CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1	1873165038	FDVAZVQFKNTPNT-UHFFFAOYSA-N	501.583	3.787	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1	97464699	CFVIZLGTFGKWGO-OQKWZONESA-N	519.696	3.589	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(C)cc1	254349356	MNSGDDFUNIDOQN-AREMUKBSSA-N	519.667	3.962	10	10	KHCE	
CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(OCC(=O)N(CC)CC)cc3)SC2=S)CC1	1858591730	XIWYJKBRJQNDFT-HMMYKYKNSA-N	505.662	3.756	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864019305	IIMYUSGVJZOOMI-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1	1864022040	JIFVHJZETBTFHE-JOCHJYFZSA-N	522.602	3.525	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1	1869060250	MTSWMDDJWDTWPE-LJQANCHMSA-N	535.592	3.562	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1	1869308597	BGRMUFQXNUOQHJ-UHFFFAOYSA-N	585.753	3.622	10	10	KHCE	
CCN1C(=CC=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(CC)c2=O)Sc2ccc(OC)cc21	2297312312	ASNUFGUMUZBIJP-UHFFFAOYSA-N	518.664	3.766	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	102470040	VRUGLDQYUSNIIC-XHDXESRFSA-N	569.499	3.943	10	10	KHCE	
O=C(O)CCN1C(=O)/C(=C\[C@@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	102857581	IYBLIKVKNQMLRQ-GYKGCMEESA-N	516.000	3.628	10	10	KHCE	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	105606020	PAQZXHSMQXWEIO-CLCOLTQESA-N	563.749	3.953	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC	254625009	VGDZDZHGNFJTER-AREMUKBSSA-N	535.666	3.662	10	10	KHCE	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)C1=c1sc(=C2N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	254884258	PLODUNDLHORQPD-UHFFFAOYSA-N	551.628	3.916	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3ccc(C)cc3)CC2)cc1	1861939373	NIHMRHJLKPZNBV-NDEPHWFRSA-N	501.627	3.718	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864011017	CVEUYEISEWMUDV-VWLOTQADSA-N	530.556	3.810	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865026262	LEALDPFJMWJRJJ-RUZDIDTESA-N	528.540	3.910	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865027293	GBOZEFCIDMYZJN-OAQYLSRUSA-N	531.396	3.577	10	10	KHCE	
COCCN1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873419899	DQILJXTWPIRTLE-UHFFFAOYSA-N	500.599	3.769	10	10	KHCE	
CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21	1875201396	VALLPPLTZIOZHJ-HHHXNRCGSA-N	543.672	3.843	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(Cl)cc1	2297345345	ONMXYUABDOHMQR-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	2297346529	WTWZOPLIGPDQLI-UHFFFAOYSA-N	506.009	3.768	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S	2314399764	DGOONJSPMRFNRC-QGZVFWFLSA-N	527.716	3.814	10	10	KHCE	
O=C1/C(=C/c2ccc(O)cc2)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O	100462465	NGLGHTZPNXDRCH-QNGOZBTKSA-N	550.570	3.873	10	10	KHCE	
COc1cc(C)ccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	101398114	PKMMLZRLFCIFSQ-CGUYEQRQSA-N	549.030	3.736	10	10	KHCE	
COC(=O)CCN(CCC(=O)OC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1	111421222	FIIPIQBWGBRMTN-OCOZRVBESA-N	516.467	3.809	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCCc2ccccc2)=C(N)O3)cc1	1864023524	ZVKKVUHHLKDVBE-DEOSSOPVSA-N	526.593	3.951	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@@H](CO)C2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031780	NZOPYJGCOIIBEC-QRWLVFNGSA-N	544.530	3.536	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOCC1)=C(N)O2	1865036643	HYOMFBCYNXLLSH-XMMPIXPASA-N	512.566	3.553	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867223219	JCKDGDGAHGTSCS-YTTGMZPUSA-N	554.647	3.760	10	10	KHCE	
CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1	1871574687	UZWAZOLJAJRNMJ-UHFFFAOYSA-N	513.002	3.568	10	10	KHCE	
CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1	1873422121	HHOXHMLBMMWYQF-UHFFFAOYSA-N	528.609	3.989	10	10	KHCE	
[N-]=[N+]=N[C@H](CO)c1cc(I)cc(I)c1I	1951366885	NAYSPPHEJQXZKC-SSDOTTSWSA-N	540.868	3.844	10	10	KHCE	
Cc1cc(S(=O)(=O)O)ccc1N1N=C(C(=O)O)[C@@H](/N=N/c2cc(NC(=O)c3ccc4nc(Cl)c(Cl)nc4c3)ccc2S(=O)(=O)O)C1=O	150345469	VBKALLUZJMIMKJ-YUOLSMQFSA-N	722.501	3.930	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864009950	GIKWUOQJDAJCQF-RUZDIDTESA-N	549.672	3.787	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864016460	POLYUOUIVSCRHT-DEOSSOPVSA-N	542.592	3.569	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1	1865031173	APFRQOOLVSWTEB-QHCPKHFHSA-N	534.613	3.868	10	10	KHCE	
CC[C@@](C)(NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867227725	AFYMPFGCQBOUOV-SSEXGKCCSA-N	579.650	3.924	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867518370	NZKMACYIGTXIIY-URLMMPGGSA-N	591.753	3.627	10	10	KHCE	
CCCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868945487	RHNXXTFNMQGUAT-DEOSSOPVSA-N	537.636	3.881	10	10	KHCE	
COC(=O)c1ccc(COc2cn(CC(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)o1	1870556888	WKHXRVLYVIUCQF-UHFFFAOYSA-N	509.603	3.794	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@H](C)O)[nH]c(=Nc4cc(C(C)C)cc(C(C)C)c4)[nH]3)CC2)cc1	1871674586	YBQIPTYSPQHFJT-NRFANRHFSA-N	519.694	3.834	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1	1892129768	CVMIRRSMPGGWQC-OAQYLSRUSA-N	531.984	3.869	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(N3CCN(CCO)CC3)nc12	2314400400	LUAIJBHQWOBSIZ-UHFFFAOYSA-N	615.822	3.914	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)=C(N)O2	2326540963	KHVWRWSPEBDCNM-SANMLTNESA-N	543.668	3.819	10	10	KHCE	
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2	1864010669	VIUUDAFVEXXSAN-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2	1864013691	FIOLUFZTKAMABN-QHCPKHFHSA-N	506.603	3.773	10	10	KHCE	
NC1=C(C(=O)NCCCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1864016863	ZAUDRTNPQQRFFM-VWLOTQADSA-N	540.620	3.983	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865035001	JBEQBCLWRGEMSO-BKMJKUGQSA-N	546.668	3.980	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1865035724	ZWXFJWFSKVUSPC-HSZRJFAPSA-N	541.048	3.874	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1cccc(OCC)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865246979	IKNLPLIOASWUQZ-VWLOTQADSA-N	531.657	3.823	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867435477	JJWWUOZJRVVYNP-SVBPBHIXSA-N	547.700	3.609	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868652489	SVXCQQMJHGZEQO-LJAQVGFWSA-N	520.630	3.843	10	10	KHCE	
CCN(CC)CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870566034	ZQXRDIMDZWPZAA-UHFFFAOYSA-N	523.678	3.705	10	10	KHCE	
COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1	1873425548	FEVNLUYMLNMPSV-UHFFFAOYSA-N	542.636	3.795	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCC(=O)O	2294118595	BNCSZYYFFLQEBM-UHFFFAOYSA-N	537.750	3.939	10	10	KHCE	
CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2296930540	RDTGQKCTNSELIJ-UHFFFAOYSA-N	534.560	3.948	10	10	KHCE	
O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2297312664	VHWGMNQNCFDYDR-UHFFFAOYSA-N	577.732	3.863	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1	2297345949	QKDLPVBRMBJMQF-UHFFFAOYSA-N	543.583	3.582	10	10	KHCE	
CCc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	2297346120	FINBKWNWSDYQNH-UHFFFAOYSA-N	533.031	3.981	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1cccc(F)c1	35963766	KGZOWKZPLVBSDE-VWLOTQADSA-N	522.577	3.648	10	10	KHCE	
CCN(CC)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4F)NN32)c(OC)c1	588226548	WGGULGRSRJPEOT-SANMLTNESA-N	517.630	3.757	10	10	KHCE	
COc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)ccc1[N+](=O)[O-]	1860602639	UNUAEJJLRRYHIX-UHFFFAOYSA-N	513.506	3.870	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861994442	QZSLPOVRZNYOFV-MUAVYFROSA-N	510.654	3.680	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2	1864019287	XRGRUBLBCSUQQQ-VOIUYBSRSA-N	527.581	3.822	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865029756	USGWQTMOOMNQQI-QMHKHESXSA-N	539.032	3.815	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031568	JXMBZCPAHCZBQY-MDOVXXIYSA-N	544.530	3.941	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(F)cc(I)cc3c2=O)c2nccn2C)cc1	1866446967	POIQBCAUBMPFGV-LJQANCHMSA-N	545.356	3.591	10	10	KHCE	
CC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867251814	SWNSWUOFDHDDHT-LEWJYISDSA-N	587.434	3.793	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H](C)C3CCCC3)CC2)cc1	1868874125	ATMCEGBJSNSYSB-KMRXNPHXSA-N	521.658	3.823	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3c(C)cc(C)n(-c4ccccc4)c3=O)CC2)cc1	1869011278	RMBDPAGWKSPMCM-AREMUKBSSA-N	548.709	3.663	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCCCCCO)CC2)cc1	1870552029	MTCUCXCKBPZHHO-UHFFFAOYSA-N	501.668	3.536	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1	1873170309	VAOVPBAPDJLSCU-UHFFFAOYSA-N	551.691	3.830	10	10	KHCE	
CCCCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873552087	GHNGLSSXJLNLAG-NHCUHLMSSA-N	506.651	3.816	10	10	KHCE	
COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1	1892240897	ZLXQUXJCEUIJHY-OPHFCASCSA-N	526.659	3.713	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccccc1	2297346509	RHLCDSBWDQCHOB-UHFFFAOYSA-N	526.596	3.562	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	254710075	GMVPAJRBBCNYPI-FRDSZRFFSA-N	503.624	3.538	10	10	KHCE	
COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864008023	ABRMUQNSJQXVLR-VWLOTQADSA-N	540.576	3.698	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O1	1864015564	CGZABWMLYKIFOG-JOCHJYFZSA-N	532.984	3.797	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864015823	WKYJFIIRMUZJAH-MRXNPFEDSA-N	508.884	3.846	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1	1867795262	GMZRYKSTANAPPT-RUZDIDTESA-N	524.666	3.579	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCCCc3ccccc3)CC2)cc1	1870358730	HNTZZKGYCFZKRJ-UHFFFAOYSA-N	505.659	3.963	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873164537	GUAGJBQRIFWGSV-UHFFFAOYSA-N	516.617	3.825	10	10	KHCE	
COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1OC	1873169063	XBVFEOXLXMVUFC-UHFFFAOYSA-N	516.642	3.933	10	10	KHCE	
CCCOc1ccccc1C=CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1	2330193020	WUWCUDPOWHETSH-UHFFFAOYSA-N	509.584	3.865	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC	2185621	VGDZDZHGNFJTER-GTWFGUSFSA-N	535.666	3.662	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12	33451690	FCVNEYJJCQDBAZ-QPWAZXNSSA-N	500.646	3.551	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	101397092	HAEYQXUPSWFMDX-SSOZYACPSA-N	549.030	3.736	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	101745224	UNUNUBNKHVZDTR-KGENOOAVSA-N	606.520	3.632	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1cccc(C)c1	104560427	MLHYCJASSDYWBX-SVKNRIHUSA-N	542.639	3.863	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864018073	BXRMYJDPOSVMRM-QFIPXVFZSA-N	527.021	3.532	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2	1864019013	UEWXZICUXQWJIC-QFIPXVFZSA-N	517.973	3.905	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1865032140	WLFJBLZJNUOISW-DEOSSOPVSA-N	544.583	3.684	10	10	KHCE	
CC(C)N(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1	1865032166	XCNHFDIAIZLPBF-GOSISDBHSA-N	502.493	3.982	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3sc(C)nc3C)CC2)cc1	1868584863	LDIHUPJHMQXSFF-XMMPIXPASA-N	510.635	3.526	10	10	KHCE	
O=C(O)CCCCCCCCCCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	2296705987	HOEOYPBHMQJGBA-UHFFFAOYSA-N	576.741	3.912	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)c(C)c1	2297345219	CYPFFRWGJZCOBB-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	2314476895	XQXLCZNJYQQTTH-QFIPXVFZSA-N	616.812	3.958	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC	2314764910	OWZQCHKWTDVTDU-UHFFFAOYSA-N	513.641	3.797	10	10	KHCE	
CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@@H](CC(N)=O)C(=O)O)C1=O	2323799766	UUYIMNDXRNHVMS-NSHDSACASA-N	520.942	3.660	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1	15044515	YPJPARQSIJLVIY-RGEXLXHISA-N	507.634	3.873	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)O[C@@H](C)C3)SC2=S)cc1	39989619	JSXWPOVCOJUFAW-VICQTYQQSA-N	524.668	3.589	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12	100851050	REICCAGLMQGCLD-NIBLFHJUSA-N	550.662	3.747	10	10	KHCE	
O=C1/C(=C/c2ccccc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	101283021	KXVMUHBANABGMI-IWEBCOIVSA-N	539.075	3.896	10	10	KHCE	
CCc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	101398118	FINBKWNWSDYQNH-NSNCLKJASA-N	533.031	3.981	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	207312969	UYWATLZDBWSNON-HBZRLFRNSA-N	530.693	3.820	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	256044989	XLSWCVWJTJYQBF-VYOFCPRZSA-N	560.719	3.829	10	10	KHCE	
COCCCN(Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12	1614472319	YZVKKUBJPHTXEN-HYBUGGRVSA-N	500.636	3.626	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1	1864017019	CLCHVKVPCYLVNV-XMMPIXPASA-N	549.672	3.923	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865026792	AKZZNULUYMWDQD-ALLJEULLSA-N	510.978	3.576	10	10	KHCE	
C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C1	1865033490	ASACCNXRUIKXMH-LPMFXHHGSA-N	529.519	3.896	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865035451	UERAOQSSZHOZET-VBURHUQHSA-N	539.032	3.889	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1	1868764032	GBPAZGHTBLVOAH-LYZGTLIUSA-N	519.617	3.795	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868889940	JKKTVBQSGYOKFV-FQLXRVMXSA-N	553.663	3.985	10	10	KHCE	
CC[C@](C)(NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868926918	WPYLTLRUJXWPDB-PMERELPUSA-N	553.704	3.851	10	10	KHCE	
COc1ccc(CN=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]c(=Nc3cccc(F)c3)[nH]2)cc1	1871546743	HDMPEHQMBSOOHM-UHFFFAOYSA-N	515.593	3.554	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1	1871580605	PYBOAAOVGOYSAK-UHFFFAOYSA-N	517.584	3.993	10	10	KHCE	
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc1C2=O	1873931890	FJJDAEHUACJELZ-UHFFFAOYSA-N	502.435	3.782	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)COCc3ccccc3)CC2)cc1	1874642300	ANHPANGXBZVUTC-LJAQVGFWSA-N	526.637	3.769	10	10	KHCE	
Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1C	2296636146	SFNCSUPUFJDJPQ-UHFFFAOYSA-N	504.616	3.579	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1	2297346085	BZJSTVABINZXFZ-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	101679014	YYOCZVNTNJUTHZ-CHHVJCJISA-N	521.751	3.938	10	10	KHCE	
CC(=O)OC[C@H]1O[C@H](Oc2cn(C(C)=O)c3ccc(Br)c(Cl)c23)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	1848441316	BPSRGACEWSOJQT-OSKXVONFSA-N	601.794	3.926	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(F)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864006985	CDGHIFPESLBQRO-XMMPIXPASA-N	516.529	3.751	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864009915	NGUJZULCIYMQEU-QHCPKHFHSA-N	520.586	3.905	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864010555	NPFUPPGOIKVCRO-QHCPKHFHSA-N	549.031	3.987	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864012329	XTYKSHUMHBVNQD-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2F)=C(N)O3)cc1	1864022000	IFHFBAHQZXPJAW-JOCHJYFZSA-N	516.529	3.657	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864022819	YMOXVACYHXMTFF-QHCPKHFHSA-N	522.602	3.541	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@@H]2c1ccc(O)c(O)c1	1865033656	FRLWYHWWGDYJLE-GBXCKJPGSA-N	548.640	3.838	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3OC)CC2)cc1	1865585845	KRIMXJBKKLUBFD-SANMLTNESA-N	531.657	3.908	10	10	KHCE	
CCOc1ccc(-c2nc(N(CCOC)CCOC)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1867995781	HZKGDAXRHKNTEX-UHFFFAOYSA-N	521.662	3.977	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868626683	XCMSFGWHJSCGJJ-DEOSSOPVSA-N	563.120	3.526	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1	1871497193	WOHAFTLHDXUKLJ-UHFFFAOYSA-N	501.557	3.881	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O	2296707744	DYJHYAUQRBTALI-UHFFFAOYSA-N	510.641	3.861	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1	575338521	HGBZBLPEFVMINN-WDEMEZHVSA-N	772.638	3.522	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864008931	VHVNCCLRNNBPHL-OAQYLSRUSA-N	543.418	3.590	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865030936	VNPPQZCWNSKFID-PXDATVDWSA-N	532.641	3.590	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865030989	WIBJHTOTKMWLDX-RXFWQSSRSA-N	546.668	3.837	10	10	KHCE	
CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868887588	BYYVXUDBXOHYOA-DQEYMECFSA-N	505.619	3.542	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(-c4cccnc4)n3)CC2)cc1	1869376149	LKEGZAGJTPWNKK-NDEPHWFRSA-N	539.615	3.690	10	10	KHCE	
COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1	2296056465	ODYSDHUBKYLUTR-UHFFFAOYSA-N	533.610	3.785	10	10	KHCE	
Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	2296846599	BAGGBOZHXYOIAL-QGZVFWFLSA-N	502.662	3.610	10	10	KHCE	
Cc1ccc(C)c(OCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	2297345178	ZPMSOEXDXZBNJB-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)N(C)C)cc1	40323097	VYVWQJRTOBQISQ-HXUWFJFHSA-N	520.449	3.974	10	10	KHCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	102431148	ZDXIPJNUTAGFOA-ODUYVQIQSA-N	535.695	3.791	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Br)c1OCc1ccccc1	104558273	QWKKAUABKRMVOJ-LANNQIRMSA-N	549.428	3.658	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	229086640	RVOVFVNHDQGRQF-ILBGQUFFSA-N	522.652	3.529	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cccc21	1858626392	YLGJTBULSZAFLG-UHFFFAOYSA-N	509.971	3.654	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861997407	NXVOIRKLBIIVDB-RNWIMVQKSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864013492	XKIHPZMXDGGEQD-AUSIDOKSSA-N	539.032	3.938	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCC(=O)OCC)=C(N)O2	1865029985	ZNILMYSMGIIOCS-VWLOTQADSA-N	548.640	3.710	10	10	KHCE	
CCC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866883448	AOGYAUYBWAQMOK-JOCHJYFZSA-N	539.009	3.813	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3nc(-c4cccc(OC)c4)oc3C)C(C)C)CC2)cc1	1868652797	FMSAQKSWSAHZFH-MHZLTWQESA-N	520.630	3.699	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Br)o4)n(-c4ccccc4)[nH]3)CC2)cc1	1869970535	NEBDGGVLSFESGV-UHFFFAOYSA-N	523.391	3.632	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC(=S)N1CCS(=O)(=O)O	2296729354	CULPOYNTOOOYIX-UHFFFAOYSA-N	618.784	3.803	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc(C)cc1	2297346255	PZGWUHWEBZMJKK-UHFFFAOYSA-N	512.613	3.984	10	10	KHCE	
Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c(C)c1	2313565243	SRZXYEZTAHWUFS-UHFFFAOYSA-N	517.563	3.939	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCC(=O)O	2314933618	BXXHIQOSCQKOSY-UHFFFAOYSA-N	525.608	3.752	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCc4sc(NC(=O)c5ccc6c(c5)OCO6)nc43)CC2)cc1	8979808	CKOBRFNNQQEMLS-LJQANCHMSA-N	506.584	3.511	10	10	KHCE	
CCN(CC)c1ccc(CN(CCOC)C(=O)NC(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1	37422922	SJNJXOIIUXTSDX-UHFFFAOYSA-N	507.653	3.876	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccc(C)cc1	96460420	IHCPBSWICPXTLY-SCORJZKRSA-N	512.613	3.984	10	10	KHCE	
CCOc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	103813822	NSSHIMRUGKRIMZ-LFIBNONCSA-N	616.193	3.999	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012533	CJFCQVJENVFBFP-XMMPIXPASA-N	511.582	3.701	10	10	KHCE	
Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCCO)[C@@H]3c2ccc(O)c(O)c2)cc1	1864015673	CQHFBFHIOVCUFO-XMMPIXPASA-N	526.593	3.511	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864016847	YNZYMSAGTVKTFZ-QHCPKHFHSA-N	527.581	3.583	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864020403	YCZIQRGCDJJZBJ-VWLOTQADSA-N	531.657	3.592	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865028704	YGJFVOAHJXKMCY-AREMUKBSSA-N	548.640	3.846	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1	1869123595	ZDVYHVSAXPEKTQ-AZGAKELHSA-N	563.699	3.720	10	10	KHCE	
C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@H](C)O1	2296716273	VCVLUHHNFKQZQR-OALUTQOASA-N	551.694	3.869	10	10	KHCE	
O=C1C(=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	2296848584	HVIQVOGONICIEH-CQSZACIVSA-N	534.040	3.529	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1	2297346208	MLGJSOFMBSKTRP-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)CN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1	12867606	OSJIPEXVAGNXPT-MUUNZHRXSA-N	520.655	3.634	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc(C)cc1	20208414	PZGWUHWEBZMJKK-SCORJZKRSA-N	512.613	3.984	10	10	KHCE	
COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)cc1	104562255	GLYKTQFFMBLNLH-SMKDVUIYSA-N	542.639	3.800	10	10	KHCE	
CCOc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1OC(C)=O	104968734	HKPSJEHXWQLZGT-OVCLIPMQSA-N	524.165	3.997	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864010737	BELOBQBBQRLJBY-DEOSSOPVSA-N	518.520	3.940	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCCO)=C(N)O2	1864013676	YSNFPGMMIXWBEV-QHCPKHFHSA-N	541.048	3.922	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(F)cc4)[C@H]3c3ccc[nH]3)CC2)cc1	1865597102	MEQGFAQHHCPXBZ-AREMUKBSSA-N	542.615	3.759	10	10	KHCE	
COCCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1867953252	VURDSOXTBIVNQD-RMKNXTFCSA-N	528.701	3.836	10	10	KHCE	
CCCCCCN1C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	2296020922	DOADDGNUYBPDDI-UHFFFAOYSA-N	505.596	3.698	10	10	KHCE	
CCCCCN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S	33389919	XYNAEOBQEUSUNJ-XDJHFCHBSA-N	529.688	3.673	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1cccc(C)c1	96459822	XQALZMSOJAHWOR-OOFGAGLLSA-N	519.004	3.857	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2	1864013186	RVMJIJUEVIGVRK-NRFANRHFSA-N	503.584	3.704	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2	1864014510	WVVICXUGEKOZJA-DEOSSOPVSA-N	511.582	3.950	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC(N(C)C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865033479	AOKJCRFDNUDGQN-XMMPIXPASA-N	547.656	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@H]3c3cccc(Br)c3)CC2)cc1	1865101190	CXSBAURQBAMKIE-JOCHJYFZSA-N	538.446	3.543	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccccc3[N+](=O)[O-])CC2)cc1	1865616709	REDFQUVNFDUJLN-RUZDIDTESA-N	546.628	3.808	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425625	IVWBOSJXSAMPMP-UHFFFAOYSA-N	542.636	3.780	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	2296849778	RVOVFVNHDQGRQF-AZUAARDMSA-N	522.652	3.529	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccc(C)c1	2297345811	FGTJHRMZAJPRCJ-UHFFFAOYSA-N	526.596	3.623	10	10	KHCE	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4)cc3)C(=N)N21	2297345867	JOFUGHLXEDYQMS-UHFFFAOYSA-N	512.613	3.934	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1	2313565118	SOCJZPNKZRVQBQ-UHFFFAOYSA-N	502.479	3.647	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101266771	UGYZLRPDHFJUKD-RXWSAZGZSA-N	550.749	3.872	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864016798	XQBGOUQKKIFATP-DEOSSOPVSA-N	526.593	3.857	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514488	JMSHWNQNAXZOJI-CZNDPXEESA-N	655.796	3.775	10	10	KHCE	
Cc1c(C(=C2C[C@H](C(C)C)C(=O)[C@H](CN(CC(=O)O)CC(=O)O)[C@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O	2048409370	HIEMKKVAUHDMPJ-OMRWSRCMSA-N	760.859	3.812	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCCOc1ccccc1	2297345398	SWDOSNOLIBCTQN-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	2297345994	UURGGFFEAHBMGC-UHFFFAOYSA-N	504.977	3.549	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(C(C)C)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N	35520555	OJNYMDFWNDIXCD-FYJGNVAPSA-N	511.648	3.641	10	10	KHCE	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	100291876	XLOYWHRVYNANHK-FYJGNVAPSA-N	531.977	3.976	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1	101397749	XVQWOPOPTIUECC-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	1084104615	HNOXZFSWEMSHOC-DHDCSXOGSA-N	552.175	3.820	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864017915	YHGJTLHVOKMYNE-VWLOTQADSA-N	542.592	3.874	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864019248	XENNCVNWLRLVEI-NRFANRHFSA-N	546.455	3.584	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1nc3ccccc3[nH]1)=C(N)O2	1864022767	YBDBHTMHLPJROG-XMMPIXPASA-N	530.629	3.833	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865027290	GBOZEFCIDMYZJN-NRFANRHFSA-N	531.396	3.577	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865029197	IGJKRDZSDYKKHK-QFIPXVFZSA-N	541.004	3.606	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865032130	WERKFUDXXXBDKK-JKSBSHDWSA-N	504.587	3.702	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1	1892129767	CVMIRRSMPGGWQC-NRFANRHFSA-N	531.984	3.869	10	10	KHCE	
CCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296697799	MZDOOTGTGPCRNU-UHFFFAOYSA-N	519.696	3.936	10	10	KHCE	
Cc1ccc(OCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1	2297344987	DSPDYARQFLLVPN-UHFFFAOYSA-N	507.597	3.650	10	10	KHCE	
CC(NCCc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	2313682551	FWUVFMDWYTVZAK-UHFFFAOYSA-N	517.636	3.801	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	100849829	RUURMEJNNJSHKZ-HKOYGPOVSA-N	623.757	3.743	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OCC(=O)N(CC)CC	101741033	SZBZAAMFMHGDIW-SFQUDFHCSA-N	559.504	3.859	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(O)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084163540	SOHYKHLXUVUAAI-AREMUKBSSA-N	513.619	3.723	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@H]2c1ccc(O)c(O)c1	1864017859	XHTXLZGKUWUSPX-QFIPXVFZSA-N	522.602	3.616	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CC(=O)OCC)=C(N)O2	1865029196	IGJKRDZSDYKKHK-JOCHJYFZSA-N	541.004	3.606	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2	1865035075	KQPXOQKPCPSHGT-MWTRTKDXSA-N	506.578	3.997	10	10	KHCE	
COCCNC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870968162	WQICHCFOGDJYOM-UHFFFAOYSA-N	502.571	3.987	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	2313682708	JAJNBKCCDQHFMX-UHFFFAOYSA-N	522.539	3.521	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1	2338672	NEUUVLPONBCYEE-CQHJRZBDSA-N	505.669	3.717	10	10	KHCE	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	101965106	YEWUHMHOPXLRTM-TUBDAXHVSA-N	538.962	3.626	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	101969318	JJHDDEWVJRVTLJ-RGEXLXHISA-N	534.641	3.643	10	10	KHCE	
COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864009013	XILKJXDCSGXKKN-SANMLTNESA-N	542.592	3.799	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H](C)O)=C(N)O2	1864012927	MHPHKPORAWBNHQ-ZSEKCTLFSA-N	547.439	3.794	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864017303	JJGZIIPGGFBSME-VWLOTQADSA-N	542.592	3.874	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1	1865032131	WERKFUDXXXBDKK-PNLZDCPESA-N	504.587	3.702	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccccn3)CC2)cc1	1865379024	AUNKSGYHTXSIQS-DEOSSOPVSA-N	522.609	3.534	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21	1866863057	OXUUHYNXPKJCAZ-PIKZIKFNSA-N	573.605	3.887	10	10	KHCE	
COc1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1	1867012758	CSASJHSFXMURCA-FTJBHMTQSA-N	526.589	3.860	10	10	KHCE	
COc1cc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC	1867342824	HKLKNIGHJVKXAC-RPBOFIJWSA-N	572.772	3.973	10	10	KHCE	
CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804027	DVXXLZUAIZAHPW-LADGPHEKSA-N	541.649	3.530	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1	1871496249	JWYNZRGZURPMOJ-UHFFFAOYSA-N	510.646	3.925	10	10	KHCE	
CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O	1873167133	UAMNBCAPUNSGJU-UHFFFAOYSA-N	514.626	3.596	10	10	KHCE	
COc1cccc(OCCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	2297345356	PJWMHBUHXFOSHO-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1Cl	2297469059	GHIGOEVVZFJPMV-UHFFFAOYSA-N	525.034	3.924	10	10	KHCE	
Cc1c(N2C(=O)C(=Cc3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	2314399980	GNZAITJMAYAIBX-HDICACEKSA-N	588.715	3.512	10	10	KHCE	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1Cl	103600829	GHIGOEVVZFJPMV-YBSSFRMFSA-N	525.034	3.924	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(N3CCN(CCO)CC3)nc12	105623009	LUAIJBHQWOBSIZ-FLFQWRMESA-N	615.822	3.914	10	10	KHCE	
CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864014165	ONNIWZWJVAREEC-QHCPKHFHSA-N	501.587	3.802	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2	1864018501	MIIPUTPXPGWIED-VWLOTQADSA-N	541.608	3.748	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864020448	ZHSMOZYQQWGLEK-RUZDIDTESA-N	536.592	3.792	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865349906	NFGHUNVWZIFZDT-RUZDIDTESA-N	518.662	3.636	10	10	KHCE	
CCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	33416106	XOOFMOSSQNDFOK-HEHNFIMWSA-N	505.669	3.628	10	10	KHCE	
O=C1/C(=C\c2cccs2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1	207307641	KRIBWZGQLBRCRB-NNIWKIFQSA-N	565.764	3.749	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC2)cc1	1862103941	WTEYIXAJAXOAKM-HSZRJFAPSA-N	509.676	3.895	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C(=O)OCC)C1)=C(N)O2	1865029670	SLCZGTAICRRTHZ-NTKDMRAZSA-N	546.624	3.732	10	10	KHCE	
NC1=C(C(=O)N2CCC(O)CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865031800	OHTIPAQXTKMDPE-RUZDIDTESA-N	538.604	3.688	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865032704	IPGVLIBCIDRWOE-KIMHZCHSSA-N	525.005	3.830	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(O)c(OCC)c1	1865036372	CYCCCUNHPMTECE-AREMUKBSSA-N	547.656	3.758	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc([N+](=O)[O-])c1	1865467321	JDCQSTZDNAVRSD-XMMPIXPASA-N	532.601	3.562	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865552651	HAHNVLVSICKIIE-QHCPKHFHSA-N	505.594	3.657	10	10	KHCE	
CN(C)[C@H](C(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cccnc1	1867281410	OVNSURUHPBZFPK-SVBPBHIXSA-N	518.573	3.956	10	10	KHCE	
CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867470383	ZHTVCHHKKMRMDC-WUFINQPMSA-N	619.763	3.700	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCC(=O)c3cccs3)CC2)cc1	1868735637	TXMBDFHVYMQXKW-NRFANRHFSA-N	503.690	3.696	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1	1869122907	NRWPEBLMHTVECW-HHHXNRCGSA-N	532.664	3.559	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(N(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1OC	2296017994	KQBRVFSUEBPGRS-UHFFFAOYSA-N	510.641	3.530	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccco1	2297346463	JJVJAERKPOOBPZ-UHFFFAOYSA-N	530.584	3.545	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)nc(OC)n1	2297511474	OBTXGBGIDGTYBI-UHFFFAOYSA-N	522.587	3.630	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccc(F)cc2)=C(N)O3)cc1	1864021582	CXUDCAKATLABBK-JOCHJYFZSA-N	516.529	3.657	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1865033300	WNRKQWZVQDOXPR-JOCHJYFZSA-N	527.021	3.815	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1	1865034325	TYHAWMCVXBTYOI-XMMPIXPASA-N	541.608	3.688	10	10	KHCE	
CCC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868908575	NCAHSDFWGAPZQB-DEOSSOPVSA-N	507.660	3.780	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1ccc(C)c(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1869030691	OJBYYRYOQCPSKS-VWLOTQADSA-N	502.453	3.942	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3C[C@H]3CCCO3)CC2)cc1	1870599319	UCYSGMCUAJHTLA-MUUNZHRXSA-N	519.642	3.816	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21	1875226704	CAJULANYDMRIEC-SANMLTNESA-N	565.074	3.848	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1c(C)cccc1C	2297345987	UJPWJKCMHDDDOD-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1	2328484391	LTDDWPOZXIOLGO-LJAQVGFWSA-N	515.610	3.932	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1	35963628	QVNIXKPFRJNNOY-AREMUKBSSA-N	504.587	3.509	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)N1CCOCC1	101744013	HVDANALCAYALPZ-KGENOOAVSA-N	562.069	3.523	10	10	KHCE	
COc1ccc(CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1OC	1860596685	JQGHDBIDOLSZPB-UHFFFAOYSA-N	512.562	3.899	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(OCC)c(OCC)c1)[C@@H]2c1ccc(O)c(O)c1	1864010108	PNMQBQWOGMPUFK-RUZDIDTESA-N	536.629	3.864	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1	1864014827	DFVDMEPXOLMKBS-QGZVFWFLSA-N	506.456	3.721	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015782	VCMVSLCWNGTQBU-FQEVSTJZSA-N	545.562	3.514	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015800	VUAZQDGGCGWQBY-IBGZPJMESA-N	548.518	3.548	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865029681	SSIHKZVJMBYRDS-MWTRTKDXSA-N	539.032	3.815	10	10	KHCE	
COc1cc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC	1867451118	NGNVONMDLVVXNZ-OAQYLSRUSA-N	577.520	3.614	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296704208	XNMYCXLFLPRPEK-UHFFFAOYSA-N	565.721	3.576	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC	2313549206	PSRDNLCQHAUIPQ-UHFFFAOYSA-N	506.296	3.592	10	10	KHCE	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)c1	96460780	DQOVRFMUASJRJP-JNTYBJLZSA-N	514.585	3.771	10	10	KHCE	
COC(CN(C)CCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3)OC	101483028	JKADQSNQIXXDSQ-UHFFFAOYSA-N	559.623	3.557	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	254290435	MFVMVQAPIVWRJX-MUUNZHRXSA-N	577.703	3.969	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864012383	YWIHEQXIUXWVOS-XMMPIXPASA-N	518.520	3.940	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865026604	QEGGOWUNOKGNMP-VWLOTQADSA-N	528.540	3.910	10	10	KHCE	
CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1867279563	QLCQPTXSTFWVTM-JDXGNMNLSA-N	590.636	3.751	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1	1868891320	ZHKBVGKDDUZYRQ-HSZRJFAPSA-N	570.488	3.915	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1	1869138590	RNCRMTYOJOHRMF-SANMLTNESA-N	502.638	3.933	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)C(F)(F)F)n(-c4ccc(Br)cc4)n3)CC2)cc1	1869970918	SRVBESNGRJDABQ-UHFFFAOYSA-N	525.329	3.866	10	10	KHCE	
COCCCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873170670	LPYZUHPJXNSSGV-UHFFFAOYSA-N	507.631	3.780	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2S1	2297346079	AYAKNYKLZBRMPD-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N([C@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	2314832593	JUAYGWLUCJZDJD-DYVFJYSZSA-N	561.037	3.729	10	10	KHCE	
CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O	33812661	QPSXVPJGJJWCNF-STZFKDTASA-N	501.722	3.828	10	10	KHCE	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	97070954	UYIFJLVAJICXIM-IUXPMGMMSA-N	505.486	3.980	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)COc3cccc(C)c3C)CC2)cc1	1862192935	NQUNMFLXFRSSDU-MHZLTWQESA-N	501.627	3.767	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864023227	WDARSKAHWXKKHD-QHCPKHFHSA-N	528.565	3.798	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2	1865030754	QDVZQOLYORHDFO-RUZDIDTESA-N	523.593	3.911	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3cccs3)CC2)cc1	1865321084	CKUULHJZDKFJHY-DEOSSOPVSA-N	528.638	3.689	10	10	KHCE	
CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21	1875202309	KGOPTBHZQOQPIO-UHFFFAOYSA-N	530.629	3.922	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	100880664	MVKDUEMPLDPMGF-LKZQPVPRSA-N	565.696	3.849	10	10	KHCE	
O=C(O)CNC(=O)CN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	1858596199	OYANJMITYGEPMB-RGVLZGJSSA-N	530.027	3.776	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864009139	AJNSMFJEXIQEDQ-VWLOTQADSA-N	544.539	3.530	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865028995	CXFOVIVVDHAMPJ-MHZLTWQESA-N	539.636	3.992	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865029017	DDYYVHHQUQATPD-WXTAPIANSA-N	526.593	3.671	10	10	KHCE	
O=C(Nc1c(Br)cccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O	1865878895	BPBZENKALPLASZ-UHFFFAOYSA-N	523.295	3.925	10	10	KHCE	
CC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867078838	UXIZFFLNSFGWAM-KWYINTIXSA-N	559.644	3.649	10	10	KHCE	
C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867485563	YZVZICWUQFKLAG-OGZQLISNSA-N	657.743	3.645	10	10	KHCE	
COc1cccc(-c2nc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1	1868134598	OIXGSKKJYLELTO-UHFFFAOYSA-N	509.518	3.731	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1	1869110908	IRWISAQNGKYENK-UHFFFAOYSA-N	604.159	3.776	10	10	KHCE	
CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1	1869225153	BZMWMTWMSQUDCD-MHZLTWQESA-N	504.610	3.581	10	10	KHCE	
C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1	2296713664	PCLJWEZUOYANNR-HNNXBMFYSA-N	527.649	3.952	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	96459367	WRFUYRCKLQURCS-AZAZKDLZSA-N	502.599	3.793	10	10	KHCE	
CCOc1cc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1OCC(=O)O	210939788	BXXHIQOSCQKOSY-MOSHPQCFSA-N	525.608	3.752	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864008825	SSPOSNIACNTWBI-QFIPXVFZSA-N	503.946	3.651	10	10	KHCE	
COc1cccc(OC)c1C(=O)N[C@H](CCSC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867367819	AFYULJVKKVHRPC-DNQXCXABSA-N	542.746	3.965	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1	1868789631	CIJZPDCCPWNLSZ-SVEHJYQDSA-N	572.731	3.815	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	2297345198	BKHQDNNBYACDNX-UHFFFAOYSA-N	512.613	3.718	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(Cl)c(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1	2297346193	LDPUDFLMFSXGKH-UHFFFAOYSA-N	539.016	3.641	10	10	KHCE	
COC(=O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	2313558780	JSLSQEYRTAHWLL-UHFFFAOYSA-N	619.206	3.576	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S	2314837423	SBLOLKOASMGMQT-VIFPVBQESA-N	621.354	3.793	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1cccs1	35963746	BKQAMXHMMLCVGE-JOCHJYFZSA-N	510.616	3.570	10	10	KHCE	
CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)S2)cc1	102370869	GZDOOKZODKDSQM-DQEYMECFSA-N	576.704	3.578	10	10	KHCE	
COc1ccc(OC)c(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5cc(OC)ccc5OC)S4)CC3)=NC2=O)c1	1084186150	IXGQHFFBLUZTDE-MPKYGIEOSA-N	580.688	3.979	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865030142	DIGCYUKTWKMVRP-RUZDIDTESA-N	547.656	3.709	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CCO)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1865034279	SNLAFPAZTROUMF-HXUWFJFHSA-N	546.546	3.685	10	10	KHCE	
CC[C@](C)(NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868744638	NRADRBAXNUCHED-LJAQVGFWSA-N	543.730	3.790	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1	1873165116	CQBQCBOAMDHVIQ-UHFFFAOYSA-N	525.697	3.990	10	10	KHCE	
COCCn1c(C(=O)Nc2ccccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873650178	KLPHMVCMNNKRKV-UHFFFAOYSA-N	500.603	3.974	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	2297460068	AIIYYEQKUIEHBS-SFHVURJKSA-N	549.678	3.935	10	10	KHCE	
COC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	2313559718	OBEZEVDUIGHKLB-UHFFFAOYSA-N	711.044	3.877	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N21	96460388	ATWFRKAFOCVBIX-NYSGOHGYSA-N	519.004	3.809	10	10	KHCE	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)o2)cc1	1084203257	VMFUVFPPALETGF-UYRXBGFRSA-N	506.536	3.972	10	10	KHCE	
CC[C@H](NC(=O)c1cc(Cl)c(OC)c(Cl)c1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862058287	KMOIZDMUGFXQEQ-IBGZPJMESA-N	510.418	3.876	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864011747	KWWLUFAMBWEWSK-QFIPXVFZSA-N	512.994	3.540	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)c(OC)c1)=C(N)O2	1864014079	MYYMSQUEXSSMFN-QHCPKHFHSA-N	522.602	3.685	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@@H]2c1ccc(O)c(O)c1	1864015506	APZBEIIBQRSYKN-HSZRJFAPSA-N	522.565	3.869	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(OC)c3)CC1)=C(N)O2	1865030535	LTBBOIUZCMXCFS-VWLOTQADSA-N	547.656	3.709	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CCN)C(=O)OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1	1865032292	ZXGKBWPYDZBYGM-NRFANRHFSA-N	549.628	3.788	10	10	KHCE	
CCOC(=O)C1=C(C)C(C(=O)OCCOC)=S=C1NC(=O)c1ccc(-c2ccc3cnccc3c2)cc1	1866180920	GMVBZOHDMAFMMV-UHFFFAOYSA-N	518.591	3.750	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(Cl)c3)C(=N)N21	2297345564	HXIPXFNBIAEXBJ-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1	2297346098	COBMIQVMICPZKN-UHFFFAOYSA-N	512.613	3.854	10	10	KHCE	
O=C(CCC[C@@H]1[C@@H]2CCCN3CCC[C@H](CN1C(=O)c1cccnc1)[C@H]23)NCc1ccc(N2CCOCC2)cc1	2297643005	CGXGSPCPAFKJPG-MCUKGPOJSA-N	545.728	3.720	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1	15037989	ZPQWVXVKKKCPNC-UYRXBGFRSA-N	516.597	3.816	10	10	KHCE	
CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	110527260	LPRUXZYZLMBWIL-JCMHNJIXSA-N	569.684	3.580	10	10	KHCE	
CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1	248058880	POFBZVKJJPHBJM-TUAOVVRQSA-N	542.592	3.739	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4cc(C)ccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	252671629	NUXLLOLITFSSKL-AREMUKBSSA-N	512.635	3.721	10	10	KHCE	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccncc2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	1565533278	YVZIMSNIGZLLKR-QLCOJLISSA-N	530.675	3.790	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864007456	NFZCTQGZNNBVHB-RUZDIDTESA-N	512.566	3.654	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864016216	JSGFNGRTKHFNHU-DEOSSOPVSA-N	543.599	3.521	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865033293	WHPDILLNWZPNIN-RRQZXNHTSA-N	532.641	3.852	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2nccn2C)cc1	1866024557	RTKHOASHIBGZMC-CLJLJLNGSA-N	507.594	3.599	10	10	KHCE	
CC(C)[C@@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	1866753021	SLHGAJMGNZMWGX-ISKFKSNPSA-N	502.542	3.847	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc(Br)cc3)CC2)cc1	2328571071	AAZRHPCNOPZBEX-QFIPXVFZSA-N	516.461	3.721	10	10	KHCE	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1	103779026	QGDPCXBGZQQEKW-LGBOEXNSSA-N	622.750	3.830	10	10	KHCE	
CCOC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864007846	WFASGZUFAOABGK-RUZDIDTESA-N	540.576	3.780	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864012783	JAMUTAYAYHATCK-XMMPIXPASA-N	537.636	3.587	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C(N)O2	1865030434	JRRHRJKKHUTSRY-HSZRJFAPSA-N	538.048	3.964	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@@H]2CO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865032286	ZWELCHVYVPKUQT-RDGATRHJSA-N	538.604	3.688	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865033167	UCFVPHRNXDAFGC-QVKFZJNVSA-N	545.423	3.831	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865035448	UERAOQSSZHOZET-KXNSMUHISA-N	539.032	3.889	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(O)c(OC)c1	1865477606	JNLOFKXSNAFOMD-VWLOTQADSA-N	547.656	3.622	10	10	KHCE	
O=C(Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867087973	MHIBSJKDGKJHNM-LJAQVGFWSA-N	585.616	3.965	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1	1868629758	CIOANZRPAQVTHP-AREMUKBSSA-N	558.591	3.558	10	10	KHCE	
CCCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1	1870706293	ILOJYNGDBIURBG-UHFFFAOYSA-N	504.631	3.915	10	10	KHCE	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	101911280	UYWATLZDBWSNON-IRNZPVQPSA-N	530.693	3.820	10	10	KHCE	
C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1	102841594	PCLJWEZUOYANNR-PCXKXAPESA-N	527.649	3.952	10	10	KHCE	
CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N(C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N=[N+]=[N-])C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O1	198688292	IGTKSJOVOOVXQS-BVBNXBDOSA-N	874.726	3.939	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864012318	XPUJXLWKRZVILZ-RUZDIDTESA-N	530.556	3.810	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2	1864013028	OKPBALWXBJOBNM-HSZRJFAPSA-N	524.593	3.672	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@@H](CO)C2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865031778	NZOPYJGCOIIBEC-FOIQADDNSA-N	544.530	3.536	10	10	KHCE	
COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867759741	XKXSARWWARHEDE-FCHUYYIVSA-N	537.488	3.502	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1	1869123141	SUIXWIOYXIBDPN-RUZDIDTESA-N	517.678	3.944	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1	1871551159	LPTDDGHAFPBELA-UHFFFAOYSA-N	511.630	3.729	10	10	KHCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCN1CCN(C(=S)NCCc2ccccc2)CC1	2296740715	NTRQYFJNBKDTPV-UHFFFAOYSA-N	522.694	3.537	10	10	KHCE	
Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1	2297346350	XWNLMAUVFKHZAK-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)cc(Br)c1O	2313559318	WGUCWDFQOQAJND-UHFFFAOYSA-N	500.143	3.888	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314603350	OBZDCLPIDSZSSF-MRXNPFEDSA-N	569.101	3.905	10	10	KHCE	
CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCc3ccncc3)[C@@H](CCCO2)C1	67879158	DPYAEOYPUVPQKY-SVBPBHIXSA-N	570.738	3.589	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1	101397966	CMBNVKQGTUJLAX-AHJOEYRSSA-N	523.379	3.834	10	10	KHCE	
CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O	143341347	AHCLKHYTNFPIAK-XKZIYDEJSA-N	570.693	3.786	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)OC	1084408091	PHPCKDFNLVNPIH-NVNXTCNLSA-N	629.201	3.671	10	10	KHCE	
CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@H](CC(=O)NC(C)(C)C)[C@@H](C=CCO2)C1	1614475114	DJAXIOCGDMUUPE-RPWUZVMVSA-N	533.717	3.568	10	10	KHCE	
CCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858989766	QEHPETKJECHTJN-UHFFFAOYSA-N	533.606	3.821	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865029388	MFXPFJZQAHYYRO-DEOSSOPVSA-N	520.630	3.860	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865030445	JYNKMWLWLBNJKA-XVTZWQNCSA-N	536.604	3.765	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2	1865032803	LDUCDAOBMKLHIB-QFIPXVFZSA-N	549.628	3.571	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865124000	YNNQHSVWXFQAMU-RUZDIDTESA-N	531.657	3.859	10	10	KHCE	
[N-]=[N+]=NCc1ccc(C(=O)CCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)cn1	2049382327	FNTAQGUIISHKSW-UHFFFAOYSA-N	721.686	3.666	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3c(C)cccn3c2=O)SC1=S	100849915	HWBLMSQAFBOYHP-KOEQRZSOSA-N	607.758	3.682	10	10	KHCE	
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N(Cc3ccc(OC)cc3O)C2)nn1	1614305142	PHGDRGAHMIAYQB-OZXSUGGESA-N	541.608	3.500	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCc3cccs3)C2=O)cc1	1873169152	BSFHFQXBMZIRCG-UHFFFAOYSA-N	518.683	3.790	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1cccc(C)c1	2297345452	XQALZMSOJAHWOR-UHFFFAOYSA-N	519.004	3.857	10	10	KHCE	
Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314400406	LVQSHEUXPZQIDS-MRXNPFEDSA-N	543.717	3.851	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1OC	35638773	JJBCSQYDBSTSFT-YBFXNURJSA-N	503.558	3.938	10	10	KHCE	
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1	38645443	VRNMVFZZJYANHO-FXBPSFAMSA-N	501.077	3.713	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3=O)C2=O)ccc1OCc1ccc(C)cc1	101974435	LQVRGDHAQXQDNS-VNEPXBKZSA-N	623.734	3.763	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	102994678	GLBOLZDLYLYRSZ-LNKKFFRNSA-N	552.678	3.995	10	10	KHCE	
CCc1sc(NC(=O)C(=O)NCCc2cnc[nH]2)c(C(=O)OC)c1-c1ccc(Br)cc1	1860763264	BMJCDXZIZSBDLV-UHFFFAOYSA-N	505.394	3.547	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864010190	JQHNHYHVHHKLSU-DEOSSOPVSA-N	511.582	3.950	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1865026988	CJQBIUAFKLCXGU-VWLOTQADSA-N	534.613	3.787	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865028421	UPBQJFWMUJSBRF-QVKFZJNVSA-N	531.396	3.577	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865030976	WFJSGODAIMNOTE-AREMUKBSSA-N	545.684	3.771	10	10	KHCE	
Cc1nnc([C@H](CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1	1867024888	VFGWQKAAHXXIPK-KSFYIVLOSA-N	508.534	3.819	10	10	KHCE	
Cc1nnc([C@@H](CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1	1867024890	VFGWQKAAHXXIPK-ZHRRBRCNSA-N	508.534	3.819	10	10	KHCE	
CC[C@](C)(NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692102	WBFMXCBOERNDDD-RNAHPLFWSA-N	521.658	3.984	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN[C@H](c3cn(C)c4ccccc34)C2=O)n1	1869134398	GPERUMLFPFRIJO-GDLZYMKVSA-N	525.657	3.543	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CC(C)(C)c6ccccc6[C@@H]5C4)nc(C)n3)CC2)cc1	1869299952	IJXBGFZBCZNXIS-SANMLTNESA-N	512.658	3.801	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)NCc4ccco4)cn3CCC(C)C)CC2)cc1	1870538764	YFTDNXPFRLMIBY-UHFFFAOYSA-N	522.646	3.513	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCN(CC)CC)ncnc21	1875212373	WKNUUXUAOQDYCN-UHFFFAOYSA-N	507.683	3.956	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	2297461107	XWTIQIBHACHKLR-IBGZPJMESA-N	522.652	3.738	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2	1864017521	OEDOZWXZMSQXAQ-UTWCCKMFSA-N	542.636	3.740	10	10	KHCE	
CCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)CC1	1865029341	KZJZUZRNUKBIRG-SANMLTNESA-N	525.609	3.604	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC)CC1)=C(N)O2	1865029936	YTGICUUNUALLSX-HSZRJFAPSA-N	538.048	3.748	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867791341	OTRHBJYEJRSEPO-LITSAYRRSA-N	580.730	3.739	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868821014	JCIYLUCBXHJKPI-KYJUHHDHSA-N	544.671	3.875	10	10	KHCE	
CCCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868821890	QFDFMLWNKPONTM-KAYWLYCHSA-N	510.654	3.823	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)n4nc(C)cc4n3)c3ccccc3)CC2)cc1	1868985603	OSAKVMFNMYFJAJ-MUUNZHRXSA-N	524.625	3.744	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3cccs3)CC2)cc1	1874643310	WBQADEGUUNLRGB-AREMUKBSSA-N	502.640	3.857	10	10	KHCE	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Cl)c1	2296938948	XUURBTCDPDHEPC-UHFFFAOYSA-N	505.756	3.518	10	10	KHCE	
CCC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	2297497924	JCDCIZUEKPGDHF-SJKOYZFVSA-N	557.930	3.676	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc(Br)c1O	2323809153	DIAMTRXTRQESKI-AWEZNQCLSA-N	510.387	3.766	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(Nc4nc5ccccc5n5cnnc45)cc3)CC2)cc1	101361673	SPNBBEDEOYMZFL-UHFFFAOYSA-N	536.640	3.972	10	10	KHCE	
CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	110391398	RCTWOUFFXSOEQO-MTJSOVHGSA-N	538.651	3.972	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	1084052421	PBYZDOBNNNGGSZ-HHHXNRCGSA-N	571.655	3.911	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864013266	UOVFNIMIXJBNDY-DEOSSOPVSA-N	529.572	3.824	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865028877	AFVPDQOBENUBBK-WAIKUNEKSA-N	539.032	3.815	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865030541	LUBIZMCGQSCRSY-VWLOTQADSA-N	532.641	3.529	10	10	KHCE	
CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCN(c4ncccn4)CC3)n2)cc1	1867996156	WYKRLKQSJCCLGV-UHFFFAOYSA-N	552.683	3.994	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868816228	GZZMZMJLDUJMHG-LOYHVIPDSA-N	560.670	3.581	10	10	KHCE	
Cc1cc(C)cc(OCCN2C(=O)C(NCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1	1873170317	VIGQFTSFZGCAJC-UHFFFAOYSA-N	542.680	3.792	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)cc1C	2297345336	NWHPXBCLWFLFEI-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1Cc1ccccc1	254748490	CBQSOYWEXSKJLQ-UHFFFAOYSA-N	582.707	3.773	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864013091	PWFUWRVGKZZOQI-XMMPIXPASA-N	546.603	3.532	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864018050	BOUBYLUKXJITKA-JOCHJYFZSA-N	504.518	3.648	10	10	KHCE	
C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1865033562	CRQAZXHMUINFEQ-SCLBCKFNSA-N	515.492	3.793	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3OC)CC1)=C(N)O2	1865038677	XHHCYSOWRRVDMR-VWLOTQADSA-N	547.656	3.565	10	10	KHCE	
CCCOC(=O)COc1cn(Cc2cccc(C)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870331449	CRKVAPNCPLZCBT-UHFFFAOYSA-N	519.642	3.868	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314764807	MUNQTSFBFDCPJF-UHFFFAOYSA-N	606.520	3.632	10	10	KHCE	
CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	39991342	DRNIMPCGUQROAR-QAQQXZLWSA-N	530.716	3.822	10	10	KHCE	
O=C1/C(=C\c2ccc(/C=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3N3CCOCC3)cc2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1	150644938	SQIDJMNETFFMHN-DWVPNOFWSA-N	678.662	3.655	10	10	KHCE	
CCCCc1ccc(N2C[C@@H](C(=O)N[C@@H](CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	1862166345	DKDSAZPOGYIHRH-HOFKKMOUSA-N	520.674	3.634	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCN2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008106	BYEOULIKIMGJAC-RUZDIDTESA-N	517.630	3.587	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864011839	LYPNUEXMOREOMM-VWLOTQADSA-N	519.646	3.502	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864016701	VQBDDCJBOVIZQO-QFIPXVFZSA-N	500.530	3.979	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970103	NJKUUKXTUSCRML-UHFFFAOYSA-N	514.586	3.872	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCO)[nH]c(=Nc4cc(C(C)C)cc(C(C)C)c4)[nH]3)CC2)cc1	1871674018	KILBGXNCYIQGCD-UHFFFAOYSA-N	519.694	3.835	10	10	KHCE	
COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)c(OC)c1	2296710637	HTYHKXPPBCYQHY-UHFFFAOYSA-N	511.625	3.917	10	10	KHCE	
O=C(O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	2313558484	BYAJGQVWUMXWAY-UHFFFAOYSA-N	513.728	3.536	10	10	KHCE	
CCc1nnc2sc(-c3cccc(NC(=O)C=Cc4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12	2313785068	IRMNFVVCWZBCCQ-UHFFFAOYSA-N	505.560	3.812	10	10	KHCE	
CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	40066832	QGNVQCLXTFYULY-BKUYFWCQSA-N	512.657	3.907	10	10	KHCE	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	101062895	VBTKEQHJUUOGFR-RONKMWSCSA-N	541.676	3.800	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1	103468268	WQVQEUVWTZPCAX-PDGQHHTCSA-N	546.677	3.792	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865197124	CWZRZXNITXFHOE-RUZDIDTESA-N	531.657	3.922	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(C)c3C)CC2)n1	1867952939	GEYYDNOXLUZPND-UHFFFAOYSA-N	516.690	3.944	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccccc4C)oc3C)C(C)C)CC2)cc1	1868629777	CYTLMPSAQDVBFA-HHHXNRCGSA-N	504.631	3.999	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	2296038168	AEJUHQARWADPLL-UHFFFAOYSA-N	509.518	3.775	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=N)N21	2297345699	SZYOAPDXMXUQGE-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCc3ccccc3)[C@@H](/C=C/CO2)C1	100035281	MCQLCJUASPDEFA-WZEDXIIMSA-N	567.734	3.970	10	10	KHCE	
COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3c[n+](N(C)C)no3)c2C#N)cc(OC)c1OC	104829334	BMTMSYAGAZJJFS-UHFFFAOYSA-O	547.617	3.517	10	10	KHCE	
[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@H](n2ccc(O)nc2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	504697721	LMCOBFDRFKDIJU-UBRKHCEVSA-N	597.540	3.793	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2	1864013591	DFDKEPSWKCOEGH-XMMPIXPASA-N	537.580	3.518	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019569	MOTPUJMCJSKLQT-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865033582	CYIYJNNQKGTTAQ-JOCHJYFZSA-N	504.587	3.943	10	10	KHCE	
C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867779104	CGBWYBRDZNSGSA-ZBLYBZFDSA-N	536.677	3.723	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=NCc4ccccc4F)[nH]3)CC2)cc1	1871467655	CBEISGZSJWNVDH-UHFFFAOYSA-N	517.584	3.553	10	10	KHCE	
O=C1C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1Cl	2040469559	CGNPMTXKLMAARE-CQSZACIVSA-N	505.042	3.645	10	10	KHCE	
COc1cc(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC	2313561115	VQAWWJUYGIQDNU-UHFFFAOYSA-N	557.138	3.737	10	10	KHCE	
CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O	33812713	DFTOWBWTIALPQX-KQWNVCNZSA-N	521.712	3.982	10	10	KHCE	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3OC)C2=O)cc1	1084519267	LIZLMFUWERWLKU-DHDCSXOGSA-N	618.165	3.970	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2	1865026995	CMLVCQZBWBGPIX-SANMLTNESA-N	508.578	3.931	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@@H](C)C1)=C(N)O2	1865027160	VFZIFCOFSPDRBZ-NPGVVQFXSA-N	525.005	3.635	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1865031831	PBANDFBQASUGSV-XMMPIXPASA-N	541.608	3.661	10	10	KHCE	
COc1cc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC	1867342522	HKLKNIGHJVKXAC-JWQCQUIFSA-N	572.772	3.973	10	10	KHCE	
CCCOC(=O)COc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870331729	ODRAQRHGIUXARC-UHFFFAOYSA-N	523.605	3.699	10	10	KHCE	
O=C(O)c1ccc2c(c1)C(=O)O[C@@]21c2ccc(O)cc2Oc2c1ccc(O)c2CNC(=O)C(F)(F)F	2069559159	LBZATPLVMCQVCD-HSZRJFAPSA-N	501.369	3.543	10	10	KHCE	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)c2)C[C@@H](C)O1	2296544420	BLXRCFOVPGNACL-QZTJIDSGSA-N	598.728	3.623	10	10	KHCE	
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	2314413942	LYLXKLNEGIQVNB-JOCHJYFZSA-N	594.784	3.850	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1	59250212	SOCJZPNKZRVQBQ-BKUYFWCQSA-N	502.479	3.647	10	10	KHCE	
Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1	100850362	CAMUNFWPOTXNRT-JPOGYNCRSA-N	533.679	3.667	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3c(C)n(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=N)N21	104561749	BBQGKLAFPMGJJY-MJSBPXROSA-N	535.607	3.738	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1	526564698	BRIMBVLOLZWRQX-VWLOTQADSA-N	521.522	3.975	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	1864008142	DDWZFVIVOWPTJY-RUZDIDTESA-N	512.566	3.920	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864012614	FHOZWILCTYOOMD-DEOSSOPVSA-N	511.582	3.701	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2	1864017140	GJIGYXIZSHJFPX-DEOSSOPVSA-N	512.566	3.866	10	10	KHCE	
CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019584	MUOIJXUXQIYWMO-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3ccc(O)c(O)c3)CC2)c1	1865032273	ZSBDSWRGSHHEPH-VWLOTQADSA-N	537.620	3.850	10	10	KHCE	
CCc1nn(C)c2c1[C@@H](c1cn(C)c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865364478	RUJYKKJQVCZNCW-RUZDIDTESA-N	526.641	3.526	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)NCc5ccccc5)[nH]c4c3)CC2)cc1	1872824713	IOCCERWLKLVWCG-UHFFFAOYSA-N	515.639	3.942	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(OC)c3)CC2)cc1	1874642901	PWFWVWQBZSRLBE-MUUNZHRXSA-N	512.610	3.875	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4cc(C)ccc4OC)c3)CC2)cc1	3024977	PLIQSDBSPIUCJM-UHFFFAOYSA-N	513.591	3.915	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3N=C(C4CC4)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	104709554	YEUOGZHSLUCTQX-QKVDKRGOSA-N	549.638	3.720	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)COc3cccc(C)c3C)CC2)cc1	1862192204	GEEAYWQZYQDKRF-MHZLTWQESA-N	519.617	3.906	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccs2)=C(N)O3)cc1	1864021579	CVNXMHSLYDYYLN-FQEVSTJZSA-N	504.568	3.579	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C(=O)OCC)CC1)=C(N)O2	1865029588	QUMDVNQRVQUNHO-DEOSSOPVSA-N	546.624	3.732	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3csc(COc4ccccc4)n3)C(C)C)CC2)cc1	1868593487	UMRGSVNQNKMBFB-MHZLTWQESA-N	522.671	3.763	10	10	KHCE	
COc1ccc(C=C2SC(N3CCN(C(=O)CCN4C(=O)C(=Cc5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1	2297456609	QGDPCXBGZQQEKW-UHFFFAOYSA-N	622.750	3.830	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OC	2313559524	ZMQHEATUYWBPIR-UHFFFAOYSA-N	526.327	3.669	10	10	KHCE	
O=C1C(=Cc2ccccc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	2314603337	KXVMUHBANABGMI-MRXNPFEDSA-N	539.075	3.896	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1	40927779	SOLFLSRUGFUNDY-HMMYKYKNSA-N	506.646	3.933	10	10	KHCE	
COc1cc(C(=O)N/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCc3ccccc32)cc(OC)c1OC	104810780	SRHOYSXLERARKH-LFVJCYFKSA-N	604.685	3.682	10	10	KHCE	
Cc1ccsc1CN(C(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	207324882	PUKIXHKQUGMJQJ-UIMCMNAESA-N	520.723	3.864	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1	1862284740	JYOJQMHDKFSXEH-VWLOTQADSA-N	520.561	3.741	10	10	KHCE	
CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	1864011406	UHCIIYPTMRUGNI-AREMUKBSSA-N	527.625	3.898	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2	1864018836	RSLCBBURQOSLBQ-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865030658	OEOJRCKGHZMTFO-RUZDIDTESA-N	549.647	3.683	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3F)c2O1	1865032226	YHAYWDSTXZMHLI-DEOSSOPVSA-N	542.567	3.702	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867508330	XSQMGZOVHPQGMC-KAYWLYCHSA-N	561.727	3.999	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccco4)on3)CC2)cc1	1868636199	MTUKPZBDIGBGGL-DEOSSOPVSA-N	518.545	3.772	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](CC)C(=O)O	2314934641	JEMNWZBZQDTHGD-MRXNPFEDSA-N	531.568	3.782	10	10	KHCE	
CCc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	104560114	TYMWLVSFLAUMTI-NSNCLKJASA-N	533.031	3.981	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	207328103	VTSDJDCNWPBROX-IOVUBPJKSA-N	536.672	3.924	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864008264	GUMGTSTVTCBBMI-DEOSSOPVSA-N	538.048	3.932	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2	1864018165	DRPBQMFKZFKATI-VWLOTQADSA-N	536.592	3.776	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864022049	JMHCZRGVQSYMHA-QHCPKHFHSA-N	528.565	3.527	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029087	FTMPMZIMCQJZOZ-SAHWJRBASA-N	504.587	3.566	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1	1865033114	SDHPASQXBKQTAY-RUZDIDTESA-N	548.640	3.791	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1cc(C)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865204670	PNAVNIZTRYVSIH-DEOSSOPVSA-N	517.630	3.531	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1cn(C)c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865364479	RUJYKKJQVCZNCW-VWLOTQADSA-N	526.641	3.526	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867518368	NZKMACYIGTXIIY-FQLXRVMXSA-N	591.753	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)C(C)C)CC2)cc1	1868645007	GRWHTERRPBNLKC-AREMUKBSSA-N	508.594	3.830	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)Cc3ccc4nc(O)c(Cc5ccccc5)cc4c3)CC2)cc1	1868926998	YNFGFQRRHGWMFR-UHFFFAOYSA-N	524.621	3.547	10	10	KHCE	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)cc3)C(=N)N21	2297345492	BPHKCBQHIUGNJA-UHFFFAOYSA-N	502.599	3.615	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1F	2297345658	PXOSTKYJYLOSIQ-UHFFFAOYSA-N	516.576	3.815	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	2297461108	XWTIQIBHACHKLR-LJQANCHMSA-N	522.652	3.738	10	10	KHCE	
CCn1c(=C2C(=O)N(c3ccccc3)N=C2Nc2ccccc2)sc(=C2Sc3ccccc3N2C)c1=O	254378583	RYSOXNAHYHAEOR-UHFFFAOYSA-N	525.659	3.861	10	10	KHCE	
COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1	526564697	BRIMBVLOLZWRQX-RUZDIDTESA-N	521.522	3.975	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1	1864011347	HDSQVKQUKCRYBL-SANMLTNESA-N	544.583	3.852	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018702	AMTASNDOZHNUTI-JOCHJYFZSA-N	527.021	3.794	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)Cc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1	1865026853	BOZGPLXFOOMTOY-VWLOTQADSA-N	512.566	3.954	10	10	KHCE	
CCCC[C@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867043785	VJRWQJGYJXZMCE-FQEVSTJZSA-N	530.610	3.516	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1	1867831269	UCXHKHOSPYZIMF-WDYNHAJCSA-N	604.664	3.959	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3cccc(Br)c3)c3nccs3)CC2)cc1	1868891345	ZLXWKIWITPNGHT-QFIPXVFZSA-N	543.487	3.901	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccc(F)cc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1	1871650828	HJPHUYMELBAZJS-UHFFFAOYSA-N	513.621	3.896	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccccc1Cl	2297345093	PYMSMMATDWHVGI-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S	33812535	PDHOBADXGOJGBP-KQWNVCNZSA-N	519.696	3.758	10	10	KHCE	
NS(=O)(=O)c1ccc(CN2C(=O)/C(=C\c3cc(Cl)cc(Br)c3O)SC2=S)cc1	1858588422	DTOSXILELGMSSM-MKMNVTDBSA-N	519.851	3.857	10	10	KHCE	
CC(C)(C)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1858662777	BIAVDNQGHWRNHQ-UHFFFAOYSA-N	519.579	3.635	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc4c(c2)OCO4)[C@H]3c2ccc(O)c(O)c2)cc1	1864008519	LWEGCXJIWUQJPV-VWLOTQADSA-N	526.549	3.640	10	10	KHCE	
Cc1ccccc1CN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)CC1	1865029047	DVPPNNWTHQCFNR-SANMLTNESA-N	531.657	3.606	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865035705	ZPIFAAAJIAFCDP-MUNMYPBESA-N	543.668	3.819	10	10	KHCE	
CCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867295142	PVBPHYSVORYAHO-RRPNLBNLSA-N	508.663	3.920	10	10	KHCE	
CC(C)CN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867416678	DSCUKCNKINBBTJ-MHZLTWQESA-N	561.727	3.856	10	10	KHCE	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867897769	HMMHTBQCUKIVKN-GAJHUEQPSA-N	502.015	3.776	10	10	KHCE	
CCOC(=O)CCCOc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870371588	KYEKLAXIWKXQER-UHFFFAOYSA-N	509.603	3.543	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3Cc3cccc(C)c3)CC2)cc1	1870477944	HPFFDJSYCKCMPM-UHFFFAOYSA-N	519.642	3.866	10	10	KHCE	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1OC	33757929	OQXLHQLCIPSKEQ-HBDRGQTGSA-N	513.535	3.985	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)O[C@H](C)C3)SC2=S)cc1	39989617	JSXWPOVCOJUFAW-XKEKEHRLSA-N	524.668	3.589	10	10	KHCE	
COC[C@@H]1CCCN1c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)N(C)CCc3ccccn3)[C@@H](CCCO2)C1	67878967	GHAQQMDRJFRPLT-JCGRVDTESA-N	577.770	3.515	10	10	KHCE	
Cc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1	100850884	YDLUBHIEPLRNCT-LZNAANCOSA-N	529.690	3.542	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4\C(=O)Nc5ccccc54)S3)s2)cc1	206384717	FXCHRSKMAWQBGV-ISLYRVAYSA-N	566.646	3.850	10	10	KHCE	
CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1	1864014794	CPWKJDDNCSZBKC-KPZWWZAWSA-N	502.493	3.985	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCCOC(C)C)=C(N)O3)cc1	1864016917	AIAYCUDVESOSED-QHCPKHFHSA-N	536.629	3.862	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)CC1	1865026208	KAINCDOZDHGPRW-DEOSSOPVSA-N	538.048	3.553	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865030856	SSAAAQMFSVSOSA-JOCHJYFZSA-N	545.011	3.623	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865552650	HAHNVLVSICKIIE-HSZRJFAPSA-N	505.594	3.657	10	10	KHCE	
COc1ccc(CCCC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC	1866780089	SOQLVKGTQHTGQE-QGZVFWFLSA-N	500.551	3.945	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868624498	RRYXDYWOOBRWCJ-HHHXNRCGSA-N	563.120	3.526	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1	1873167830	ZMHGXDSFEOYIFF-UHFFFAOYSA-N	503.691	3.734	10	10	KHCE	
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874016528	FPXNTNDEDURWOA-CPJLOUKISA-N	510.550	3.984	10	10	KHCE	
Cc1cc(C)cc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	2297345244	FPXQIKZHYHLADU-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1cccs1	2297345402	TULPLBIHDISDOM-UHFFFAOYSA-N	539.016	3.641	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	2326513472	CCIJISAUNLONCI-AREMUKBSSA-N	529.641	3.565	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)=C(N)O2	2326540962	KHVWRWSPEBDCNM-AREMUKBSSA-N	543.668	3.819	10	10	KHCE	
Cc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(Cc6ccccc6)SC5=NC4=O)cc3)nc2s1	33356547	YUZQCABDZKTPQD-QSVRQFOGSA-N	541.618	3.900	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1	101398672	LNPYEINHENGQPD-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O	110522875	WVPNSPDKRLLZIS-SSHUPFPWSA-N	549.722	3.755	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	207308679	GQNZASNXPPNNHJ-KMUCBOENSA-N	589.761	3.696	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864008458	KQTDRFMCQQEBIO-HSZRJFAPSA-N	526.037	3.788	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864022039	JGWXMVOQHPPBFL-XIKOKIGWSA-N	518.492	3.914	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1	1865028471	VSPTXBXIKHDJEE-DXMSMQRWSA-N	504.587	3.800	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031673	LUXQBBIHNUGZDK-SFHVURJKSA-N	500.477	3.928	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1	1865883770	JDLWBIKSEBUNBD-MHZLTWQESA-N	511.626	3.901	10	10	KHCE	
O=C(O)CN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3I)cc2)SC1=S	2297325004	RYIHRMGNQOGLPJ-UHFFFAOYSA-N	525.345	3.796	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1	2297460074	FFTVUCZDAOYGHV-UHFFFAOYSA-N	541.699	3.815	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314764694	JWIRLYPWTGPHAF-UHFFFAOYSA-N	626.938	3.895	10	10	KHCE	
CCN1CCN(c2c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1	33479048	QXNBXUQUYSMFGT-HAVVHWLPSA-N	521.712	3.634	10	10	KHCE	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CN4C(=O)/C(=C\c5cc(OC)c(OC)c(OC)c5)SC4=S)CC3)=NC2=O)cc1	96022329	HRQXQAYRBHZWQU-DFEHQXHXSA-N	654.792	3.737	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccccc1	104559060	IGXOVVQSNMVEGX-ARFHJRQPSA-N	530.653	3.878	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)O)cc1	1084565927	IPRLQNGTCDVQGL-JAIQZWGSSA-N	530.489	3.758	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1865032091	VKFUYUJADGGRDD-XMMPIXPASA-N	541.583	3.681	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2)N2CCCCC2)cc1	1867603112	KGNBVFSXTZUOFG-VMPREFPWSA-N	577.751	3.939	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4ccccc4C)n3)CC2)cc1	1869146854	HQBJKYQCTVVPTC-UHFFFAOYSA-N	512.658	3.846	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCN(C)C)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1	1871504875	LXRHMSIIDMMNOF-UHFFFAOYSA-N	504.683	3.859	10	10	KHCE	
CCCCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873552088	GHNGLSSXJLNLAG-OYRHEFFESA-N	506.651	3.816	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	2296732339	XFTWQPPSACJMKW-OAQYLSRUSA-N	565.696	3.849	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	2296928060	OYXYYYFFQVKIPE-UHFFFAOYSA-N	564.689	3.884	10	10	KHCE	
O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1	16907912	MXODAMHNRSFTAC-LFIBNONCSA-N	507.387	3.849	10	10	KHCE	
CCCCCCN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	34806725	PAAQVNUEMHYUTP-HTXNQAPBSA-N	529.688	3.755	10	10	KHCE	
CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(I)o3)C2=O)c1	1083863515	BBCPHBSMBXOQSP-GHXNOFRVSA-N	531.100	3.712	10	10	KHCE	
CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862006772	VGJJOZMMICHLHO-BKMJKUGQSA-N	513.082	3.804	10	10	KHCE	
Cc1cc(C)cc(OCCNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)c1	1864009831	LGPSKRQKNHDYNQ-XMMPIXPASA-N	506.603	3.765	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O1	1864015565	CGZABWMLYKIFOG-QFIPXVFZSA-N	532.984	3.797	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1	1864022002	IGEMGICQGCKWPG-KRWDZBQOSA-N	506.456	3.873	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867689482	FCDSEKKLOULYMH-URLMMPGGSA-N	634.243	3.669	10	10	KHCE	
COc1cc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC	1867804144	MQDNCXIMNWZURN-ILBGXUMGSA-N	587.743	3.873	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H](C)CC)C2=O)CC1	2297461322	SETRTPVYLIDGGF-MRXNPFEDSA-N	514.673	3.782	10	10	KHCE	
CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCN5C(C)=O)n3)cc21	11858002	UQVYYEZVOJGRBU-UHFFFAOYSA-N	512.613	3.655	10	10	KHCE	
COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)c4ccc5c(c4)OCO5)n3)CC2)cc1	13654617	RUTHIEFNEIBLLH-UHFFFAOYSA-N	511.625	3.747	10	10	KHCE	
CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	40066731	UKCGXAZSYZQVOZ-ZHZULCJRSA-N	510.641	3.769	10	10	KHCE	
COCCCNC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O	40892721	QZEFKAHWGBVPFM-UHFFFAOYSA-N	513.502	3.844	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCCOC(C)C)nc12	102863076	CADFJQCUOYFEQL-HNMKQIAWSA-N	502.662	3.610	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=N)N21	104558444	COTFRWVDCRPRHR-LSZLNTRYSA-N	528.015	3.995	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1	105451005	LMJIPQJMRXKJPA-QNGOZBTKSA-N	549.678	3.683	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cc(C)n(-c4cccc(Cl)c4)n3)CC2)cc1	1861885588	VUSXOSWXDTZWLA-VWLOTQADSA-N	508.022	3.796	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1	1864022042	JLHHMBUKNYPPIU-IDKVVNDQSA-N	548.562	3.618	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(OC)c3)CC1)=C(N)O2	1865036794	JQZDNJUEMKSUON-RUZDIDTESA-N	547.656	3.565	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3cccs3)CC2)cc1	1865328206	MVXXBIZOXFCIDM-KRWDZBQOSA-N	519.549	3.552	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccc4oc(O)nc4c3)CC2)cc1	1868968824	PRFHYHUTQCMQRW-VWLOTQADSA-N	546.649	3.923	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296732211	IZQRMDAQUPPCGA-UHFFFAOYSA-N	553.685	3.706	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N21	2297345686	RXYVXJKHHMKWDN-UHFFFAOYSA-N	519.004	3.809	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccc(F)cc3)CC2)cc1	2328573361	XLUPHHJWKSSMGK-HHHXNRCGSA-N	503.574	3.629	10	10	KHCE	
CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O	101969258	SSSWUCCSVJIIQN-QNGOZBTKSA-N	549.696	3.839	10	10	KHCE	
CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](Cc4ccc(O)cc4)(C(=O)O)[C@@H]3C2=O)cc1	251992291	JJWSBXRUCDAVSX-TVQWTUMOSA-N	565.420	3.939	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC	252676069	VXGGCCBFYKUIBR-MHZLTWQESA-N	571.655	3.913	10	10	KHCE	
CCc1cccc(C)c1N1C[C@@H](C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O	1862174449	OTVPLCPZGYXFJC-YUDQIZAISA-N	520.674	3.553	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C(N)O2	1865029443	NHPZZBMTKSWLFH-XMMPIXPASA-N	538.048	3.956	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3CCCN(C)C)CC2)cc1	1870608974	YUSHJHHQLOJEPS-UHFFFAOYSA-N	520.674	3.718	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(F)cc1	104563438	XOXNXYXMHFUNIY-YBVABLQOSA-N	544.586	3.843	10	10	KHCE	
Nn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccc(Br)cc1	105156925	RQKRGROFAINWKX-UHFFFAOYSA-N	534.395	3.928	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	105649845	FCWBGWLFEKRUFR-NKULXKGLSA-N	550.662	3.747	10	10	KHCE	
O=C1/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	110073335	KKXSBJHUKZZSJR-VLZCYVRTSA-N	580.757	3.542	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	207327520	LVDOLONIHDFFQD-KNGGAZFVSA-N	518.682	3.785	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1	575338520	HGBZBLPEFVMINN-HVGZVGTCSA-N	772.638	3.522	10	10	KHCE	
CCCOc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1	1858958718	IXKHTMHXTYSONW-FRKPEAEDSA-N	509.584	3.865	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCN(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864013891	IEQAYOOYUHMBAN-XMMPIXPASA-N	525.609	3.631	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)=C(N)O2	1864014563	YJFFLTKHKJCFRS-IQMFZBJNSA-N	522.602	3.856	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC[C@H]1COc3ccccc3O1)[C@@H]2c1ccc(O)c(O)c1	1864016651	UTUVQPMBOOPNRN-YADARESESA-N	540.576	3.632	10	10	KHCE	
CC(=O)Nc1nc(-c2cccs2)c(CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	1868131991	NOFGGMDDOIHUMR-UHFFFAOYSA-N	544.614	3.903	10	10	KHCE	
CCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1	1875233335	WQJBVYODKJIGPL-UHFFFAOYSA-N	518.618	3.882	10	10	KHCE	
CCSC1=NSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=N)N12	2297345094	QAJAXWZZQHXKIE-UHFFFAOYSA-N	502.599	3.793	10	10	KHCE	
Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1C	2297345832	GYRLBKWQAXUPKZ-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC	2297477445	NZDGSZATJJUREI-UHFFFAOYSA-N	502.570	3.728	10	10	KHCE	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	2297509084	UJMPXOGECPZMJP-SZPZYZBQSA-N	576.719	3.969	10	10	KHCE	
COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	2297578871	CKEYGXSNCUOZMS-LJQANCHMSA-N	511.650	3.936	10	10	KHCE	
Cc1ccc2nc(N3CCN(CCO)CC3)c(C=C3SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(=O)n2c1	2314401221	VLOPEPNIVJCTSF-UHFFFAOYSA-N	615.822	3.914	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OCCC(=O)O	2314933133	UDWSOZCTWYPXST-UHFFFAOYSA-N	537.413	3.857	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	256044394	UYWATLZDBWSNON-HEVWINDRSA-N	530.693	3.820	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864008454	KPHFAONZNVYXIU-DEOSSOPVSA-N	500.530	3.801	10	10	KHCE	
NC1=C(C(=O)NCc2ccncc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864015735	DRZAGILZPNMTBP-XMMPIXPASA-N	532.560	3.752	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccc(OC)c3O)CC2)cc1	1865107388	SWJSHTWOPBOUSN-RUZDIDTESA-N	547.656	3.614	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1	1869118078	WMHVFLWRWPTUHM-JOCHJYFZSA-N	517.630	3.723	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	2296545971	DNDJXFVTDLNSGP-UHFFFAOYSA-N	567.668	3.535	10	10	KHCE	
CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O	2297461116	ZVDCQPUCZBRNCX-KRWDZBQOSA-N	510.641	3.596	10	10	KHCE	
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(N3CCOCC3)o2)C1=O	2313562309	LVFMTPLHDSOBCQ-UHFFFAOYSA-N	539.180	3.616	10	10	KHCE	
CC(=CC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(S(=O)(=O)N(C)C)c1	2331927679	MDFCPXZBTXNHIJ-UHFFFAOYSA-N	559.644	3.649	10	10	KHCE	
CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S	39989866	VBQCJWAEJIFUJT-STZFKDTASA-N	511.648	3.735	10	10	KHCE	
CC(C)COC(=O)CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCC(C)C)C2=O)SC1=S	102410043	KTVAEVWOBVNVBU-ZCXUNETKSA-N	546.758	3.877	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	205692478	JJHDDEWVJRVTLJ-XMHGGMMESA-N	534.641	3.643	10	10	KHCE	
CC(C)Oc1cccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1	1859006505	CWUGQJOEAJAQHE-OVCLIPMQSA-N	523.611	3.905	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864017057	DMKLZVRIZKKGJD-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@H]2CO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865032287	ZWELCHVYVPKUQT-WIOPSUGQSA-N	538.604	3.688	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCOCC2)[C@@H]3c2ccc(O)c(O)c2)c1	1865033891	JWOTVDPGZHJQPN-HXUWFJFHSA-N	544.530	3.532	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1	1868609347	UAUTXOBACKAJDC-NDEPHWFRSA-N	544.627	3.651	10	10	KHCE	
O=C(COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO	1871261408	DWKCRPUYPMOCDN-UHFFFAOYSA-N	502.571	3.723	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1	1873419042	MCVBLPAXHOUGSX-QFIPXVFZSA-N	519.623	3.869	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N	33394199	CLIHJLUCGBKDFP-OEAKJJBVSA-N	521.712	3.745	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N	33813435	KSXNXLHEOXNLMD-RGEXLXHISA-N	502.662	3.792	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=N)N21	101395062	NXMABFSOTUTAIY-VZKFJVGXSA-N	542.639	3.781	10	10	KHCE	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1	102596744	KMDOHDNBRCFCGG-FMFOLGPSSA-N	504.616	3.579	10	10	KHCE	
CCOC(=O)C(=O)[C@@H](C(=O)OCC)[C@@H](c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O	105679447	MEITZJXJAUZFIH-HKUYNNGSSA-N	501.329	3.540	10	10	KHCE	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1	248378910	LALURXDCOGHXHY-FAWUNYRSSA-N	549.377	3.788	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864008622	OPHHQKHUQVZHFF-RUZDIDTESA-N	514.557	3.844	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864015891	FUZZRMCKZVJPMX-XMMPIXPASA-N	544.583	3.996	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864017134	GDSJSFFPMPHXAS-NRFANRHFSA-N	546.455	3.915	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1865027892	NDODKERXQLPVNX-JOCHJYFZSA-N	512.994	3.561	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3cccc(C)c3C)CC1)=C(N)O2	1865030904	UEAZLOCORJAHON-RUZDIDTESA-N	531.657	3.927	10	10	KHCE	
COc1ccc(-c2nc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1	1868134762	WMTKOGMGXDXKDL-UHFFFAOYSA-N	509.518	3.731	10	10	KHCE	
CC[C@@](C)(NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868594601	ZUIODIHFALXISZ-MUUNZHRXSA-N	522.671	3.907	10	10	KHCE	
O=C(COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO	1871263228	QOXLUWYCLKDKSY-UHFFFAOYSA-N	513.598	3.525	10	10	KHCE	
CCCCOCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2CC)[nH]1	1871555938	LSIXEACOISUJEM-UHFFFAOYSA-N	519.694	3.975	10	10	KHCE	
CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)CC1	1873162470	WTDPHGDZJSNXRY-DEOSSOPVSA-N	520.630	3.564	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1	1873169254	HIBKTUWIPIMQMZ-UHFFFAOYSA-N	519.609	3.848	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1	2296539382	SHJBJYYLZWZFHY-UHFFFAOYSA-N	509.609	3.828	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)cc1	2297345209	CBKFAQLTDWWITC-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314767725	HPJYRHGRJVFDPA-OAQYLSRUSA-N	607.504	3.722	10	10	KHCE	
C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)C(=O)O	2314837351	RCYZOCYBOPYKMN-LLVKDONJSA-N	501.424	3.506	10	10	KHCE	
CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O	33467698	SUMFBRJBJDTKQW-LUJYGJGBSA-N	507.685	3.763	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC	35638775	RFLHVCSHUDRWND-YBFXNURJSA-N	503.558	3.938	10	10	KHCE	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	101746092	KDRGTXGDQHMVLY-KGENOOAVSA-N	620.547	3.940	10	10	KHCE	
COc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	103813850	HEGMGQRMVQZOBB-MDWZMJQESA-N	588.139	3.879	10	10	KHCE	
COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1	104562006	YTGSCQYFQNIVCJ-MXRTVKJZSA-N	542.639	3.800	10	10	KHCE	
N#Cc1nc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)oc1N1CCN(Cc2ccccc2)CC1	213216996	HPNNABICJKGEAF-QRVIBDJDSA-N	545.646	3.999	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864009052	YKOWFISLQCILCS-RUZDIDTESA-N	519.646	3.833	10	10	KHCE	
CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)CCO)=C(N)O2	1865030048	BATJRSYLJBPQNN-DEOSSOPVSA-N	514.582	3.535	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cccc(Oc3ccccc3)c2)N2CCCCC2)cc1	1867700859	JGENVNKAPRQVPK-WDYNHAJCSA-N	530.669	3.979	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4Cl)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970402	QFOQMSWCOZDKHD-UHFFFAOYSA-N	519.993	3.912	10	10	KHCE	
CCOC(=O)CCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870451606	RZUIWIRMYQIFSY-UHFFFAOYSA-N	523.605	3.699	10	10	KHCE	
COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCCCCO)n4CC(C)C)CC2)cc1	1873577830	KFTJNZSFRSNQMA-UHFFFAOYSA-N	508.667	3.705	10	10	KHCE	
O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	2296697851	SLHMTPMAAJMFFP-UHFFFAOYSA-N	506.609	3.815	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccc(C)cc1	2297345021	IKVHKUIFBKGRDY-UHFFFAOYSA-N	549.030	3.736	10	10	KHCE	
COc1ccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	2297345880	KDXFZVBTEGLMDK-UHFFFAOYSA-N	542.639	3.943	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	2314600246	UGYZLRPDHFJUKD-GOSISDBHSA-N	550.749	3.872	10	10	KHCE	
COc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(N(CCOC(C)=O)CCOC(C)=O)cc1NC(C)=O	31302457	ZQZWTTNVCIXDOF-OCEACIFDSA-N	501.496	3.910	10	10	KHCE	
O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cncn5)(c5ccc(F)cc5F)C4)cc3)CC2)cc1	100162972	BODQCIJGJACIKO-HEIROHQZSA-N	614.657	3.768	10	10	KHCE	
CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	100885882	DGQGSSJEBPNPBW-XDJHFCHBSA-N	532.651	3.720	10	10	KHCE	
Cc1nn(-c2ccc(I)cc2)c(O)c1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	101124374	DCSKVDMUIXMWTD-YVLHZVERSA-N	548.724	3.811	10	10	KHCE	
CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21	1083976593	GDERUJIMGWGHMX-ZDLGFXPLSA-N	502.365	3.761	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc2c(c1)OCO2	1084562811	DHHJADFWUNVBSP-YVLHZVERSA-N	506.511	3.973	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1	1864008350	IQZCBNKFVUQXIE-ODXCJYRJSA-N	513.392	3.964	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865029891	XUCCSWLDBFDKCL-SANMLTNESA-N	526.593	3.671	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866626525	CNNZKFIYNOWQLJ-SSEXGKCCSA-N	559.644	3.929	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867423350	PUEUWAQQXJONEN-VSGBNLITSA-N	561.727	3.856	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(CCN3CCOCC3)C2=O)cc1	1873425972	PWTCWSWDLQTORA-UHFFFAOYSA-N	506.553	3.897	10	10	KHCE	
Cc1cccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1	2297345417	UWNVDRXNEUTUES-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1	2297346199	LNPYEINHENGQPD-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
C[C@@H](Oc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1)c1ccccc1	2297467689	MHHAHZKCXLXQBH-QGZVFWFLSA-N	503.584	3.695	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	2314600151	LVDOLONIHDFFQD-IBGZPJMESA-N	518.682	3.785	10	10	KHCE	
O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S	2314831926	VVMSKPBCWJBAGF-UHFFFAOYSA-N	501.424	3.507	10	10	KHCE	
O=C(O)CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1	2314931236	MXODAMHNRSFTAC-UHFFFAOYSA-N	507.387	3.849	10	10	KHCE	
COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)c(Br)cc1OCC(N)=O	103069778	KKVAMGKRYQIVPV-GIDUJCDVSA-N	523.181	3.890	10	10	KHCE	
CCCCC1(C)OC(=O)C(=Cc2cc(I)cc(I)c2O)C(=O)O1	103891522	WKOLRWGIPWDNSU-UHFFFAOYSA-N	542.107	3.991	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864007015	DBHBLGWUTYOXBJ-XMMPIXPASA-N	538.048	3.932	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864013036	OQLWRLYCLWRFFM-DEOSSOPVSA-N	546.603	3.532	10	10	KHCE	
CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864018301	HWPWFERQASNHCH-VWLOTQADSA-N	549.647	3.731	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3ccc(O)c(O)c3)CC2)c1	1865026178	HJTBAYJJJZTOTJ-HHHXNRCGSA-N	537.620	3.944	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](CO)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)cccc21	1866999359	FFNDATJABWMILC-PKTZIBPZSA-N	502.954	3.725	10	10	KHCE	
CN(CCN=[N+]=[N-])C(=O)c1cc(I)cc(I)c1I	1912198769	KNCMJFYMHNVANK-UHFFFAOYSA-N	581.921	3.883	10	10	KHCE	
COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(OCCN4CCOCC4)c(OC)c3)C2=O)cc1	2332105227	JXWCPMUFAQHESM-UHFFFAOYSA-N	505.493	3.763	10	10	KHCE	
CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O	33894183	ZVDCQPUCZBRNCX-XNHPLOEXSA-N	510.641	3.596	10	10	KHCE	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	101062890	VBTKEQHJUUOGFR-XNHPLOEXSA-N	541.676	3.800	10	10	KHCE	
COC(=O)c1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1	1862261966	XZXPSDVXCKIIJF-HWGVJAQFSA-N	513.594	3.701	10	10	KHCE	
CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1	1864014795	CPWKJDDNCSZBKC-KZULUSFZSA-N	502.493	3.985	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1864015387	QETZITWPYDHJSN-KZULUSFZSA-N	518.492	3.920	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1	1865029561	QHBQLTYEWRVVJN-XMMPIXPASA-N	536.629	3.560	10	10	KHCE	
CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CCO)=C(N)O2	1865033100	ROMZTSMIGPLJOW-FQEVSTJZSA-N	533.412	3.688	10	10	KHCE	
CC[C@@H](C)NC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870962198	NMOHGATXQQWCAY-HXUWFJFHSA-N	505.619	3.634	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	2297576918	VROIPKQYUBIXON-UHFFFAOYSA-N	534.437	3.979	10	10	KHCE	
CCCCCN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S	2314399409	XYNAEOBQEUSUNJ-UHFFFAOYSA-N	529.688	3.673	10	10	KHCE	
O=C(O)CNC(=O)CN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	2318684078	OYANJMITYGEPMB-UHFFFAOYSA-N	530.027	3.776	10	10	KHCE	
Cc1cc(C)cc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	20207869	QMMQMXLYGBWTPE-BJRGRWSZSA-N	512.613	3.773	10	10	KHCE	
CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)S2)cc1	102370876	GZDOOKZODKDSQM-RPBOFIJWSA-N	576.704	3.578	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N	143278221	FVZHPVZTGXCWLD-NHDPSOOVSA-N	554.650	3.752	10	10	KHCE	
CSCC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867722085	IFUSXVKVDVFELJ-SVBPBHIXSA-N	540.730	3.873	10	10	KHCE	
C[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867849999	QXAUIAXFIGYAMM-JPYJTQIMSA-N	548.469	3.819	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296697823	PNHJGTMWUJZRRF-UHFFFAOYSA-N	521.668	3.559	10	10	KHCE	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	102610594	NCEYMEQPGDMHSZ-FCDQGJHFSA-N	549.722	3.957	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@H](C)O1	150411684	RDYXRPGVNWOQLW-KZLDEKPVSA-N	765.768	3.581	10	10	KHCE	
O=C(O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N=c4nc(Cl)nc(Cl)[nH]4)c3c2O)cc1	575447621	QSJQRXPHTBITPY-BYYHNAKLSA-N	615.389	3.810	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019023	UMMZPGIJCDXBLJ-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867204602	RVTWLJHCKZKRQE-IBGZPJMESA-N	519.557	3.987	10	10	KHCE	
COc1cccc(OC)c1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867367821	AFYULJVKKVHRPC-ZEQRLZLVSA-N	542.746	3.965	10	10	KHCE	
CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867833594	MGTPJTGFJBEQJB-IGKIAQTJSA-N	540.621	3.811	10	10	KHCE	
CC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868591150	IWOIHCYGSHMWQE-VWLOTQADSA-N	522.671	3.825	10	10	KHCE	
CCOCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1	1871530564	HCCAYXMTKBAZHP-UHFFFAOYSA-N	507.639	3.610	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3cccc(C)c3)ncnc21	1875223131	DSUAKSOVUXXVNP-UHFFFAOYSA-N	514.630	3.969	10	10	KHCE	
Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	2297468077	JYSQEQFVMBRNAB-UHFFFAOYSA-N	511.007	3.616	10	10	KHCE	
CCCCN1C(=O)C(=c2sc(=CC=C3Sc4c([n+](C)cn4-c4ccccc4)N3CC)c(=O)n2CC)SC1=S	2297730438	BEDMGRFGPOENAG-UHFFFAOYSA-N	584.838	3.568	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)O[C@@H](C)C3)SC2=S)cc1	2227174	UOGHUZCPAUWSFL-GOVKSTLWSA-N	538.695	3.632	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(CC(C)C)SC5=NC4=O)cc3)nc2s1	13574694	DQGNFCQSSLECGJ-ZMXGXFJXSA-N	521.628	3.958	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(I)c3)C2=O)cc1	100345143	ZYPSNMHUSFGGSF-QPEQYQDCSA-N	604.138	3.579	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864010542	NGDOUFZTQAKTBE-PGRDOPGGSA-N	525.005	3.879	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864021692	FQGGYLCVUPSYMF-KRWDZBQOSA-N	506.456	3.721	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1	1865034385	VQDPYJKNDBGEKE-SFHVURJKSA-N	500.477	3.613	10	10	KHCE	
CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc[nH]1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865610030	CLXROQUDPLAXNW-AREMUKBSSA-N	538.652	3.874	10	10	KHCE	
CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866806433	VUYPXVLWYOQJFZ-RUZDIDTESA-N	575.643	3.508	10	10	KHCE	
C/C(=C\C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(S(=O)(=O)N(C)C)c1	1867077309	MDFCPXZBTXNHIJ-FBMGVBCBSA-N	559.644	3.649	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@H](c3ccccc3)c3nnc(C)o3)CC2)cc1	1868891171	NSNGMIODVOYVLZ-WDYNHAJCSA-N	569.662	3.691	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1	1868900852	FXNQMMNNIFSGOC-DEOSSOPVSA-N	539.727	3.733	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)cc1	1869069596	VEIOFTQGLUTMJX-QHCPKHFHSA-N	567.568	3.757	10	10	KHCE	
COc1ccc(OCCN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873168900	OWGSRALANCBFGD-UHFFFAOYSA-N	525.609	3.817	10	10	KHCE	
CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1	1873425615	ICPKKPRGYNEMEV-UHFFFAOYSA-N	541.652	3.967	10	10	KHCE	
COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21	1875224569	YHCODBUUHPYMDO-UHFFFAOYSA-N	574.682	3.721	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296318953	NCEYMEQPGDMHSZ-UHFFFAOYSA-N	549.722	3.957	10	10	KHCE	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377659	DFSIXFLHHADSEY-RHOWTMNOSA-N	576.719	3.970	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)ccc21	1858626355	VTZKMIANOFSCTM-UHFFFAOYSA-N	509.971	3.654	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864017659	QZWLZCXDVYGBMO-OAQYLSRUSA-N	512.994	3.735	10	10	KHCE	
Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2	1865028682	XWOYVQFEFUFQLW-FQEVSTJZSA-N	511.376	3.671	10	10	KHCE	
CCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3C)cc1OCC	1865201967	JRTBGZPRPWSVJB-SANMLTNESA-N	547.656	3.578	10	10	KHCE	
COCCOC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870906786	NNAVPLIKZWDULG-UHFFFAOYSA-N	509.603	3.935	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2296540234	FFPKXDLXMSTTFX-UHFFFAOYSA-N	524.624	3.581	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	2297346437	CQEUGTGMRYBSFK-UHFFFAOYSA-N	506.009	3.768	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC	2185623	VGDZDZHGNFJTER-SJJVXOANSA-N	535.666	3.662	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)CC2)cc1	8591556	MFWXWMCRRANTNW-UHFFFAOYSA-N	502.594	3.753	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1Cl	20207672	NMAKGJSTDXWKHG-OLKKAHHKSA-N	504.977	3.549	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc(F)cc1	20208297	JMYVWNWPNYEOAC-BVDVPRQSSA-N	516.576	3.815	10	10	KHCE	
Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100886051	YYRUTJDPAXHYML-GVLJNOETSA-N	536.635	3.724	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	101397065	NPWSAMYYNXUACY-SSOZYACPSA-N	549.030	3.736	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccccc1I)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861912366	JVOWHXJVRJWFPO-OAQYLSRUSA-N	521.399	3.547	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865029008	DARGWCQKWFECGW-PGRDOPGGSA-N	525.005	3.567	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029455	NULRTXLIKMXXLL-SRGWNRLKSA-N	534.613	3.575	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1	1867957748	HAAAUGRUTYFUAO-UHFFFAOYSA-N	503.607	3.609	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCOCC5)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1	1869241727	SESQWPRJZMIYKI-UHFFFAOYSA-N	606.171	3.503	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(-c4cccnc4)n3)CC2)cc1	1869368656	BCESBVXRHRJJHB-UHFFFAOYSA-N	525.661	3.695	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1	1869970353	NWGAMLGYLQRGJJ-UHFFFAOYSA-N	514.586	3.629	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccncc4)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1	1871490220	GASHCCZCWGUALI-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12	2314400762	REICCAGLMQGCLD-CALCHBBNSA-N	550.662	3.747	10	10	KHCE	
COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCCN1CCOCC1	2332105301	SNGKFFHOROCPHE-UHFFFAOYSA-N	500.393	3.975	10	10	KHCE	
O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O	16911516	IPFYQESUUIYFAY-LFIBNONCSA-N	507.387	3.849	10	10	KHCE	
CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O	33812567	SAEYVLUWQHGPQV-STZFKDTASA-N	511.673	3.575	10	10	KHCE	
COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	103859973	OWRJEFHYVSJSAR-XGICHPGQSA-N	572.109	3.637	10	10	KHCE	
CCc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2OC)cc1	104559295	LPSCNLJPBHUVKT-SVKNRIHUSA-N	542.639	3.727	10	10	KHCE	
CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864012475	AJCBJQDRVPRAAA-OAQYLSRUSA-N	530.984	3.545	10	10	KHCE	
C[C@@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1864016895	ZUMXTKSRZBYILW-WAIKUNEKSA-N	547.011	3.855	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1864023310	XWCXKFIRTLZCTE-INIZCTEOSA-N	526.874	3.985	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3ccccc3F)CC2)cc1	1865064454	FJKPYOFCCGTOSJ-SANMLTNESA-N	540.599	3.767	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4ccco4)n(C)n3)CC2)cc1	1869034842	RUSAZQCESPZDMN-VWLOTQADSA-N	531.588	3.518	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1	2296336993	GJEFJZCJXTVXOC-UHFFFAOYSA-N	505.669	3.939	10	10	KHCE	
CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O	33467761	OMEJNRLKHZHWDE-HYARGMPZSA-N	507.685	3.510	10	10	KHCE	
CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(CC)CC2)SC1=S	33812546	LUKSSECXANCJHQ-PGMHBOJBSA-N	501.722	3.972	10	10	KHCE	
COc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC	103859101	VQAWWJUYGIQDNU-ZSOIEALJSA-N	557.138	3.737	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC	725413673	JGQRGFBBFTXLFO-MHZLTWQESA-N	565.692	3.670	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CSC(C)C)CC2)cc1	1861880132	XZZJEASRWHTZBP-XMMPIXPASA-N	501.718	3.904	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H](CO)C2)=C(N)O3)cc1	1865033139	SQFCVKQCDWCZGI-KOSHJBKYSA-N	548.640	3.551	10	10	KHCE	
CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)CC1	1865033258	VTQMNCRTPGGMSG-DEOSSOPVSA-N	546.624	3.651	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1ccccc1OC(C)C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865459713	ATHUEUVCGNPRHC-VWLOTQADSA-N	531.657	3.822	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(OC)c(OC)c1	1865510289	XQBNAIQLVHCYAX-SANMLTNESA-N	547.656	3.671	10	10	KHCE	
Cc1nnc([C@@H](CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1	1867024887	VFGWQKAAHXXIPK-AOMKIAJQSA-N	508.534	3.819	10	10	KHCE	
CC(C)C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O	1868019980	ZLQFCIBDAYSRGF-CLJLJLNGSA-N	534.657	3.805	10	10	KHCE	
CCCC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868792870	YALRAUDSBXBKNL-XMMPIXPASA-N	536.094	3.536	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cc(-c4cccnc4)on3)CC2)cc1	1868980965	CEVPWEPJIRKUGE-AREMUKBSSA-N	529.572	3.574	10	10	KHCE	
COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21	1875225607	WAMKEYQXBCBTQO-GDLZYMKVSA-N	587.725	3.859	10	10	KHCE	
C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	2297509017	KTVDEJUVDNFNOY-OAQYLSRUSA-N	562.692	3.580	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1	20208273	JXCAJRFIFBKHRI-BEBMFCDBSA-N	519.004	3.939	10	10	KHCE	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1	150381768	HGBZBLPEFVMINN-YUFZIBDRSA-N	772.638	3.522	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4[nH]c(-c5ccc(F)cc5)nc4c3)CC2)cc1	1862094171	HKFIBMUEKVPBQA-GOSISDBHSA-N	501.562	3.845	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864007830	VXSMECJMTXPSJU-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CCOC(=O)c1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1	1865926164	AZAPVJMLUUIZIX-OZXSUGGESA-N	506.647	3.626	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)n(C(C)(C)C)n3)CC2)cc1	1869970498	LOHBKTWZUSAROA-UHFFFAOYSA-N	509.567	3.537	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CCCn3ccnc3)C2=O)cc1	1873423146	GVIAPDQDMZVZAH-UHFFFAOYSA-N	543.649	3.976	10	10	KHCE	
COc1ccc(OC)c(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)c1	1873930908	OAGZCPKEWMOOFI-UHFFFAOYSA-N	503.463	3.582	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296698773	QCDVZYZPAOAAKX-UHFFFAOYSA-N	549.722	3.563	10	10	KHCE	
O=C1C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	2297497878	ZUMAWSXUMIEUCD-AWEZNQCLSA-N	578.491	3.638	10	10	KHCE	
O=C1c2ccccc2-c2onc3c(N4CCC5(CC4)OCCO5)cc(N4CCN(C(=O)c5ccco5)CC4)c1c23	29749483	VQSNDQFIULHKEE-UHFFFAOYSA-N	540.576	3.938	10	10	KHCE	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1	725439262	QFPSCKXFXDDGOJ-RUZDIDTESA-N	505.640	3.653	10	10	KHCE	
CC[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861974915	OBQDXBNKZOFPRS-AREMUKBSSA-N	513.082	3.804	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865184585	LBYBISWKFOMKKZ-XMMPIXPASA-N	501.631	3.733	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1	1867992570	YVUGVBKMBZDNRX-UHFFFAOYSA-N	538.656	3.604	10	10	KHCE	
CCCN(CCC)C(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870460609	NXSXIUNLLNYCED-UHFFFAOYSA-N	512.695	3.863	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425664	KCDHOSAFRYYUMA-UHFFFAOYSA-N	528.609	3.737	10	10	KHCE	
CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	39990397	MLACRFXCMOSJKA-UYRXBGFRSA-N	502.662	3.741	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1	43218726	YHAJWZBQMJSAQI-OKUYAMHMSA-N	514.626	3.878	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3O)C2=O)cc1C	103891361	UFTAECHGMRLZAS-AUWJEWJLSA-N	588.139	3.885	10	10	KHCE	
CCOc1cc(N2CCOCC2)ccc1CN1CCC2(CCCn3cc(nn3)COc3ccccc3CNC2=O)CC1	643568728	AVRZAJXVGLEMSW-UHFFFAOYSA-N	574.726	3.785	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	1615296195	HLVSCNFAKHWYRA-DLVKNRNASA-N	548.683	3.959	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1	1862231986	HKFJHIDVEILRNX-HSZRJFAPSA-N	504.052	3.758	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1	1862271109	IPPXGPOPLVEFGD-QHCPKHFHSA-N	515.507	3.942	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@H]3c2ccc(O)c(O)c2)cc1	1864007672	RUAZGEDSDKNYOC-DEOSSOPVSA-N	516.529	3.751	10	10	KHCE	
COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1	1864016093	HLLWCTOWYYUKKU-QHCPKHFHSA-N	530.556	3.606	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2	1864019086	VVPUITPDWFVEND-HSZRJFAPSA-N	532.000	3.948	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864019556	LYFLILWZTHJZPZ-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865030341	HZRLGBSCOKDCDA-SANMLTNESA-N	546.668	3.837	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)C1CCN(C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865032297	ZXXUQXWITWFHLB-XMMPIXPASA-N	531.657	3.865	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865037299	NSVJOAQEEZGGIS-AREMUKBSSA-N	540.620	3.925	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(O)c1	1865053811	SXZFYQBPMQLEDZ-XMMPIXPASA-N	517.630	3.613	10	10	KHCE	
CCOc1ccc(-c2nc(N3CCN(C(=O)C4CC4)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	1869326467	KQWDMCDHSZCEFB-UHFFFAOYSA-N	542.684	3.936	10	10	KHCE	
CCCCOC(=O)COc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870761367	ABGZFXCAXRUOTQ-UHFFFAOYSA-N	519.642	3.950	10	10	KHCE	
COCCNC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870966941	LBOXIOJNQLOBCD-UHFFFAOYSA-N	508.619	3.508	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1OC	2296706839	YWISJFZSNHUWMO-GOSISDBHSA-N	552.678	3.747	10	10	KHCE	
Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1C	2313564971	JMRROIVDLPJCKO-UHFFFAOYSA-N	517.563	3.939	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1	100849813	GZRCUCJAIOVIIM-RELWKKBWSA-N	563.705	3.725	10	10	KHCE	
CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1	104560128	QINNSGACPUEUHZ-NFBUKIRSSA-N	533.031	3.981	10	10	KHCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC3)cccc21	1860598055	PZFBMXMRUUDGGZ-UHFFFAOYSA-N	528.477	3.769	10	10	KHCE	
CCOc1ccccc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862054400	QUGWSEPNCHKGPD-SANMLTNESA-N	505.590	3.923	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1	1862271937	SBPVCWAMFCZGJC-HSZRJFAPSA-N	513.516	3.508	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864011624	JLYXMPORIRLDHX-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864012782	JAMUTAYAYHATCK-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC(=O)OCC)=C(N)O2	1865030994	WPDMTTYCXSYZHR-DEOSSOPVSA-N	549.628	3.517	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1	1868829317	YHWOIZNILZDVEH-OCBJUFRSSA-N	559.638	3.939	10	10	KHCE	
CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868985614	OVZUGNMXLVHBSU-QHCPKHFHSA-N	504.635	3.561	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCO)nc(Nc4ccc(Nc5ccccc5)cc4)[nH]3)CC2)cc1	1871607369	XYWBJACEOVIXKO-UHFFFAOYSA-N	512.618	3.520	10	10	KHCE	
Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	2297345706	UHQNFPYBLYNKCW-UHFFFAOYSA-N	512.613	3.853	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1	2297346262	QGMVJICIUPTIRI-UHFFFAOYSA-N	537.623	3.740	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(I)c(O)c(I)c1	1084149236	SYIRKAUMXOQTQT-UITAMQMPSA-N	594.143	3.572	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	1084183641	VDGLGRIBZCDDED-AUWJEWJLSA-N	617.165	3.801	10	10	KHCE	
CC(C)OC(=O)c1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1	1860826795	NCHMZNYCABHVBY-MRCUWXFGSA-N	510.593	3.845	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864007935	XUCXPDCDDNGZMR-XMMPIXPASA-N	546.967	3.985	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864009514	ITSVKDRPVPLMPR-RUZDIDTESA-N	537.636	3.723	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864012247	VNLLSPYRKZBPRV-VWLOTQADSA-N	532.547	3.983	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2	1864017206	IFJAIJDXCSZUNS-DEOSSOPVSA-N	519.646	3.779	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865026602	QEGGOWUNOKGNMP-RUZDIDTESA-N	528.540	3.910	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865029441	NDWLHPKBMKTGDU-QHCPKHFHSA-N	506.603	3.552	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC3(CC1)OCCO3)[C@H]2c1ccc(O)c(O)c1	1865031455	HIYKEPPAPCOQSF-QHCPKHFHSA-N	546.624	3.677	10	10	KHCE	
CCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868821894	QFDFMLWNKPONTM-SVBPBHIXSA-N	510.654	3.823	10	10	KHCE	
CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	2296564549	JNQIDJKQOAZLSC-UHFFFAOYSA-N	509.632	3.690	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)C)cc1	2297346198	LLEXRPLKWHUTKB-UHFFFAOYSA-N	526.596	3.659	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(N3CCCCC3)nc12	2314400217	LFPQIWCBSNJXFZ-UHFFFAOYSA-N	500.646	3.839	10	10	KHCE	
O=C(COc1ccc([N+](=O)[O-])cc1C=C1SC(=S)N(NC(=O)CCN2CCCCC2)C1=O)Nc1ccccc1	2314486618	ACPKQXUXHFVXMW-UHFFFAOYSA-N	569.665	3.721	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314829278	UYWATLZDBWSNON-YVWKXTFCSA-N	530.693	3.820	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1	101740535	URIJZVQWQXPNJR-LFIBNONCSA-N	543.461	3.525	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)s2)cc1	102371588	NISLBEAIBMMOKH-DHDCSXOGSA-N	567.099	3.652	10	10	KHCE	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	103070466	ZKMYSEDWIQEEFX-SUOMESGTSA-N	560.028	3.780	10	10	KHCE	
Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2N=[N+]=[N-])c(=O)[nH]c1=O	140666246	UJSNBJFRRVDUSB-HIQYAUPDSA-N	525.565	3.791	10	10	KHCE	
NC1=C(C(=O)NCCCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014336	SIMHMFYEPKXVSS-DEOSSOPVSA-N	526.593	3.924	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1864015274	NVEGZGULBJSWLV-KRWDZBQOSA-N	538.910	3.803	10	10	KHCE	
C[C@H](O)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864016892	ZUMXTKSRZBYILW-HJPURHCSSA-N	547.011	3.855	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCCCOc4ccccc4)cn3C[C@@H](C)O)CC2)cc1	1870317151	ROKNMVUPYJGSMD-XMMPIXPASA-N	521.658	3.798	10	10	KHCE	
CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC	2294093706	HDTSLBGIQUCEHM-UHFFFAOYSA-N	578.359	3.607	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2296846622	HCLNUKPISMOUCQ-UHFFFAOYSA-N	553.685	3.706	10	10	KHCE	
COCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S	2296849764	PBEPTZIBIBGARS-UHFFFAOYSA-N	506.653	3.803	10	10	KHCE	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1C	2314508262	OHNNRVDXQFCSDY-QGZVFWFLSA-N	541.676	3.800	10	10	KHCE	
Cc1cc(Cl)ccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	2326941513	AHUMABGPCIEYTA-UHFFFAOYSA-N	516.000	3.680	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	2328585209	HPDPJCLUHIOMTM-HHHXNRCGSA-N	514.582	3.693	10	10	KHCE	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1C[C@H]1CCCO1	101013165	SDXOKPVMZYYAKU-BQHBAAMWSA-N	596.756	3.940	10	10	KHCE	
COc1ccc(/C=C\C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1	103139334	CRVIUTXRBCFJSB-BENRWUELSA-N	538.622	3.563	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865028152	QRNLIYUUBWEGEA-MBSDFSHPSA-N	525.005	3.703	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1CCO)[C@@H]2c1ccc(O)c(O)c1	1865031471	HRSDXKBYWUHQKA-NZQKXSOJSA-N	518.614	3.829	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@H](c1ccncc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865418236	TWWKATNOVBCQBN-DEOSSOPVSA-N	516.646	3.549	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(-c3ccccc3)cc2)N2CCCCC2)cc1	1867352402	BDMDRIOAPWLNTQ-FQLXRVMXSA-N	514.670	3.854	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867723692	KYBPVDUUDFRWKU-LITSAYRRSA-N	508.663	3.920	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CNC(=O)Cc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)CC2)cc1	1868656562	WKIVKNKPNZZYKU-UHFFFAOYSA-N	504.631	3.964	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1	1871604542	HCGMUOLSAGZTHQ-UHFFFAOYSA-N	511.630	3.729	10	10	KHCE	
COC(=O)c1ccc(CN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873170461	AGJWVKURPMEKIW-UHFFFAOYSA-N	526.637	3.845	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)O	2294095299	OSZMOTIILJKSQD-UHFFFAOYSA-N	517.332	3.594	10	10	KHCE	
CCc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1	2297346201	LRONTLYAYLZYEM-UHFFFAOYSA-N	533.031	3.981	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCN(C)CC3)nc12	2297461113	YPKMEJOQQXXYRM-UHFFFAOYSA-N	519.696	3.589	10	10	KHCE	
COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S	2314476654	SQJCKKUDCNZSKL-UHFFFAOYSA-N	584.745	3.798	10	10	KHCE	
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)N(C)C(=O)[C@H](C)O5)cs3)ccc21	11858007	FCHQXZDHRKMUDT-AWEZNQCLSA-N	512.613	3.654	10	10	KHCE	
CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c2=O)SC1=S	102432871	KHVOPWBLMOVXNR-LTGZKZEYSA-N	521.668	3.559	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	102610012	NORPBBHVOCBJSA-KYCFSCSMSA-N	547.706	3.710	10	10	KHCE	
CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O	143343388	FOLOFIVRXBAGLN-FXONECCMSA-N	630.814	3.889	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC2)cc1	1862103942	WTEYIXAJAXOAKM-QHCPKHFHSA-N	509.676	3.895	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864012426	ZQQOPIALHXHSIH-HSZRJFAPSA-N	517.973	3.710	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864018390	KGQMKRZIHQWOOX-DEOSSOPVSA-N	537.636	3.587	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(NCCCN3CCOCC3)nc12	2296706052	QVVVVDNTNKRYPJ-UHFFFAOYSA-N	527.716	3.671	10	10	KHCE	
COc1cc(C=C2SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc(OC)c1OC	2297305848	YZVYBEHWLWWGGY-UHFFFAOYSA-N	508.647	3.602	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C	2297345834	HFCVLOQOFHTRJY-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1	2297346097	CMBNVKQGTUJLAX-UHFFFAOYSA-N	523.379	3.834	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	2314829157	PTZWWAWHUCTVQC-NRFANRHFSA-N	573.762	3.995	10	10	KHCE	
Cc1cccc(C)c1OCCn1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	20207700	WOIXTBCRHABDPT-ADKREUBMSA-N	521.624	3.958	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1	33929430	KLAQTESJMFEYSO-LTGZKZEYSA-N	521.668	3.639	10	10	KHCE	
COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	34782266	YSBMCSOEGXPICE-ACRNLXFHSA-N	508.625	3.695	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C	101397399	AMBMQOOMVHFHEG-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1	101909611	WQRKKORVFUHUQN-IDCRMVTHSA-N	577.725	3.826	10	10	KHCE	
COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	104562672	SFNCDYMBSQHEOB-NLPPSYTOSA-N	528.612	3.553	10	10	KHCE	
CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O	110531603	LXDORDNUABSNIY-KQWNVCNZSA-N	583.711	3.970	10	10	KHCE	
CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864009577	BHPVRMKJKWUVFT-OAQYLSRUSA-N	512.994	3.737	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1865027461	YMIGHYNGKSMRLB-VWLOTQADSA-N	520.630	3.583	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3CCC)[C@H]2c2ccc(O)c(O)c2)CC1	1865033547	CCJGWXMWXFDUKA-XMMPIXPASA-N	547.656	3.629	10	10	KHCE	
C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1865033563	CRQAZXHMUINFEQ-UGSOOPFHSA-N	515.492	3.793	10	10	KHCE	
CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867832828	GYBAOQUSQMKRNX-LOSJGSFVSA-N	572.688	3.764	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5ncccn5)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1	1867964565	MPSZQQTUSKTKBW-UHFFFAOYSA-N	522.657	3.904	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3Cc3ccc(F)cc3)CC2)cc1	1870479843	NZLKAXQLEGMSHV-UHFFFAOYSA-N	523.605	3.697	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	2296696673	KBSGVGTYVCVDAO-QFIPXVFZSA-N	561.733	3.705	10	10	KHCE	
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	2313526750	GAXIFJZEASZXCV-UHFFFAOYSA-N	525.565	3.579	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O	2314935888	SOCWCDAKIMVPPH-KRWDZBQOSA-N	516.597	3.882	10	10	KHCE	
CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	1869048	RDTGQKCTNSELIJ-HKWRFOASSA-N	534.560	3.948	10	10	KHCE	
O=C1/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	101061761	XHBYZLPAHIXJOK-VVBXCHJUSA-N	534.040	3.529	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CCOc3ccccc3)CC2)cc1	1862267730	VVSZFDQTBFIJAB-HHHXNRCGSA-N	505.590	3.680	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCCN(CC)CC)[C@@H]2c1ccc(O)c(O)c1	1864017277	JDLDIEZJJOWPCJ-XMMPIXPASA-N	549.672	3.923	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864017888	XTGQGTARXAFWDE-RUZDIDTESA-N	526.593	3.908	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2	1865026384	MVQGNNXOXIWNAT-GBXCKJPGSA-N	539.032	3.763	10	10	KHCE	
Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865027158	VFZIFCOFSPDRBZ-AQKDONEWSA-N	525.005	3.635	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N(C(C)=O)c4ccccc4N4CCNCC4)nc(-c4cccnc4)n3)CC2)cc1	1869369414	VFGVPOBJLIEXMU-UHFFFAOYSA-N	564.694	3.968	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccn4)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1	1871513254	DHUXERJADPSSFL-UHFFFAOYSA-N	517.037	3.763	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCCO)ncnc4n3Cc3ccco3)CC2)cc1	1875234621	SWGMACAQRWFDQQ-UHFFFAOYSA-N	518.618	3.618	10	10	KHCE	
Cc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5N=C(CC(C)C)SC5=NC4=O)cc3)nc2s1	2297350723	FLUYWZWOFJYXEI-UHFFFAOYSA-N	507.601	3.704	10	10	KHCE	
CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=N)N12	2297350741	KRAKBAJZRITQCM-UHFFFAOYSA-N	525.641	3.622	10	10	KHCE	
COC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	2313557661	IWCWYCXVOLKDNZ-UHFFFAOYSA-N	556.138	3.569	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1C	104559336	OCYSYLNHVBOGBJ-GSROUWSESA-N	542.639	3.863	10	10	KHCE	
Cc1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	207328007	GNOJBNZEHORHSH-TYJAPOHBSA-N	522.645	3.534	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	1615296209	POZIORVSEBDXTB-NKAWYKKMSA-N	536.722	3.882	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864019040	USORSWLIYHYKIY-HSZRJFAPSA-N	540.064	3.711	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865028511	WFBVAWLBIFZHST-VVYDWRJNSA-N	510.978	3.576	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865029242	JCJHKAHXDFTJOP-HHHXNRCGSA-N	539.636	3.992	10	10	KHCE	
O=C(C[C@H]1CCCCO1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867242907	FZHJGVRIYDZQEX-NLFFAJNJSA-N	512.562	3.793	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867435475	JJWWUOZJRVVYNP-KAYWLYCHSA-N	547.700	3.609	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(OC(C)=O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514686	BVRQGYZMMGRMOB-PXLJZGITSA-N	697.833	3.995	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867832827	GYBAOQUSQMKRNX-JWQCQUIFSA-N	572.688	3.764	10	10	KHCE	
CC[C@@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868893234	CKHBCAOEWLPEFG-ILBGXUMGSA-N	563.724	3.992	10	10	KHCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	2295982186	ZDXIPJNUTAGFOA-LJQANCHMSA-N	535.695	3.791	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	2314399302	KFDCTDOXMHKPEF-UHFFFAOYSA-N	579.704	3.691	10	10	KHCE	
COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	2314486757	CFCYLODNBQPNEQ-HZPDHXFCSA-N	502.614	3.704	10	10	KHCE	
CC(=O)c1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1	17413935	ZPBZGZKHVGORRL-XYFQYJLHSA-N	596.688	3.540	10	10	KHCE	
Cn1c(Cc2cccc3ccccc23)nnc1Sc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1[N+](=O)[O-]	103773079	UZAXXQXMBQMIIM-UHFFFAOYSA-N	530.591	3.533	10	10	KHCE	
Cc1c(N2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	110075239	NYYUXLSSQVRGKU-FXBPSFAMSA-N	558.689	3.888	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCOc3ccccc3)CC2)cc1	1862267731	VVSZFDQTBFIJAB-MHZLTWQESA-N	505.590	3.680	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2	1864013496	XKIHPZMXDGGEQD-WMZHIEFXSA-N	539.032	3.938	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)=C(N)O2	1864014564	YJFFLTKHKJCFRS-NPMXOYFQSA-N	522.602	3.856	10	10	KHCE	
CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1	1864017604	PXCQUGAAIZFEIJ-JOCHJYFZSA-N	513.554	3.575	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@@H](C)C[C@H](C)C2)=C(N)O3)cc1	1865033454	AFQPGHUDZDPTEI-WCJKSRRJSA-N	504.587	3.706	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1cc(Cl)ccc1O)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865212555	LXSUEWOXIGHZBI-QHCPKHFHSA-N	538.048	3.784	10	10	KHCE	
CCCc1nn(C)c2c1[C@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865546769	ZPEHNZXQTUCYIO-QHCPKHFHSA-N	505.594	3.564	10	10	KHCE	
CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866801067	RZIKDTLSDNGMSN-QHCPKHFHSA-N	578.643	3.567	10	10	KHCE	
COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1	2293394507	NXEWRJXHTCGJOS-UHFFFAOYSA-N	519.457	3.729	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C(=N)N21	2297345413	UIHNSTZRYHQUJP-UHFFFAOYSA-N	537.392	3.788	10	10	KHCE	
COc1c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	2297638978	OARHUYCKOKETKI-UHFFFAOYSA-N	545.523	3.544	10	10	KHCE	
O=C(O)COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	2313558837	KYUDKSAXDQGLCP-UHFFFAOYSA-N	558.179	3.645	10	10	KHCE	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1	2314842131	AYWAPGYMDDXZJF-MRXNPFEDSA-N	579.450	3.904	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3sc(NS(=O)(=O)c4ccc(C)cc4C)nc3C)CC2)cc1	8979155	UGGATTRNXBGQNM-UHFFFAOYSA-N	500.646	3.840	10	10	KHCE	
CCCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OCC	1858590603	AGQZWMLBUPKWEF-RCCKNPSSSA-N	506.671	3.965	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	1864010168	JFYZFJSHXJAYBR-DEOSSOPVSA-N	500.555	3.592	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020025	UNBUYYXCNFZWIQ-VWLOTQADSA-N	542.640	3.619	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc([N+](=O)[O-])c1	1865472461	USGDRVZFMHXMGN-XMMPIXPASA-N	546.628	3.816	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(OC)cc1OC)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865541849	LYLPLXYCXPUFKD-VWLOTQADSA-N	547.656	3.535	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)C(C)C)CC2)cc1	1868756129	VUZKYTGQAPVANF-MHZLTWQESA-N	503.647	3.816	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCSc3nnc(-c4ccccc4)n3C)CC2)cc1	1868912908	IFABSPZODTWGGJ-DEOSSOPVSA-N	568.769	3.560	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C(\C)c3cccc(S(=O)(=O)N(C)C)c3)c3ccccc3)CC2)cc1	1868920816	PIPMVBMQLGZQNC-MVIHEARRSA-N	576.719	3.555	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCc4ccc(F)cc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1	1871480562	YYODKNIANVMYHF-UHFFFAOYSA-N	513.621	3.896	10	10	KHCE	
[N-]=[N+]=NCCCCCCOCCOCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	2080389383	JUXLQOHNAZVQSN-HSZRJFAPSA-N	600.673	3.507	10	10	KHCE	
CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1	4761872	LQWXIQDIMFHSEZ-MHZLTWQESA-N	567.756	3.843	10	10	KHCE	
COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1	35638915	KHVBSGMWEHBWND-WOJGMQOQSA-N	501.542	3.707	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1	101399144	OZRTVRAUOUQICM-SQNBBMAZSA-N	547.014	3.969	10	10	KHCE	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	213182612	KBHPUYVUMKPSHT-IZQLPPHKSA-N	541.676	3.746	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864017202	HYKZCBSPDLZVKO-HSZRJFAPSA-N	506.603	3.864	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2	1864017512	OBSGITDMARZEAV-HSZRJFAPSA-N	532.622	3.970	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864018750	BVMFUTDCLNMAIO-RUZDIDTESA-N	525.609	3.928	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@H](C)O[C@H](C)C2)=C(N)O3)cc1	1865032337	AMVRGNVJDPGJPK-NXMSCROESA-N	548.640	3.956	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1	1869166735	FEIKNLMNJMFJNB-UHFFFAOYSA-N	512.658	3.846	10	10	KHCE	
Cc1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314600266	VTSDJDCNWPBROX-LJQANCHMSA-N	536.672	3.924	10	10	KHCE	
O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	2314842537	YEWUHMHOPXLRTM-OAHLLOKOSA-N	538.962	3.626	10	10	KHCE	
CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(=NC3=NC(=O)C(=Cc4ccc(OC)cc4)S3)s2)cc1	2314951914	NLMGDPPQCFYTNX-UHFFFAOYSA-N	555.663	3.959	10	10	KHCE	
O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccc(N2CCCC2)cc1	106577865	ZQFUYLSHGJWUIJ-TUAOVVRQSA-N	546.624	3.839	10	10	KHCE	
O=C(CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1	150551890	NUESQMZFQYKMGQ-VXPUYCOJSA-N	646.710	3.793	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1	1864016003	YGRULTOLPOVGJA-INIZCTEOSA-N	508.884	3.557	10	10	KHCE	
CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1864016264	KURICORQVDZOIS-JOCHJYFZSA-N	500.530	3.979	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	1865031838	PGXKGJXDPWMTBY-JOCHJYFZSA-N	532.984	3.749	10	10	KHCE	
COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCOC)[C@@H](C)C2)n1	1868254123	FCPKJLGGNJPQJX-PMACEKPBSA-N	529.641	3.730	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCNc3ccccc3OC)CC2)cc1	1868798122	OHLRROYCQCIPML-LJAQVGFWSA-N	574.678	3.507	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(-c4cc(F)ccc4F)n(C)n3)CC2)cc1	1868933429	HBIFHJVQDBZWKT-HSZRJFAPSA-N	543.640	3.574	10	10	KHCE	
CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1C(C)(C)C	1869970844	RPMYKJDSFAAZHD-UHFFFAOYSA-N	508.623	3.785	10	10	KHCE	
COc1ccc(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(Cl)cc4Cl)o3)CC2)cc1	9561225	WFGYBUKHBFFAMQ-UHFFFAOYSA-N	504.418	3.918	10	10	KHCE	
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)c(O)c2OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)C1=O	159231929	HYDGIZNWCBVJIJ-UHFFFAOYSA-N	694.659	3.919	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCC(=O)N1CCCCC1	206931808	AHIZQDQENLTJPD-JCMHNJIXSA-N	525.652	3.941	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCN(Cc3ccccc3)CC1)=C(N)O2	1864009871	MJFNDCUMRQKTKJ-SANMLTNESA-N	531.657	3.734	10	10	KHCE	
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874017019	LILLRYCQYJUHAU-NRFANRHFSA-N	501.926	3.955	10	10	KHCE	
CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O	39990192	NHPMBRZPZQPEOC-STZFKDTASA-N	511.648	3.735	10	10	KHCE	
O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)cc(C(=O)O)c1	59816309	GSDPDPFGHFHWLO-YBEGLDIGSA-N	522.507	3.914	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	100849984	DXBLJTKQGAAISD-CJLVFECKSA-N	563.705	3.991	10	10	KHCE	
Cc1ccc2nc(NCCn3ccnc3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1	102485029	BBHOKSOGHUPNCV-DEDYPNTBSA-N	502.625	3.713	10	10	KHCE	
CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110076010	VFALIJIWJZNQSE-RGEXLXHISA-N	532.651	3.638	10	10	KHCE	
CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861990697	VKQPQTNWBPHHEV-YIXXDRMTSA-N	510.654	3.680	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccc4c(c3)OCCO4)c3ccccc3)CC2)cc1	1862153995	WOGIHJRKUBEFDF-CUFYGPSYSA-N	513.594	3.686	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2	1865027898	NGXPIZATHUOMHG-RUZDIDTESA-N	510.550	3.771	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cc(C)cc(C)c1	2297345284	IKGCAQPJQCQKIL-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314767724	HPJYRHGRJVFDPA-NRFANRHFSA-N	607.504	3.722	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)OC	1084323609	DQNKJEAUEULDQL-NVNXTCNLSA-N	582.201	3.829	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1	1615296229	UYWATLZDBWSNON-VOLRDLLISA-N	530.693	3.820	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc(Br)c1O	1858591941	DIAMTRXTRQESKI-FSEGOYHTSA-N	510.387	3.766	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2	1865030761	QFZHPMPWKHSRGK-QQMNAOGKSA-N	503.603	3.830	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865033906	KDPRAMNQVZJLMK-FQEVSTJZSA-N	543.546	3.767	10	10	KHCE	
CC(C)C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O	1868019982	ZLQFCIBDAYSRGF-IZZNHLLZSA-N	534.657	3.805	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2040467227	ZQKKHJUJHVMAFY-UHFFFAOYSA-N	563.749	3.953	10	10	KHCE	
CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2)C(=O)N2CCc3ccccc32)c2ccccc21	2297359148	YHFBLIUNGAHYNF-UHFFFAOYSA-N	514.607	3.656	10	10	KHCE	
CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	2314413777	HNGFCTDXTGQSRD-UHFFFAOYSA-N	510.641	3.896	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	102680080	QGJCKBKZAAKDDW-FCDQGJHFSA-N	549.722	3.581	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	103650522	UDCVKOPLDSEUOA-CJLVFECKSA-N	519.696	3.855	10	10	KHCE	
Cc1ccc(Sc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	105638798	VDLQQQKRMAEURF-PWDRBQJJSA-N	529.690	3.542	10	10	KHCE	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	253565257	HMJLSWPKDYJHRR-SPDQCEQOSA-N	603.663	3.582	10	10	KHCE	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3OC)C2=O)cc1	1084620373	RVKFQLXXLRVCJQ-RIYZIHGNSA-N	604.138	3.579	10	10	KHCE	
COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2F)[C@@H]3c2ccc(O)c(O)c2)cc1	1864007673	RUAZGEDSDKNYOC-XMMPIXPASA-N	516.529	3.751	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864008584	NIFFANLBNDOMGE-JOCHJYFZSA-N	503.946	3.651	10	10	KHCE	
CC(C)OCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015062	IWUGYMYPPIOLBA-GOSISDBHSA-N	518.492	3.538	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1nc3ccccc3[nH]1)[C@H]2c1ccc(O)c(O)c1	1864021998	IEKJRDYEEDFPPF-IBGZPJMESA-N	542.518	3.856	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1865031348	FECQFTHIIQGTBE-RUZDIDTESA-N	540.620	3.853	10	10	KHCE	
Cc1nnc2sc(CCC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn12	1867042749	WHOOZQPHIUELFG-HSZRJFAPSA-N	582.617	3.708	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867798770	WOVAXKVTQWRAML-IGKIAQTJSA-N	538.693	3.969	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868615244	ALYRJWSDMLVABY-PMERELPUSA-N	534.657	3.585	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868754675	WXQQQFTZKFNWMW-GDLZYMKVSA-N	503.647	3.960	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3NC(C)=O)CC2)n1	1869135793	VYLNLWHVCXKGRL-UHFFFAOYSA-N	515.662	3.659	10	10	KHCE	
COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1I	2294956865	UXDJZROCUXRLQE-UHFFFAOYSA-N	543.180	3.894	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1F	2297345073	OHWZUKOZOCCKKU-UHFFFAOYSA-N	522.967	3.688	10	10	KHCE	
CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	33339607	JNQIDJKQOAZLSC-HMMYKYKNSA-N	509.632	3.690	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1	101398031	GTDCIFHKEIKUMH-BQLOJNAPSA-N	519.402	3.649	10	10	KHCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)c(OC)c3)C(=O)N=C2S1	101498137	PJCJTHLQWCEYGY-GGHQPTPASA-N	537.627	3.720	10	10	KHCE	
CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCC3(CC1)OCCO3)[C@H]2c1ccc(O)c(O)c1	1864015509	AQIYUSYVCMOANF-QHCPKHFHSA-N	546.624	3.868	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC)=C(N)O2	1864018170	DVPGKAZBURFNHX-FQEVSTJZSA-N	533.412	3.669	10	10	KHCE	
Cc1ccc(C=C2SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1	2297580210	BVKLREPTKLZSJP-YADHBBJMSA-N	553.706	3.539	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccc(Cl)c1	102467768	RCIVSPVBDVANPV-JICKLIGNSA-N	532.987	3.579	10	10	KHCE	
CC1=C2C(O)=C(C(C)C)C=C1[C@]2(N(CC(=O)O)CC(=O)O)C1([C@@]2(N(CC(=O)O)CC(=O)O)c3cc(C(C)C)c(O)c2c3C)OC(=O)c2ccccc21	150487695	NZIWSFHUYHLWFE-FZNHDDJXSA-N	716.740	3.866	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC[C@@H](C)O)[C@@H]3c2ccc(O)c(O)c2)c1	1864016090	HLISOHKNVGSAQZ-KBMIEXCESA-N	540.620	3.818	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865028853	ZTQYUMLGNDXXDI-VWLOTQADSA-N	511.582	3.773	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)N2CCCCC2)cc1	1867600028	OQNGQMSEMQBABJ-YTMVLYRLSA-N	618.134	3.641	10	10	KHCE	
Cc1cc(OCCOc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)ccc1Cl	2297345874	JVIDIMQFTPSFOL-UHFFFAOYSA-N	519.004	3.727	10	10	KHCE	
CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	2313558819	KMWBSABOQCVWMP-UHFFFAOYSA-N	598.390	3.602	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=N)N21	96460593	VVFHUJIYDOQZCW-MRDWGVERSA-N	506.009	3.768	10	10	KHCE	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)c(C(=O)O)c1	111342795	BXHJDVXJHWGGDE-JMSHBIQUSA-N	521.511	3.759	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864012435	ZUMFPSAAJXHJCC-QHCPKHFHSA-N	527.021	3.930	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCn1ccnc1)[C@@H]2c1ccc(O)c(O)c1	1864015316	OGIDLSQXZHUYBD-HSZRJFAPSA-N	528.613	3.715	10	10	KHCE	
C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C[C@@H](C)O1	1865031422	GPXOMFKLTPNGTH-BIENJYKASA-N	530.503	3.633	10	10	KHCE	
CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)CC1	1865031821	OUEHJUPLBFWCKE-HXUWFJFHSA-N	543.546	3.550	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)=C(N)O3)cc1	1865033455	AFQPGHUDZDPTEI-ZMPRRUGASA-N	504.587	3.706	10	10	KHCE	
CCc1nn(C)c2c1[C@H](c1c[nH]c3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865373680	QNPHVFJYWXEXQL-DEOSSOPVSA-N	512.614	3.516	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869038383	SDOPUCFXHYOFCA-NGQVCNFZSA-N	569.658	3.757	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OC(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1	101399092	WVBCPPJXQKMGET-JVWYAVPJSA-N	532.987	3.579	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	102824456	KQNLSXXVJAWOKL-KOXKPCSVSA-N	505.669	3.799	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1O	248148183	IPJUKCYBJOGWOT-AMZZYFJHSA-N	565.966	3.787	10	10	KHCE	
CCN1/C(=C\C=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(CC)c2=O)Sc2ccc(OC)cc21	254615435	ASNUFGUMUZBIJP-MPAJEQCNSA-N	518.664	3.766	10	10	KHCE	
COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)sc(C)c1-c1ccc(C)c(C)c1	1860748985	RIHQTTUGOGPXAN-UHFFFAOYSA-N	508.600	3.936	10	10	KHCE	
CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1cc(C)cc(C)c1)=C(N)O2	1864013689	FIOLUFZTKAMABN-HSZRJFAPSA-N	506.603	3.773	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1	1864016277	LCCPQIMUZWBSBJ-QFIPXVFZSA-N	506.603	3.999	10	10	KHCE	
CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2	1864017302	JJGZIIPGGFBSME-RUZDIDTESA-N	542.592	3.874	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccn1	1865381871	HJLZJJPVWANJBK-HXUWFJFHSA-N	542.562	3.759	10	10	KHCE	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866605825	YJCRYQQSKWNEAM-MRXNPFEDSA-N	547.523	3.608	10	10	KHCE	
CC[C@](C)(NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867297925	NWNYUDKQVKZUIG-UHSQPCAPSA-N	508.663	3.920	10	10	KHCE	
CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1	1871552079	MNCAFNUMCGVOIZ-UHFFFAOYSA-N	512.456	3.769	10	10	KHCE	
CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	2296706617	AEVVHZNLQCDCHY-QGZVFWFLSA-N	504.678	3.533	10	10	KHCE	
COc1cccc(OCCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	2297345951	QQNBOSRWVXEDBX-UHFFFAOYSA-N	542.639	3.943	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1	2314842440	VSMGBTIEFSAXNE-UHFFFAOYSA-N	642.575	3.960	10	10	KHCE	
CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=O)N=C2S1	20207809	QHCRQAQKPOPUMP-PTMKURNPSA-N	519.004	3.809	10	10	KHCE	
Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)cc1	35960453	LNCUAXGHSNVNDI-NDEPHWFRSA-N	531.632	3.625	10	10	KHCE	
COc1cc(OC)nc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(I)cc4)N=C3C)cc2)n1	101125584	WBKVMSJKWFCKCX-CPNJWEJPSA-N	620.429	3.618	10	10	KHCE	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C1=O	1084229843	LVFMTPLHDSOBCQ-ZROIWOOFSA-N	539.180	3.616	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1	1862285724	RJBZYQCHOBAEBW-VWLOTQADSA-N	502.571	3.602	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2	1864018336	IXKVRSRXSHGKMV-JOCHJYFZSA-N	527.021	3.794	10	10	KHCE	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2	1865026994	CMLVCQZBWBGPIX-AREMUKBSSA-N	508.578	3.931	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccn4)[C@@H]3c3ccc(F)cc3)CC2)cc1	1865514043	KCVGTHPWMZWQCS-SANMLTNESA-N	540.599	3.767	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4Cl)cn3CCN(C)C)CC2)cc1	1870343236	MCKYEVAJILRUKO-UHFFFAOYSA-N	511.066	3.973	10	10	KHCE	
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)c1	2294093873	ZFYBZYVAQUXWLC-UHFFFAOYSA-N	588.139	3.885	10	10	KHCE	
O=C(O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	2313559651	JNIHQLPFGLHNSM-UHFFFAOYSA-N	514.115	3.886	10	10	KHCE	
CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O	33812645	WOXFGHFQXWGSDA-KQWNVCNZSA-N	521.712	3.982	10	10	KHCE	
COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)Nc4cccc(NC(C)=O)c4)n3)CC2)cc1	106207689	MZYVJOYPOBGUIJ-UHFFFAOYSA-N	539.683	3.732	10	10	KHCE	
CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O	110523906	ZREBTKMCIZMUCR-KQWNVCNZSA-N	538.695	3.728	10	10	KHCE	
CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCN1CCCC1)[C@H]2c1ccc(O)c(O)c1	1864023258	WQQIUVVBXGUJQU-IBGZPJMESA-N	537.583	3.656	10	10	KHCE	
CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(O)CC1)=C(N)O2	1865030056	BDCHXBSDSIMOQQ-HSZRJFAPSA-N	539.032	3.626	10	10	KHCE	
Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867196708	AGWHTSLUPFAJDF-HSZRJFAPSA-N	588.414	3.846	10	10	KHCE	
COCCNC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870969807	ZVLUQDXOHOBZEO-UHFFFAOYSA-N	513.598	3.789	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1	1873167973	FFGLZXRONYAWPQ-UHFFFAOYSA-N	514.674	3.926	10	10	KHCE	
CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O	1873170322	VKYJIYGZJJEWQU-UHFFFAOYSA-N	564.708	3.818	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1	39716294	UIYXYOYDXLMMSG-KNTRCKAVSA-N	527.672	3.507	10	10	KHCE	
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(S(N)(=O)=O)cc4)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1	102370729	ODERJRLEPRNUQK-FTJBHMTQSA-N	606.730	3.587	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1	1861991374	KBTFCEAPIFVZEK-QFIPXVFZSA-N	513.082	3.804	10	10	KHCE	
Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864010709	AXTLFEDHOBMBHL-VWLOTQADSA-N	544.539	3.530	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC)=C(N)O2	1864011872	ZHZKDTZDHQKMIG-OAQYLSRUSA-N	512.994	3.737	10	10	KHCE	
Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1	1865031567	JXMBZCPAHCZBQY-AVYPCKFXSA-N	544.530	3.941	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2	1865034705	CDYQKMXJRUDDAX-XMMPIXPASA-N	509.566	3.520	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)(C)C)cn3Cc3ccccc3)CC2)cc1	1870445043	NKYRSYKGVWEVLC-UHFFFAOYSA-N	519.642	3.948	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3C[C@@H]3CCCO3)CC2)cc1	1870564611	WQMSJCKZXVETIT-VWLOTQADSA-N	508.619	3.542	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3cccs3)CC2)cc1	1874643311	WBQADEGUUNLRGB-SANMLTNESA-N	502.640	3.857	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CC=Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	2326513475	CCIJISAUNLONCI-SANMLTNESA-N	529.641	3.565	10	10	KHCE	
O=C(COc1ccccc1/C=C1/SC(=S)N(NC(=O)CCN2CCCCC2)C1=O)Nc1ccccc1	35519867	GUEFENLCZCBMRK-OQKWZONESA-N	524.668	3.813	10	10	KHCE	
CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O	40066741	LTCPITWAYGYNJU-BKUYFWCQSA-N	512.657	3.941	10	10	KHCE	
CCCC[C@H](NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862165113	QPJGKMMXQKTVQC-DPPGTGKWSA-N	520.674	3.629	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2	1864010895	QKKKYAAXMWVGHN-QFIPXVFZSA-N	535.004	3.666	10	10	KHCE	
C[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867375664	ODVKEUSBHSJDIT-FDDCHVKYSA-N	501.469	3.977	10	10	KHCE	
CCC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868692689	FBJHTPYOUIJCCY-FTJBHMTQSA-N	521.658	3.984	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3CCCN(C)C)CC2)cc1	1870615392	HXRGPDKDIZBZOB-UHFFFAOYSA-N	508.638	3.849	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	2296698741	KYTOKIZJVQHXIY-UHFFFAOYSA-N	519.696	3.935	10	10	KHCE	
COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(=O)NCc3ccc(F)cc3)CC2)cc1	20289326	YZJGWDMQQBCBCE-CLOONOSVSA-N	510.635	3.580	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1	101397428	YNJXNMAKWVHRKT-ADKREUBMSA-N	542.639	3.781	10	10	KHCE	
Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Br)cc1	101397973	CKFPXGHYSAEQLD-PTIPPUJDSA-N	547.412	3.598	10	10	KHCE	
CCN(CC)CCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC(=O)N(CC)CC)cc2)c1C(=O)OC	1860763238	ABCXXTSZKKAXDD-UHFFFAOYSA-N	574.744	3.934	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)c1	1864011917	MVASFTLBNDRMQE-XMMPIXPASA-N	506.603	3.504	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864012082	QOZAGEKZJNJVFS-AREMUKBSSA-N	533.673	3.892	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC)cc1)=C(N)O2	1864014199	PFBOQPVCRSEBIT-QHCPKHFHSA-N	534.613	3.700	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1	1864015622	SZAMZGCZGHTRLM-GOSISDBHSA-N	518.492	3.540	10	10	KHCE	
O=C(Cc1ccc(N2CCOCC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866906803	CLDVQZZAHAEMSD-PMERELPUSA-N	589.648	3.913	10	10	KHCE	
COc1ccc(N2CCN(c3nc(NC(=O)COc4cccc(OC)c4)n(-c4ccccc4)n3)CC2)cc1	1869970265	HBXBOKKOPWKBIX-UHFFFAOYSA-N	514.586	3.629	10	10	KHCE	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c1	101013559	VMVDMOQKIBYFFC-BWAHOGKJSA-N	592.747	3.737	10	10	KHCE	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	207327703	UCRQBNFFNANRBK-DBRLUCFCSA-N	518.682	3.704	10	10	KHCE	
CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526311622	HWYWCPLVMOBZJE-XMMPIXPASA-N	510.568	3.837	10	10	KHCE	
CCc1sc(NC(=O)C(=O)N[C@@H](C(=O)O)C(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1	1860764115	ZVLAURFOHYVQER-MRXNPFEDSA-N	511.394	3.691	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)Cc3cc(Cl)ccc3SC)CC2)cc1	1861897519	NLDAGTKDKWBGRZ-OAQYLSRUSA-N	506.093	3.863	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864012718	HPZZDCQCCVLBOF-RUZDIDTESA-N	533.673	3.838	10	10	KHCE	
CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864020164	WPGLKCCGUWPJFN-QHCPKHFHSA-N	500.555	3.817	10	10	KHCE	
CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867518372	NZKMACYIGTXIIY-WDYNHAJCSA-N	591.753	3.627	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3sc(CNC(=O)OC(C)(C)C)nc3C)CC2)cc1	1868922519	KITVWFCGUGAGGX-OAQYLSRUSA-N	577.773	3.685	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1	1868944160	ULUBTKJESNKALF-ZTOMLWHTSA-N	531.653	3.979	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1	2297346032	XVQWOPOPTIUECC-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	2313682778	KMONAGULVQLVNZ-UHFFFAOYSA-N	505.556	3.534	10	10	KHCE	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	2314509519	VBTKEQHJUUOGFR-KRWDZBQOSA-N	541.676	3.800	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCN(C)CC3)nc12	100886439	LAYZBDUXAICMCH-XSFVSMFZSA-N	526.087	3.810	10	10	KHCE	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	102682782	XFUVDCNDHOQQBB-LYUVJKPTSA-N	536.635	3.724	10	10	KHCE	
CN1C(=O)/C(=C\c2ccc(O/C(=C(\NC(=O)c3ccccc3)C(=O)NCCO)c3ccccc3)cc2)SC1=S	102860080	XUUSQHIJIYZBFF-RHMHFBJLSA-N	559.669	3.804	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]32)c1O	248381451	TVRQPGPFNHWXBE-PCEYSVKOSA-N	553.571	3.601	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2	1865030540	LUBIZMCGQSCRSY-RUZDIDTESA-N	532.641	3.529	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)CC1	1865032384	BIJFOHZZHNLFJB-HSZRJFAPSA-N	538.048	3.748	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	1874642553	HZBDHNPCZJLRPG-HHHXNRCGSA-N	527.581	3.775	10	10	KHCE	
COCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1	1875215909	CSDFTFCYOZESDQ-UHFFFAOYSA-N	514.630	3.899	10	10	KHCE	
CC[C@@](C)(NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861994443	QZSLPOVRZNYOFV-RNWIMVQKSA-N	510.654	3.680	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864013156	RBGJMQUGVXXTCB-HSZRJFAPSA-N	500.555	3.899	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(N(C)C)CC1)=C(N)O2	1865031075	YHJDUSFVNAZOIV-SANMLTNESA-N	545.684	3.851	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2	1865033437	ZOVCHBBXTLOZKG-WZONZLPQSA-N	539.032	3.957	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2	1865034719	CKAGFPCWHZZGDF-QHCPKHFHSA-N	506.578	3.997	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccc[nH]3)CC2)cc1	1865598203	HHKCBJUFTHWBGP-VWLOTQADSA-N	510.598	3.561	10	10	KHCE	
CCC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867720107	UAXWKBJYNJYQSO-SVBPBHIXSA-N	508.663	3.920	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1	1869138589	RNCRMTYOJOHRMF-AREMUKBSSA-N	502.638	3.933	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1Cl	2297345237	FFVOCGDELJTUMA-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccc(C)cc4)c(OC)c3)C(=N)N21	2297345507	CWLLOQICHXFATM-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE	
O=C(O)CCCNC(=O)CCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S	2314831177	FBHSFVXAKJSTKH-UHFFFAOYSA-N	566.293	3.880	10	10	KHCE	
CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3OC)nc2s1	101498211	UPTPRECNUISXFV-DQWSGNQTSA-N	537.627	3.576	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1O	1084534377	HNOJMGWMPNRRRO-SDQBBNPISA-N	557.138	3.743	10	10	KHCE	
CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1	1864017078	DXJVIWOXPOVCSX-HJPURHCSSA-N	527.581	3.963	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(NS(C)(=O)=O)cc2)N2CCCCC2)cc1	1867614602	YZIRACLDLJKKKI-LOYHVIPDSA-N	591.778	3.809	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(-c4ccc(F)cc4)n3)CC2)cc1	1867986904	XCHYSPORKSCLOX-UHFFFAOYSA-N	505.594	3.961	10	10	KHCE	
CC(=O)NCCN1C(=O)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873422175	JTUONZMQIPJFOS-UHFFFAOYSA-N	521.961	3.984	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@]3(OC(=O)c4c(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cccc43)[C@@H]2C=C1	2069787983	RJJVBDLSWSRSOI-CEQYTIJJSA-N	632.718	3.649	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1	20207797	ZPRRSJQLENUREB-OOFGAGLLSA-N	519.004	3.857	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1	110572135	SSHTVJTZDFOKSW-FVIPPFNKSA-N	602.742	3.820	10	10	KHCE	
O=C1c2ccccc2C(=O)c2cc(NC(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ccc21	1858626264	MLPIENCMFXNREB-UHFFFAOYSA-N	509.971	3.654	10	10	KHCE	
COc1ccc(CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1861938137	CRSIBXJDRSJUJA-NDEPHWFRSA-N	519.617	3.852	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865033303	WOHDXKSPINFYHD-HLFMIMNKSA-N	525.005	3.830	10	10	KHCE	
COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)cc1	1865879223	UPOFERKJWHBERM-SANMLTNESA-N	523.593	3.810	10	10	KHCE	
CC(C)C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O	1868019981	ZLQFCIBDAYSRGF-FTJBHMTQSA-N	534.657	3.805	10	10	KHCE	
COc1ccccc1-c1nc(CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1	1868134803	YJXITMBCVKYBIJ-UHFFFAOYSA-N	509.518	3.731	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)CC2)cc1	1868602114	UCSACOIIDLITTN-QFIPXVFZSA-N	552.741	3.951	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3CCCN(C)C)CC2)cc1	1870600536	VTRBXICDGKYOKB-UHFFFAOYSA-N	520.674	3.589	10	10	KHCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)cc1	2294093746	LDNAMOWXNKVDLY-UHFFFAOYSA-N	574.112	3.576	10	10	KHCE	
O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1C[C@H]1CCCO1	2314476631	SDXOKPVMZYYAKU-HSZRJFAPSA-N	596.756	3.940	10	10	KHCE	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1	2314828884	POZIORVSEBDXTB-IIDMSEBBSA-N	536.722	3.882	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1	104558946	HDXMWMJOCIAVKK-NLPPSYTOSA-N	528.612	3.554	10	10	KHCE	
NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1	1865034309	SYBMNRLGRINMMI-SFHVURJKSA-N	518.467	3.818	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1cccnc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865396602	DEURZZUSOYHCDF-XMMPIXPASA-N	516.646	3.693	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)N=c4cc(C)o[nH]4)nc(Cc4ccccc4)n3)CC2)cc1	1869061450	RUKUWLZEIOXQNX-SANMLTNESA-N	553.667	3.728	10	10	KHCE	
CCCCOC(=O)COc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870763784	RRIDPTFVVWWCRN-UHFFFAOYSA-N	509.603	3.543	10	10	KHCE	
COc1ccc(CN=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]c(=Nc3ccccc3C)[nH]2)cc1	1871484621	PSQNHPOPPXMXSS-UHFFFAOYSA-N	511.630	3.723	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873168590	ASCOOWOPWXABCK-UHFFFAOYSA-N	566.706	3.995	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	2296544550	ZWWJRTGZOMWUQB-UHFFFAOYSA-N	578.716	3.927	10	10	KHCE	
Cc1cccc(OCCn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	2297345160	YBUVOYJFDJVXTI-UHFFFAOYSA-N	507.597	3.650	10	10	KHCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)c(OC)c1	2313541452	INFHRTGGCWSCEP-UHFFFAOYSA-N	505.552	3.641	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12	2314401465	ZKCIYIGXEWQRGA-RTBURBONSA-N	602.742	3.820	10	10	KHCE	
CCCOc1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OCC	2318683218	AGQZWMLBUPKWEF-UHFFFAOYSA-N	506.671	3.965	10	10	KHCE	
CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)c(C)c(C#N)c1=O	33468035	JUEZHUOZKRKGIQ-HAVVHWLPSA-N	521.712	3.634	10	10	KHCE	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	39389099	VIJRKWAYHPZQSF-NGIIGVMLSA-N	506.628	3.738	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1	100849808	BLCCBHNAESKOIX-LTGZKZEYSA-N	549.678	3.683	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(O)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	1084163541	SOHYKHLXUVUAAI-SANMLTNESA-N	513.619	3.723	10	10	KHCE	
Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@@H]3c2ccc(O)c(O)c2)c1	1864012052	PWIMRDAMLDSMQA-RUZDIDTESA-N	511.582	3.674	10	10	KHCE	
CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864015440	RGJVTKPPOKKCRS-IBGZPJMESA-N	532.519	3.928	10	10	KHCE	
CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019750	QAXWSYSYTYRSPS-JOCHJYFZSA-N	526.037	3.652	10	10	KHCE	
CSCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866857182	LDPQJGJRRDWWNG-NRFANRHFSA-N	537.544	3.555	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1	1867689688	INUAUBPMQBGGLR-JHOUSYSJSA-N	698.286	3.817	10	10	KHCE	
COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3ncncn3)CC2)n1	1868254591	VCBMNIIZPYTPGM-UHFFFAOYSA-N	521.581	3.754	10	10	KHCE	
COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)C[C@H]1C	1869070514	CWJJBBDMVUCRIV-JWQCQUIFSA-N	530.717	3.948	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3c(C)n(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=N)N21	2297345484	BBQGKLAFPMGJJY-UHFFFAOYSA-N	535.607	3.738	10	10	KHCE	
CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccc(Cl)cc2)C1=O)C(=O)O	2314934428	ZQUZAUJHVQVORA-OAHLLOKOSA-N	513.018	3.677	10	10	KHCE	
C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)C(=O)O	15045076	RCYZOCYBOPYKMN-MKVLZVNKSA-N	501.424	3.506	10	10	KHCE	
COc1ccc(-c2nn(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c3noc(C)c23)cc1	21884066	HTMSLUPTSADDHG-UHFFFAOYSA-N	517.586	3.506	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	35375487	VXTUHGHIZBKUHA-UQKXMBGOSA-N	522.652	3.718	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	102845502	OYIZKLUQPUVYMV-HMMYKYKNSA-N	570.096	3.659	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	110073351	QNANMFQYGUKSKK-QYJRXKHCSA-N	594.784	3.850	10	10	KHCE	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110077394	DODUULCMRWOICX-FXBPSFAMSA-N	576.704	3.737	10	10	KHCE	
Cc1cc(Cl)ccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826130	AHUMABGPCIEYTA-VXPUYCOJSA-N	516.000	3.680	10	10	KHCE	
C[C@@H](C(=O)Nc1ccccc1Cl)N1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21	1860826524	FYQKQJMOXBEUKE-OUIWWDRTSA-N	516.000	3.760	10	10	KHCE	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc4c(c2)OCO4)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008518	LWEGCXJIWUQJPV-RUZDIDTESA-N	526.549	3.640	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(CC)CCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1	1865033573	CUKQEYRXMKZBFB-LJQANCHMSA-N	531.535	3.904	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865381150	WGLYNSMRNKYTGA-DEOSSOPVSA-N	516.646	3.693	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(F)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865522483	DELIYMWMRWNNED-QHCPKHFHSA-N	505.594	3.657	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866627770	TUYAYSRCGIJQBC-RUZDIDTESA-N	591.711	3.882	10	10	KHCE	
C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867908576	WPDMHUHCXLIEDE-PIKZIKFNSA-N	571.678	3.604	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCc3ccccc3F)CC2)cc1	1868600364	UXDBNFQWNUDVLC-HHHXNRCGSA-N	505.590	3.549	10	10	KHCE	
CCCCN(C)C(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870950439	ACOAMMXAMHMNIT-UHFFFAOYSA-N	519.646	3.977	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)CC2)cc1	1872717860	YHLMWZWSQZVYGG-UHFFFAOYSA-N	509.628	3.840	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCCOc1ccccc1	2297345419	UZTZTNGFWLCQLE-UHFFFAOYSA-N	528.612	3.554	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl	2297346310	UUVXRJPRKSWBDN-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccccc3F)SC2=S)cc1	2314831457	LJTXULBCCCOYIY-UHFFFAOYSA-N	507.634	3.873	10	10	KHCE	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1	33330361	JLTADXPIGIGQJP-PXLXIMEGSA-N	519.696	3.935	10	10	KHCE	
CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	110076019	DGQGSSJEBPNPBW-CYVLTUHYSA-N	532.651	3.720	10	10	KHCE	
CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2O)N3)CC1	226721215	DSLODMQPFMEHQP-PNCHPQGNSA-N	504.450	3.917	10	10	KHCE	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccc(OC)cc3N2C)c(=O)n1-c1ccccc1	254812808	ZXBVVAOAQUJZAI-UHFFFAOYSA-N	598.706	3.722	10	10	KHCE	
COc1ccc(OC)c(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C\c5cc(OC)ccc5OC)S4)CC3)=NC2=O)c1	1084186152	IXGQHFFBLUZTDE-REPVBDINSA-N	580.688	3.979	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)COc3ccc(C)c(C)c3)CC2)cc1	1862193951	DIHBSYBLRDOPRG-MUUNZHRXSA-N	501.627	3.767	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864013157	RBGJMQUGVXXTCB-QHCPKHFHSA-N	500.555	3.899	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@H]2c1ccc(O)c(O)c1	1864015656	UOQZUKGCCRFIEE-HNNXBMFYSA-N	528.409	3.880	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1	1865033145	STRJMVOULNVESE-QFIPXVFZSA-N	527.021	3.815	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867804025	DVXXLZUAIZAHPW-ISKFKSNPSA-N	541.649	3.530	10	10	KHCE	
CC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868693375	MTKVLWQDNIOUKF-RPBOFIJWSA-N	507.631	3.594	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC	2294134093	RPILKDRMWKEVEL-UHFFFAOYSA-N	512.687	3.628	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12	2296707910	XTFMMFUVCGJQMZ-KRWDZBQOSA-N	536.635	3.724	10	10	KHCE	
CCc1cccc2c(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCCC3)c12	2297508768	IGPMGACUDKTMKA-UHFFFAOYSA-N	576.719	3.754	10	10	KHCE	
COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(C)s1	2314488266	KZNOZSDFSZTJIS-UHFFFAOYSA-N	502.599	3.867	10	10	KHCE	
Cc1nn(CCCC(=O)NCc2ccc(N(C)C)cc2)c(=O)c2c(-n3cccc3)n(-c3ccccc3)nc12	33261402	AAQUCZBWFDFJRH-UHFFFAOYSA-N	509.614	3.844	10	10	KHCE	
Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)CC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C1	35962882	MDJOXRQFJBINLL-RUZDIDTESA-N	528.097	3.953	10	10	KHCE	
COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	211943896	CFCYLODNBQPNEQ-ZVGIRDNDSA-N	502.614	3.704	10	10	KHCE	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC	1084176494	HVECWFWBULLWHD-NTUHNPAUSA-N	510.138	3.895	10	10	KHCE	
CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865027970	SBERQBNPFAFPNI-AREMUKBSSA-N	536.636	3.882	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3C)CC1)[C@H]2c1ccc(O)c(O)c1	1865029275	JPFAFUFJYGIIFZ-VWLOTQADSA-N	517.630	3.673	10	10	KHCE	
Cc1nnc2sc(CCC(=O)N[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)nn12	1867042670	KKZIXSNNRUAWCD-VWLOTQADSA-N	550.600	3.698	10	10	KHCE	
COc1cc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC	1867804147	MQDNCXIMNWZURN-ZCYQVOJMSA-N	587.743	3.873	10	10	KHCE	
CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867921896	DAIBVOCBJKAUTB-FQLXRVMXSA-N	585.705	3.994	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)C(C)C)CC2)cc1	1868756128	VUZKYTGQAPVANF-HHHXNRCGSA-N	503.647	3.816	10	10	KHCE	
O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S	2295934268	RSXRGDYCYWPQBL-UHFFFAOYSA-N	535.525	3.737	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	2296846667	OLAFOUKPRBFKGJ-NRFANRHFSA-N	565.696	3.849	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1Cl	2297345895	LELMFGIGYIIEKI-UHFFFAOYSA-N	549.030	3.818	10	10	KHCE	
C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1)C(=O)O	2314930761	IYZUUCIAJDQQMJ-LLVKDONJSA-N	507.387	3.847	10	10	KHCE	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	20287665	HTQRLGCRLGSERF-HAVVHWLPSA-N	523.571	3.744	10	10	KHCE	
CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O	39991332	QXPDTSAYUMMROH-POKCEJIYSA-N	518.705	3.680	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100851057	FCWBGWLFEKRUFR-JWVFHTHZSA-N	550.662	3.747	10	10	KHCE	
CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])[C@H](COC(=O)c2ccc(C)cc2)O[C@@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21	1857788639	OITVYNLIELPNNX-AIFZUELHSA-N	556.539	3.752	10	10	KHCE	
CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864011781	YHCBIZHTLAMVEO-XMSQKQJNSA-N	525.005	3.879	10	10	KHCE	
CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015833	WUEBROCDDYYPGH-SFHVURJKSA-N	518.492	3.922	10	10	KHCE	
CCOC(=O)CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1	1865029793	VLKGZKDICHZNTA-VWLOTQADSA-N	534.613	3.545	10	10	KHCE	
CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865033225	VAIZGDVZGRPQGR-SANMLTNESA-N	540.620	3.870	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(OC)cc1OC	1865538580	PFCLJBMVVDHTOG-AREMUKBSSA-N	547.656	3.671	10	10	KHCE	
Cc1nnc(NC(=O)COc2cn(C[C@@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)s1	1871021955	SYRHBHUJLUIEBN-QGZVFWFLSA-N	520.615	3.762	10	10	KHCE	
COCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	2296540256	IMZTWMHIECPTGZ-UHFFFAOYSA-N	542.086	3.522	10	10	KHCE	
CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864015389	QETZITWPYDHJSN-XIKOKIGWSA-N	518.492	3.920	10	10	KHCE	
NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1	1864016347	MWRZRWGFRBFQQP-QHCPKHFHSA-N	521.533	3.950	10	10	KHCE	
CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864017142	GOXWEPVGCPDVHE-HSZRJFAPSA-N	500.530	3.996	10	10	KHCE	
CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@@H]2c1ccc(O)c(O)c1	1864023111	ULYACFMDQODMFG-CWTRNNRKSA-N	548.518	3.922	10	10	KHCE	
CN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1	1865031255	CNVFXPQKHLJATH-QHCPKHFHSA-N	547.011	3.808	10	10	KHCE	
CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865033297	WKNMXVHANKZKRV-SANMLTNESA-N	545.684	3.769	10	10	KHCE	
CC[C@@](C)(NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867644355	DWESJSAZSVRJAM-GGXMVOPNSA-N	507.679	3.953	10	10	KHCE	
COc1cc(C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC	1867804146	MQDNCXIMNWZURN-UKILVPOCSA-N	587.743	3.873	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(C(C)C)n3)CC2)cc1	1869105576	JLHPYSZPMFNKDK-AREMUKBSSA-N	504.610	3.752	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314764877	OHJGMIFSOPEWPS-UHFFFAOYSA-N	626.938	3.895	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1OC	100850383	YELZPWLIJRHIKH-YMQCXJOPSA-N	566.705	3.769	10	10	KHCE	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	102834188	HOEOYPBHMQJGBA-XUTLUUPISA-N	576.741	3.912	10	10	KHCE	
N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12	104563678	GESWQCPUSCNEAY-LSZLNTRYSA-N	520.548	3.836	10	10	KHCE	
C/C=C1\CN2[C@H]3C[C@]45c6cc(OC)c(OC)cc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	257622845	XMPQOOTZKXFCNH-DHGSYYKCSA-N	636.698	3.540	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864019485	ZVMDOGACKSAWJP-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H](c3ccccc3)N(C)C)CC2)cc1	1868674874	GZAKOTVQSYTFHJ-WUFINQPMSA-N	518.633	3.513	10	10	KHCE	
COCCCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873559158	OLPLGXMMQIVEPO-NRFANRHFSA-N	506.651	3.675	10	10	KHCE	
O=C(CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874017317	NYZZZLLTQZAALE-OAQYLSRUSA-N	501.926	3.955	10	10	KHCE	
COc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1874643493	YWOYIUILAJYYDT-GDLZYMKVSA-N	526.637	3.804	10	10	KHCE	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1	2297312526	YBLIYUZXBZZZIY-UHFFFAOYSA-N	569.153	3.913	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1OC)C(=O)c1ccc(OC)cc1	35962402	MUKJOVJSEKDNDF-RUZDIDTESA-N	504.587	3.509	10	10	KHCE	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1	59250471	BOQHBSONWOXETH-UUYOSTAYSA-N	501.495	3.774	10	10	KHCE	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	103849421	IWYGUHKKSGWGCP-AUWJEWJLSA-N	570.165	3.959	10	10	KHCE	
Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2	1864008234	GKXCZHUYNLRNHO-DEOSSOPVSA-N	546.967	3.985	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864012655	FYCAYPBCXBMXNO-XMMPIXPASA-N	546.603	3.532	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2	1864014155	OHQUSTYLDQHBPC-XMMPIXPASA-N	530.629	3.833	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N(C)C2CCCCC2)=C(N)O3)cc1	1865034452	WSSBOKFRWQGCME-JOCHJYFZSA-N	504.587	3.993	10	10	KHCE	
CN(C)c1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2nccn2C)cc1	1866010395	AINDGLNVGVCTTQ-HSZRJFAPSA-N	516.067	3.834	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1	1868789632	CIJZPDCCPWNLSZ-VAVYLYDRSA-N	572.731	3.815	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(CCc3ccccc3)C2=O)cc1	1873170389	XSNYPGQTTZISFG-UHFFFAOYSA-N	512.654	3.729	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)COc3ccccc3)CC2)cc1	1874642637	JZRMTSSNURAAAA-NDEPHWFRSA-N	512.610	3.632	10	10	KHCE	
COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)CC1	2296696690	NBEKLAHXTVFULB-UHFFFAOYSA-N	535.695	3.887	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(Cl)cc1	2297345399	SXDKPLIVZIMSJN-UHFFFAOYSA-N	532.987	3.579	10	10	KHCE	
Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	2297470573	LPFYMSFVIKBMSV-UHFFFAOYSA-N	528.997	3.755	10	10	KHCE	
COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)cc2)n1	2297620328	WBKVMSJKWFCKCX-UHFFFAOYSA-N	620.429	3.618	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1	2328595040	WJNISLXOWGCCLG-MHZLTWQESA-N	500.555	3.823	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101283109	OBZDCLPIDSZSSF-NBZOHKLQSA-N	569.101	3.905	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=N)N21	101395864	QFELVWODGRORMT-LUNMECBOSA-N	536.035	3.776	10	10	KHCE	
CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O	110528168	YJBJZRRVGPHYJR-ULJHMMPZSA-N	604.758	3.869	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1	1864012083	QOZAGEKZJNJVFS-SANMLTNESA-N	533.673	3.892	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(C)C)=C(N)O2	1864019249	XENNCVNWLRLVEI-OAQYLSRUSA-N	546.455	3.584	10	10	KHCE	
CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864020071	VLSOFXRESVRDEF-QHCPKHFHSA-N	549.031	3.656	10	10	KHCE	
CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865038651	WYQXKOICZOWTHA-DFBJGRDBSA-N	526.593	3.677	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(-c3ccccc3)cc2)N2CCCCC2)cc1	1867352405	BDMDRIOAPWLNTQ-WDYNHAJCSA-N	514.670	3.854	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867437237	DBTJHKZHSQKMAK-QVWWMRLHSA-N	561.727	3.999	10	10	KHCE	
CCc1nc(N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1867958473	YCHLPHQHZGSWLG-UHFFFAOYSA-N	562.715	3.722	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(Cc4ccccc4)n3)CC2)cc1	1869080576	SOLSOJBQRXQHJL-UHFFFAOYSA-N	522.657	3.972	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CCCCCO)CC2)cc1	1870691178	NGNXSXBDBAISKE-UHFFFAOYSA-N	505.659	3.963	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCCCCN4CCCC4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1	1871477337	AZUXJDUHSCWYPF-UHFFFAOYSA-N	516.694	3.969	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1F	2297345494	BRIMPWXXXWAOPH-UHFFFAOYSA-N	544.586	3.701	10	10	KHCE	
O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)O)ccc1C(=O)O	59816314	TVNQBFRAFBKOFJ-YBEGLDIGSA-N	522.507	3.914	10	10	KHCE	
Cc1c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N	110520399	IFDFZALXNIANNV-KQWNVCNZSA-N	583.711	3.877	10	10	KHCE	
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	226637803	TUBBWXLSLPBXSN-UJAPCULTSA-N	500.617	3.996	10	10	KHCE	
O=C1[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](C(=O)O)(c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1	247345351	BEOAIHLBTCJGIS-YGWSKSRPSA-N	521.367	3.581	10	10	KHCE	
O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	1084607513	JNIHQLPFGLHNSM-XGICHPGQSA-N	514.115	3.886	10	10	KHCE	
CC[C@@](C)(NC(=O)C1CCN(Cc2cccc(F)c2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861978526	IBKAUQHHRRVQJF-GDLZYMKVSA-N	510.654	3.680	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(-c4ccc(C)c(C)c4)n(C)n3)CC2)cc1	1868756110	VIRYSUMUPDRAFE-RUZDIDTESA-N	535.714	3.913	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)CC1	33688555	WBJCBWOVXHOKIJ-ZBJSNUHESA-N	519.696	3.670	10	10	KHCE	
CCN1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S	100988841	FKMDJRZXFRGWRV-WEVVVXLNSA-N	517.151	3.823	10	10	KHCE	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCOCC4)=NC3=O)c2)C[C@H](C)O1	101013839	UJRJQHPJFGECKN-VNPDFKGRSA-N	593.731	3.640	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1	107313925	YHAJWZBQMJSAQI-MGLAESSXSA-N	514.626	3.878	10	10	KHCE	
CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	143236434	XCQRZQMNBJAUCC-HMAPJEAMSA-N	542.683	3.568	10	10	KHCE	
CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccc(I)cc4)nn3c2=O)cc1	1860795128	VMPPSYYZAOZJEW-AQTBWJFISA-N	502.381	3.817	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865029999	ZVDJWSMRDJKQKA-HHJKRLRDSA-N	532.641	3.934	10	10	KHCE	
CCOc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(C)nn3CC)cc1	1865276453	PREKZGLSPKHAFK-VWLOTQADSA-N	517.630	3.662	10	10	KHCE	
Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867190215	KLVKYPXBINMIAL-HNNXBMFYSA-N	537.528	3.840	10	10	KHCE	
COCCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O	1867514491	JMSHWNQNAXZOJI-SAIUNTKASA-N	655.796	3.775	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)CC2)cc1	1868612562	DDZXWIZJWUUFSA-AREMUKBSSA-N	566.724	3.538	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868995729	BPTBKPXGVNBAFZ-JOCHJYFZSA-N	518.662	3.770	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H](O)c5ccc(Cl)cc5)ncnc4n3C)CC2)cc1	1875198497	GNUZCXIZSRXTGA-DEOSSOPVSA-N	521.021	3.738	10	10	KHCE	
O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O)N1CCCCC1	2314833503	SPLRZARWUOWTTK-UHFFFAOYSA-N	504.200	3.966	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	96459806	RSEZWBLDDLDXHF-MRDWGVERSA-N	504.977	3.549	10	10	KHCE	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OC(C)C	1084630283	QZQUOHGHXRFMGC-CHHVJCJISA-N	564.332	3.872	10	10	KHCE	
CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccccc3OC)CC1)=C(N)O2	1865038676	XHHCYSOWRRVDMR-RUZDIDTESA-N	547.656	3.565	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C[C@@H]3CC(=O)c4ccccc43)CC2)cc1	1869033436	PSRCFNQLHZZEHO-RBISFHTESA-N	529.612	3.971	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(C)n5C)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1	1869166639	AGRDPPDMUZKZRF-UHFFFAOYSA-N	539.688	3.551	10	10	KHCE	
CCc1ccc(NC(=O)COc2cn(CC)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1	1870723015	JXAWJBASSYEATJ-UHFFFAOYSA-N	504.631	3.779	10	10	KHCE	
CCN(CC)CCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873168366	SJGPTDPYERTYAP-UHFFFAOYSA-N	502.663	3.782	10	10	KHCE	
CN1C(=O)C(=Cc2ccc(OC(=C(NC(=O)c3ccccc3)C(=O)NCCO)c3ccccc3)cc2)SC1=S	2296729555	XUUSQHIJIYZBFF-UHFFFAOYSA-N	559.669	3.804	10	10	KHCE	
COc1cccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	2297345650	OYGLMBPQKFZHDL-UHFFFAOYSA-N	528.612	3.553	10	10	KHCE	
O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S	15038514	JATPSIKEUITNRB-PTNGSMBKSA-N	501.424	3.507	10	10	KHCE	
COc1cc(OC)nc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(Br)cc4)N=C3C)cc2)n1	101125332	VGHHGBUAAQKQPT-CPNJWEJPSA-N	573.429	3.776	10	10	KHCE	
COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N([C@@H](C)C(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1	101974618	JUAYGWLUCJZDJD-AUYHNMTDSA-N	561.037	3.729	10	10	KHCE	
Cc1cccc(C)c1O[P@@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])[C@@H](O)c1cccnc1	137787843	LRTYGGOWJQLVLF-XDLHGXKWSA-N	542.489	3.803	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1	1864015212	MLMGQPQFKMTVII-PCHWAAIBSA-N	504.509	3.630	10	10	KHCE	
CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867695251	ZSDNJYJUXYSIDI-FQLXRVMXSA-N	666.310	3.622	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1	1868832100	STVHAFQKCVZSCR-IARZGTGTSA-N	517.601	3.720	10	10	KHCE	
COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(CCCCCC(=O)O)C3=O)CC2)cc1	2296707748	FOBWUPJWOLPFMK-UHFFFAOYSA-N	593.731	3.876	10	10	KHCE	
Cc1cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)ccc1Cl	20207740	JVIDIMQFTPSFOL-HGPWHKJCSA-N	519.004	3.727	10	10	KHCE	
COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]32)c1O	248377066	FLUJZBAGJYEKBT-CHCBTGSZSA-N	520.582	3.847	10	10	KHCE	
COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1OC	1864010989	XVODMCWJCSIUIQ-MYYSRTQBSA-N	522.602	3.848	10	10	KHCE	
CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864018099	CJYALRHEOHSVHX-QHCPKHFHSA-N	532.000	3.964	10	10	KHCE	
CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2	1864018420	KVRHFRAATJFLND-IBGZPJMESA-N	502.493	3.906	10	10	KHCE	
CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2	1865029682	SSIHKZVJMBYRDS-QMHKHESXSA-N	539.032	3.815	10	10	KHCE	
Cc1cccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@H]3c3ccc(O)c(O)c3)CC2)c1C	1865034075	OJGZBZBOWCKIIE-HXUWFJFHSA-N	543.546	3.510	10	10	KHCE	
CCCc1nn(CC(C)C)c2c1[C@H](c1ccccn1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865380057	GVNYPMYBTCHOJA-VWLOTQADSA-N	530.673	3.939	10	10	KHCE	
Cc1cc(C(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc(S(N)(=O)=O)c1	1867236159	CNOHQNFHPFZKBG-SANMLTNESA-N	553.596	3.528	10	10	KHCE	
CSCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867695252	ZSDNJYJUXYSIDI-URLMMPGGSA-N	666.310	3.622	10	10	KHCE	
COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(C)c3)CC2)n1	1867952976	HSSKZEBOGHLDKT-UHFFFAOYSA-N	502.663	3.636	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCN3CCOCC3)nc12	2296698712	HYHMJSIAXXRWNP-LJQANCHMSA-N	535.695	3.709	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2314414311	VSJUYQRDEQYDAR-UHFFFAOYSA-N	576.704	3.655	10	10	KHCE	
CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21	101417747	VSXINKXKHYEYDV-UHFFFAOYSA-N	586.714	3.739	10	10	KHCE	
Oc1c(I)cc(I)cc1[C@H](CC(F)(F)F)N1CCNCC1	575288024	SCKUUDOBRYCCFJ-NSHDSACASA-N	526.078	3.500	10	10	KHCE	
COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	1084086368	GUGUTYCPHXDOFG-WCIBSUBMSA-N	524.121	3.615	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	1084234069	DAQIPXSMDBEFHF-AREMUKBSSA-N	535.666	3.662	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCc3ccc(C)cc3)CC2)cc1	1861939372	NIHMRHJLKPZNBV-MUUNZHRXSA-N	501.627	3.718	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1864016042	ZCBHHQAGCFMHKK-FQEVSTJZSA-N	546.546	3.826	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2	1864017566	PBRQEJZCNMTPNA-JOCHJYFZSA-N	517.973	3.905	10	10	KHCE	
Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	1868480468	BJPZKWFJWGASEG-UHFFFAOYSA-N	525.590	3.514	10	10	KHCE	
CCC[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868919879	RXNHQTBMSZNNCL-XMMPIXPASA-N	536.702	3.607	10	10	KHCE	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	105487189	SRIDQHRAKXGZBI-NJYVYQBISA-N	502.866	3.943	10	10	KHCE	
CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2	1864011890	ZSZDLXZJLPMNRG-HXUWFJFHSA-N	525.403	3.972	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1	1864022048	JMHCZRGVQSYMHA-HSZRJFAPSA-N	528.565	3.527	10	10	KHCE	
CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(CO)CC1)[C@H]2c1ccc(O)c(O)c1	1865031981	SMDPSQOZLGMFQR-QHCPKHFHSA-N	518.614	3.543	10	10	KHCE	
COCCc1nc(N2CCN(CCc3c[nH]c4ccccc34)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1	1869106951	OJYXMVHUBQCART-UHFFFAOYSA-N	555.727	3.847	10	10	KHCE	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)CC2)cc1	1872719433	GWJLZUXBNYQTJV-UHFFFAOYSA-N	509.628	3.840	10	10	KHCE	
O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	2297463146	KZWBLHDEBPMJQA-HNNXBMFYSA-N	522.944	3.956	10	10	KHCE	
COC(=O)c1ccc(C=CC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1	2331339319	XZXPSDVXCKIIJF-MUUNZHRXSA-N	513.594	3.701	10	10	KHCE	
Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100851060	FCWBGWLFEKRUFR-AUJYZJTISA-N	550.662	3.747	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	205948188	MTDTZOXNTSKBJJ-XQNSMLJCSA-N	577.648	3.847	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc4c(c2)OCO4)[C@@H]3c2ccc(O)c(O)c2)cc1	1864012010	PAAPHNWGFHFYHB-AREMUKBSSA-N	540.576	3.699	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1	1864015918	GNDCXXJVMYVZGU-DEOSSOPVSA-N	542.592	3.880	10	10	KHCE	
CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867338789	PWJFSZKWEAVOJE-RPWUZVMVSA-N	526.678	3.630	10	10	KHCE	
CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867338790	PWJFSZKWEAVOJE-ZEQRLZLVSA-N	526.678	3.630	10	10	KHCE	
CN(C)C1=C[C@@H]2Oc3cc(N(C)C)ccc3[C@]3(OC(=O)c4c(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cccc43)[C@H]2C=C1	2069787985	RJJVBDLSWSRSOI-RWFSRKOISA-N	632.718	3.649	10	10	KHCE	
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	100850894	QAHCQAKPJMIHFS-ZVCOJXFSSA-N	543.717	3.851	10	10	KHCE	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	103858680	VKUMTJXOBKDYOQ-DHDCSXOGSA-N	599.175	3.662	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1O	248136239	CTDZZMYPIXWMPG-AMZZYFJHSA-N	536.968	3.584	10	10	KHCE	
COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1OC	1864010801	WTZSFVYWDCSIDY-SGANQWHYSA-N	543.580	3.576	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864012059	PYPSLYHQTPHCLB-QHCPKHFHSA-N	517.973	3.710	10	10	KHCE	
COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1	1864016587	SXMZWDJFPTUEIH-QHCPKHFHSA-N	512.566	3.560	10	10	KHCE	
CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2	1865034766	DDQQACASGOGMJJ-HJPURHCSSA-N	506.578	3.997	10	10	KHCE	
CSCC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867298506	UFHNSIIAUNROME-RRPNLBNLSA-N	540.730	3.873	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1	1868976871	PBIRCEHQLKLUKY-XMMPIXPASA-N	522.671	3.979	10	10	KHCE	
CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1	1872717023	GSVPJMFBHOZZLK-UHFFFAOYSA-N	509.628	3.786	10	10	KHCE	
CCN1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCc3ccccc3)C2=O)CC1	2297460159	WBJCBWOVXHOKIJ-UHFFFAOYSA-N	519.696	3.670	10	10	KHCE	
COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC	2297476744	JNECYXDHRVFDGM-UHFFFAOYSA-N	538.651	3.732	10	10	KHCE	
Cc1c(N2C(=O)/C(=C\c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	100850966	GNZAITJMAYAIBX-BNKSZWPGSA-N	588.715	3.512	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1	1772719842	CPFGELDYLYVTQE-QFIPXVFZSA-N	526.456	3.627	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1	1864022041	JIFVHJZETBTFHE-QFIPXVFZSA-N	522.602	3.525	10	10	KHCE	
CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2	1865030937	VNPPQZCWNSKFID-SQJMNOBHSA-N	532.641	3.590	10	10	KHCE	
NC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1	1865031891	QROJNTFTYMQITH-QGZVFWFLSA-N	536.894	3.509	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@@H]2CO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1	1865032285	ZWELCHVYVPKUQT-RCZVLFRGSA-N	538.604	3.688	10	10	KHCE	
COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cc3C2=O)cc1	1865882876	KDUKVEBVSCKSHB-MHZLTWQESA-N	537.620	3.853	10	10	KHCE	
CC[C@](C)(NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867297926	NWNYUDKQVKZUIG-WNJJXGMVSA-N	508.663	3.920	10	10	KHCE	
CN(C)C(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I	2079232110	NNJGNOIUDPUYHJ-UHFFFAOYSA-N	507.172	3.981	10	10	KHCE	
COCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S	2296540355	YCAMRKRABDMLDE-UHFFFAOYSA-N	556.113	3.831	10	10	KHCE	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	2296676484	XIGLDBCHPWVDID-GVAUOCQISA-N	521.525	3.899	10	10	KHCE	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCOCC3)nc12	33795844	IQZZOWKRNDUMDQ-CPNJWEJPSA-N	513.044	3.894	10	10	KHCE	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	102684869	XCFCBDZKEXJONA-HKOYGPOVSA-N	608.742	3.935	10	10	KHCE	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)CC2)cc1	102861338	MKVSNMZLLLNHIG-PCCDRTMGSA-N	577.732	3.718	10	10	KHCE	
O=C(CSc1nnc(NC2=NC(=O)/C(=C3\C(=O)Nc4ccccc43)S2)s1)Nc1ccc(F)cc1	206384651	IXYZICSUVOSPEE-FOCLMDBBSA-N	512.573	3.813	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-n5ccnc5-c5ccccc5)nn4)C3)CC2)cc1	585224241	XWUNUCNVERVZQX-DEOSSOPVSA-N	523.641	3.903	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1	1862071939	CUPOJNJXJCSXDD-MUUNZHRXSA-N	512.610	3.501	10	10	KHCE	
Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2	1865026077	JIPFIHCNDPWZQM-YWTKSJFSSA-N	506.578	3.989	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@H](c1cccn1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865349907	NFGHUNVWZIFZDT-VWLOTQADSA-N	518.662	3.636	10	10	KHCE	
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1	1865971737	RQBQIGLTFDZRHW-VSGBNLITSA-N	563.518	3.936	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)Cc3ccc4c(c3)OCCO4)CC2)cc1	1868606823	QLPCQINRMZIUSN-MHZLTWQESA-N	561.704	3.776	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCc3csc(-c4ccccn4)n3)CC2)cc1	1868900853	FXNQMMNNIFSGOC-XMMPIXPASA-N	539.727	3.733	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@H]5C4)nc(-c4cccnc4)n3)CC2)cc1	1869370290	JUUQWPZYPQRKQM-MUUNZHRXSA-N	547.663	3.820	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=NCc4cccc(C)c4)[nH]3)CC2)cc1	1871469104	QRJXHAQAEOZVPZ-UHFFFAOYSA-N	509.658	3.892	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873425632	JDNJCNKQIFBICP-UHFFFAOYSA-N	529.597	3.917	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	2297460067	AIIYYEQKUIEHBS-GOSISDBHSA-N	549.678	3.935	10	10	KHCE	
CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1	2314767050	CXXYCCZIDDVNTA-UHFFFAOYSA-N	557.488	3.915	10	10	KHCE	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377662	DFSIXFLHHADSEY-XHOYQDIRSA-N	576.719	3.970	10	10	KHCE	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	102390775	PZRAAVNPLCVHHY-INKLHFNDSA-N	530.693	3.502	10	10	KHCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NN1CCN(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)CC1	106096949	HCYVBPTURYUOEP-REPVBDINSA-N	553.454	3.533	10	10	KHCE	
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1858990221	LBSJPVFGQXLUFY-UHFFFAOYSA-N	533.606	3.677	10	10	KHCE	
CCCOc1ccc(CC(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C	1861901218	JYBUBCNNEBAWGW-VWLOTQADSA-N	513.704	3.922	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2	1864013330	WAUYYZXDWQKWNN-HSZRJFAPSA-N	515.545	3.781	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCOC(C)C)=C(N)O3)cc1	1864016916	AIAYCUDVESOSED-HSZRJFAPSA-N	536.629	3.862	10	10	KHCE	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1	1865032013	SWITWNGDZIPWEY-VWLOTQADSA-N	537.620	3.537	10	10	KHCE	
COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(-c4cccnc4)n3)CC2)cc1	1869370291	JUUQWPZYPQRKQM-NDEPHWFRSA-N	547.663	3.820	10	10	KHCE	
CCCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O	1870659180	QYNWOTLNGVKVOR-NDEPHWFRSA-N	520.674	3.976	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4cccc(OC)c4)[nH]3)CC2)cc1	1871668782	CJHXQYUHORKPTP-UHFFFAOYSA-N	515.593	3.554	10	10	KHCE	
O=C(O)CCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	2296706790	UBXAGPLBVVLGOW-UHFFFAOYSA-N	570.096	3.741	10	10	KHCE	
COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cc(C)ccc1C	2297345340	OEHWJFQGNHJHTD-UHFFFAOYSA-N	542.639	3.781	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1	101398642	ZUYPECTXCBOGJK-MGGLCJOQSA-N	532.987	3.579	10	10	KHCE	
CO[C@@H]1O[C@H]([C@H](O)N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	169617954	DPFOYSKUEJRSRC-LEUYDSTFSA-N	547.520	3.663	10	10	KHCE	
CN(C)c1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1	248092592	YHAJWZBQMJSAQI-TUAOVVRQSA-N	514.626	3.878	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2	1864012554	CXPXUDWBLGQREP-DEOSSOPVSA-N	529.572	3.840	10	10	KHCE	
NC1=C(C(=O)NCc2ccccn2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1	1864015400	QJEMVTISRCXFKU-IBGZPJMESA-N	523.471	3.708	10	10	KHCE	
CN(C)c1ccc([C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)c2nccn2C)cc1	1865880437	RUCJUWAQQHWNNW-SANMLTNESA-N	537.576	3.530	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)CC2)cc1	1868816227	GZZMZMJLDUJMHG-KYJUHHDHSA-N	560.670	3.581	10	10	KHCE	
COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3C[C@@H]3CCCO3)CC2)cc1	1870599320	UCYSGMCUAJHTLA-NDEPHWFRSA-N	519.642	3.816	10	10	KHCE	
CN(C[C@H]1CCCO1)C(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870994394	IOKOHNMBJKHHJJ-AREMUKBSSA-N	520.630	3.603	10	10	KHCE	
COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1	1871494008	MSOJBKCCFRPONC-QHCPKHFHSA-N	503.651	3.509	10	10	KHCE	
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)O	2313560747	FNPHMDWUOKUANK-UHFFFAOYSA-N	568.174	3.740	10	10	KHCE	
CCOc1cc(OCC)cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)c1	1859006822	FCWIMSBXYUBMGN-UHFFFAOYSA-N	527.599	3.516	10	10	KHCE	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(CC)CC)=C(N)O2	1864011354	SNIILYFLOKUFBJ-DEOSSOPVSA-N	519.646	3.779	10	10	KHCE	
CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866806434	VUYPXVLWYOQJFZ-VWLOTQADSA-N	575.643	3.508	10	10	KHCE	
Cc1ccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1	1867249879	AKWZWPLPDSJOLD-VWLOTQADSA-N	508.530	3.978	10	10	KHCE	
COc1ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC	1867308123	FNJGUNYRBRPCOR-DQEYMECFSA-N	542.746	3.965	10	10	KHCE	
CCCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868731007	XQMDHXZWFXIRKB-VWLOTQADSA-N	509.647	3.813	10	10	KHCE	
COc1ccc(OCCN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1873170906	WCDIXOWDVIHHCU-UHFFFAOYSA-N	528.653	3.945	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(NCCc3ccccc3)nc12	2296846219	MLCZHACZMUUMPG-UHFFFAOYSA-N	508.625	3.724	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4sc(NC(=O)c5ccc6c(c5)OCO6)nc43)CC2)cc1	8979557	LNICYKSINXSRAD-HXUWFJFHSA-N	520.611	3.901	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]23)c1O	248172841	XLIXOPQTSMHWLF-FZVPRWPTSA-N	520.969	3.879	10	10	KHCE	
Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C(=O)OC(C)C)cc1)=C(N)O2	1864009923	NJLNCRNGOKEAFZ-XMMPIXPASA-N	534.613	3.835	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2	1864011047	DDMDABNGMUETPU-XMMPIXPASA-N	500.530	3.801	10	10	KHCE	
CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1864014737	BBBDTCMNPZSIPH-SFHVURJKSA-N	502.493	3.828	10	10	KHCE	
CN(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1	1864016487	QDQCOTJJFBXSFO-XMMPIXPASA-N	543.599	3.521	10	10	KHCE	
CCCN1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)CC1	1865026209	KAINCDOZDHGPRW-XMMPIXPASA-N	538.048	3.553	10	10	KHCE	
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2	1865026685	RAHJWBMFJGYGLI-OPAMFIHVSA-N	545.423	3.636	10	10	KHCE	
C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1	1865034067	OEOVAJLVVLFJJX-FZKQIMNGSA-N	515.492	3.650	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3cccc(O)c3)CC2)cc1	1865048354	JPOSYSWETKQGCH-RUZDIDTESA-N	537.620	3.845	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865067246	QKCXYNXYOZCKRH-HSZRJFAPSA-N	505.594	3.564	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc[nH]1	1865606451	UYHJCXPGGBGPMA-XMMPIXPASA-N	524.625	3.950	10	10	KHCE	
Cc1nc2ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C	1867682114	TUUFJJODLKQTRP-KDYSTLNUSA-N	502.663	3.774	10	10	KHCE	
N=C1C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	2296939442	AGFNGQDUTBDJSS-UHFFFAOYSA-N	518.555	3.805	10	10	KHCE	
CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O	33812609	VCZFWJHXXTVUAS-JCMHNJIXSA-N	507.685	3.592	10	10	KHCE	
COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4N4C(=O)c5c(ccc(OC)c5OC)[C@@H]34)CC2)cc1	606678598	FSKHMLMDDMTEHC-LJAQVGFWSA-N	556.619	3.566	10	10	KHCE	
Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2	1864007171	HGJLIOJJRFFQKX-QVKFZJNVSA-N	531.396	3.889	10	10	KHCE	
CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864009767	DFWXQQUAAZVIGW-XMMPIXPASA-N	519.646	3.697	10	10	KHCE	
Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2	1864012060	QATSMKQCLPYSCJ-DEOSSOPVSA-N	518.520	3.940	10	10	KHCE	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2	1865027013	DAKKWPVBCNAMRP-VWLOTQADSA-N	547.011	3.961	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865032596	GRADRFJSEARYHW-HSZRJFAPSA-N	538.048	3.747	10	10	KHCE	
CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1	1865033115	SDHPASQXBKQTAY-VWLOTQADSA-N	548.640	3.791	10	10	KHCE	
CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866610334	REQUQLLUFYDCLL-MGBGTMOVSA-N	580.641	3.547	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)Cc3csc(COc4ccccc4)n3)CC2)cc1	1868597206	XTMLAALMDISFSE-VWLOTQADSA-N	554.738	3.860	10	10	KHCE	
Cc1ccc(OCCn2cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c(C)c1	2297346029	XRUSZDBNJHEHBM-UHFFFAOYSA-N	521.624	3.958	10	10	KHCE	
COc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCSCC3)SC2=S)cc1	33392974	AIFZZIKMMAOQTR-UDWIEESQSA-N	512.682	3.529	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	105480615	VFPPUBGVBMCURD-JCMHNJIXSA-N	563.705	3.991	10	10	KHCE	
COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)c1O	248381452	TVRQPGPFNHWXBE-VIYORZMQSA-N	553.571	3.601	10	10	KHCE	
CCCCn1c(=C2C(=O)N(c3ccccc3)N=C2CC(=O)OCC)sc(=C2Sc3ccc(OC)cc3N2C)c1=O	254349997	HZHLMJCKIBAIRZ-UHFFFAOYSA-N	578.716	3.533	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)COc3ccc(Cl)c(C)c3)CC2)cc1	1862191286	LOUOVVKVUHZORE-HSZRJFAPSA-N	506.068	3.623	10	10	KHCE	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2	1864009015	XLMUYIBNXYYVCL-QFIPXVFZSA-N	512.994	3.871	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1	1864017164	HBUSQACAQZYFFN-DEOSSOPVSA-N	536.629	3.872	10	10	KHCE	
COc1cc2[nH]c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c(OC)c1OC	1866545600	MQTKLTGCERZRQV-JOCHJYFZSA-N	508.619	3.577	10	10	KHCE	
CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1	1867831268	UCXHKHOSPYZIMF-VMPREFPWSA-N	604.664	3.959	10	10	KHCE	
CCOC(=O)N1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)CC1	1867971831	OHQQQJMKVZWDDP-UHFFFAOYSA-N	502.619	3.757	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	2296928436	MVKDUEMPLDPMGF-IBGZPJMESA-N	565.696	3.849	10	10	KHCE	
Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	2314399924	FCWBGWLFEKRUFR-IRXDYDNUSA-N	550.662	3.747	10	10	KHCE	
COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	2314769382	PHCZVVHAILPOIM-QFIPXVFZSA-N	621.531	3.811	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	100851280	XQLMUFZQNOJEQW-SCBQMXHTSA-N	536.679	3.761	10	10	KHCE	
COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccccc1C	104557908	HITFKEOMOVJKRB-DSKFECOOSA-N	549.030	3.736	10	10	KHCE	
O=C1/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	110073341	KKXSBJHUKZZSJR-BAVLMPOVSA-N	580.757	3.542	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1ccc(OCC)c(OCC)c1)[C@H]2c1ccc(O)c(O)c1	1864010109	PNMQBQWOGMPUFK-VWLOTQADSA-N	536.629	3.864	10	10	KHCE	
CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCN(C)C)=C(N)O2	1864012725	HWHQBAHPJDMEKO-QHCPKHFHSA-N	540.064	3.711	10	10	KHCE	
NC1=C(C(=O)NCCCO)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3Cl)c2O1	1864014147	OCLQPIVLCHPKRF-QFIPXVFZSA-N	532.984	3.797	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3ccccn3)CC2)cc1	1865376100	AKUOZBAILOIYEW-HHHXNRCGSA-N	536.636	3.687	10	10	KHCE	
O=C(COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCCCO	1871264759	QEYJSDSIUWOOIB-UHFFFAOYSA-N	522.646	3.634	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873168785	JNSCYXJQLMAJPU-UHFFFAOYSA-N	538.652	3.562	10	10	KHCE	
CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873569390	HGKHFHIHHAFXTF-UHFFFAOYSA-N	514.630	3.768	10	10	KHCE	
COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O	2297461006	FEUKKKXECGACQS-UHFFFAOYSA-N	524.668	3.904	10	10	KHCE	
CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O	33812675	CTVYTMUSVWCSLO-JCMHNJIXSA-N	525.700	3.965	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4cccc(C)c4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	59447097	POELXYFXXRTRFA-WALVNQSHSA-N	512.635	3.721	10	10	KHCE	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1	59858732	VUVSKEQUVYXDAN-WQRHYEAKSA-N	506.431	3.821	10	10	KHCE	
CN1C(=O)C(=c2sc(=C/C=C3\SC(c4ccccc4)=C(c4ccccc4)N3C)c(=O)n2C)SC1=S	252626643	RCMZGUDSBCKYSK-DTBXYZMHSA-N	535.741	3.872	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5ccccc5F)[nH]c4c3)CC2)cc1	1862093058	KVKIMKRSWCLTDP-SFHVURJKSA-N	501.562	3.845	10	10	KHCE	
COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	1864012393	ZCGPXHXZJXQKPI-VWLOTQADSA-N	530.556	3.810	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1	1864015693	CYPVTMTWRFOWLS-QHCPKHFHSA-N	519.646	3.914	10	10	KHCE	
CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(CCC)CC1)=C(N)O2	1865030750	QCGSZWJHLSSTMM-RUZDIDTESA-N	549.647	3.683	10	10	KHCE	
CC[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867228922	IXFZONBIAGNGSF-QHCPKHFHSA-N	565.623	3.534	10	10	KHCE	
C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867875255	WSIHFPGXLZYKCC-GAJHUEQPSA-N	502.015	3.776	10	10	KHCE	
CCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868756095	UTUSEVYEEPJGBU-VWLOTQADSA-N	503.647	3.960	10	10	KHCE	
CCc1ccc(N2C(=O)C(=Cc3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)cc1	2294204924	UIVZZPRKSAROBZ-UHFFFAOYSA-N	662.243	3.753	10	10	KHCE	
COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	2314764994	QYJBLBHNKDDYNG-UHFFFAOYSA-N	626.938	3.895	10	10	KHCE	
COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1OC	33355452	YWISJFZSNHUWMO-LUJYGJGBSA-N	552.678	3.747	10	10	KHCE	
COc1cc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)ccc1OC(=O)c1ccccc1Br	96577268	WZIDRKTUDGYQAH-XSFVSMFZSA-N	516.417	3.895	10	10	KHCE	
COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NCCNC(=O)CCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)C1=O	150537295	ZYFPZFAKRURCHV-GJHDBBOXSA-N	670.860	3.819	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCn1ccnc1)=C(N)O2	1864017602	PWEDUVFSJXTLBZ-JOCHJYFZSA-N	535.004	3.597	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1	1864018828	RMTWTZOQJLAUMQ-JOCHJYFZSA-N	545.011	3.935	10	10	KHCE	
CCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1	1864020422	YQRCWDDOXLWMEL-DEOSSOPVSA-N	520.630	3.759	10	10	KHCE	
CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCN(Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1	1864022908	ZWIHXSZUTVAPBY-RUZDIDTESA-N	531.657	3.742	10	10	KHCE	
CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3cccc(C)c3C)CC1)[C@@H]2c1ccc(O)c(O)c1	1865029274	JPFAFUFJYGIIFZ-RUZDIDTESA-N	517.630	3.673	10	10	KHCE	
CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCN(C)CC1)=C(N)O2	1865031026	XIJXQEBQEBKJLA-RUZDIDTESA-N	549.647	3.681	10	10	KHCE	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(I)cc(I)c1O	2313558584	FDPQNSVEAVHDHT-UHFFFAOYSA-N	594.143	3.572	10	10	KHCE	
Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCOCC3)nc12	2314413824	IQZZOWKRNDUMDQ-UHFFFAOYSA-N	513.044	3.894	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1	101398270	MZYJPKPVMZLGRA-SVBOREBNSA-N	549.030	3.818	10	10	KHCE	
CCC[C@H](NC(=O)c1ccccc1I)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1861912365	JVOWHXJVRJWFPO-NRFANRHFSA-N	521.399	3.547	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCc3ccc(Br)cc3)CC2)cc1	1861952410	UNLGHAVSXZNCFF-QFIPXVFZSA-N	518.477	3.641	10	10	KHCE	
COCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1	1864016834	YKKPMURIVSRREO-DEOSSOPVSA-N	544.583	3.996	10	10	KHCE	
CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2	1864018277	HLYXNHSBVNUZQO-VWLOTQADSA-N	549.647	3.731	10	10	KHCE	
Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)O[C@H](C)C1)=C(N)O2	1865025988	HGUKIDFVZFWLKQ-AQKDONEWSA-N	525.005	3.635	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C(F)(F)F)nn4C)[C@@H]3c3cccc(C)c3)CC2)cc1	1865567118	VUBLZRMJGMATAS-FQEVSTJZSA-N	527.547	3.799	10	10	KHCE	
CCN(CC)CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1	1871602474	RBKQVYVCYFXCMC-UHFFFAOYSA-N	518.710	3.555	10	10	KHCE	
COCCCn1c(C(=O)NCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873586893	QUYPLDUDINADLV-UHFFFAOYSA-N	514.630	3.733	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1	101398894	BZJSTVABINZXFZ-DWCAQMBTSA-N	528.612	3.554	10	10	KHCE	
COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1	1864008786	SBVWKHXOZOQJFM-RUZDIDTESA-N	512.566	3.920	10	10	KHCE	
CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2	1864009611	CBBBZSANUCJXBO-QHCPKHFHSA-N	516.554	3.849	10	10	KHCE	
NC1=C(C(=O)NCCCCCO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1864014337	SIMHMFYEPKXVSS-XMMPIXPASA-N	526.593	3.924	10	10	KHCE	
COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4C)[C@@H]3c3ccc(OC(C)C)c(OC)c3)CC2)cc1	1865291825	LIISPEISELUJBI-SANMLTNESA-N	547.656	3.576	10	10	KHCE	
CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867479336	OYYJXCLQCTUGEH-NHKHRBQYSA-N	619.763	3.700	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1	1868811051	RZOSEJSAOOSXEE-MUUNZHRXSA-N	540.620	3.675	10	10	KHCE	
COc1ccc(N2CCN(C(=O)c3cc4c(N5C[C@H](C)O[C@H](C)C5)ncnc4n3CC(C)C)CC2)cc1	1873550140	NSGCFKLHSSPFFP-OYRHEFFESA-N	506.651	3.672	10	10	KHCE	
CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1	2297346351	XWZQNYVNXKVKKM-UHFFFAOYSA-N	512.613	3.773	10	10	KHCE	
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC	2313549219	QEQZABZVBWZBMQ-UHFFFAOYSA-N	506.296	3.592	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	6144816	PODBFRLDDZGJIJ-ADKREUBMSA-N	533.591	3.915	10	10	KHCE	
CCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O	33467700	SUMFBRJBJDTKQW-GNFOSXPUSA-N	507.685	3.763	10	10	KHCE	
CCOC(=O)[C@H](C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	104069149	GRUPZHWJMCKBLF-QFIPXVFZSA-N	537.528	3.582	10	10	KHCE	
Cc1c(N2C(=O)/C(=C/c3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C	109953901	IBRSEAJYHGNIFC-ZHZULCJRSA-N	546.678	3.966	10	10	KHCE	
CC(=O)OC[C@@H]1O[C@@H](Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253623277	CDVBCDJCQLWGKB-DGKNVCCWSA-N	602.976	3.575	10	10	KHCE	
Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1	1864008595	NNFZPZXUDOXFCX-XMMPIXPASA-N	506.603	3.585	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1	1864011517	IWKCUYDEJKHYJM-XMMPIXPASA-N	540.064	3.847	10	10	KHCE	
CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1	1864014512	WWLBAHUYNOQGHV-JOCHJYFZSA-N	500.640	3.920	10	10	KHCE	
CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)O[C@H](C)C1)=C(N)O2	1865029732	UIBSAVCSEOQVPN-GGUMNFRJSA-N	518.614	3.626	10	10	KHCE	
Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCC(O)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1	1865032098	VOQCBCFOAYHTEN-RUZDIDTESA-N	538.604	3.937	10	10	KHCE	
CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)C1	1865033178	UELLRBSAEBBJBZ-NTKDMRAZSA-N	546.624	3.651	10	10	KHCE	
CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1	1865033595	DIKHEAMUJWNBFF-MFEFFIJZSA-N	534.613	3.710	10	10	KHCE	
CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866870751	QCKRPKYUDFYCNZ-MHECFPHRSA-N	509.562	3.739	10	10	KHCE	
CC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867251816	SWNSWUOFDHDDHT-RTWAWAEBSA-N	587.434	3.793	10	10	KHCE	
CCC[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868928082	XRUKZIHGAUSDJN-AREMUKBSSA-N	553.704	3.851	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(C3CCN(C)CC3)C2=O)cc1	1873169589	QMOWFKKTKGRFMY-UHFFFAOYSA-N	522.653	3.977	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873426009	RGMLQKYQZBSKQU-UHFFFAOYSA-N	524.625	3.885	10	10	KHCE	
Cc1ccc2nc(N3CCN(C)CC3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1	2296542773	NEUUVLPONBCYEE-SFHVURJKSA-N	505.669	3.717	10	10	KHCE	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	101267017	YPOAGUSEMNBDIL-HBEGMLAUSA-N	548.708	3.794	10	10	KHCE	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OC(=O)c1cccc(C)c1	101395619	KFTCNNZZOUZGRI-NWSLSDTJSA-N	526.596	3.624	10	10	KHCE	
CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC1CCCCC1)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	248214131	FNDPVKSPSLVMDF-VKDGWMQASA-N	507.425	3.994	10	10	KHCE	
CCN1/C(=C\C=c2sc(=C3SC(=S)N(Cc4ccccc4)C3=O)n(C)c2=O)Sc2ccccc21	254555747	IBOMMPMFDZVNDL-QFCCZRTESA-N	523.730	3.870	10	10	KHCE	
CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2	1864009955	GKZNRDYNZMJVFK-LJQANCHMSA-N	502.493	3.814	10	10	KHCE	
CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1	1865034380	VLHVYKKIPGCHBW-HSZRJFAPSA-N	536.629	3.696	10	10	KHCE	
O=C(Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1867087972	MHIBSJKDGKJHNM-GDLZYMKVSA-N	585.616	3.965	10	10	KHCE	
CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868741192	GLWBMFGDOBYNIJ-DEOSSOPVSA-N	566.120	3.545	10	10	KHCE	
COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1OC	2296706840	YWISJFZSNHUWMO-SFHVURJKSA-N	552.678	3.747	10	10	KHCE	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)CC2)cc1	2296730252	MKVSNMZLLLNHIG-JOCHJYFZSA-N	577.732	3.718	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1	2297346113	DWWUXINICSCCOD-UHFFFAOYSA-N	539.016	3.641	10	10	KHCE	
COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1	2297347345	RDQRNRZNJHKFPM-UHFFFAOYSA-N	523.571	3.759	10	10	KHCE	
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)cc2)nc(OC)n1	2297452989	AYEZXTMIKHBBGX-UHFFFAOYSA-N	620.429	3.618	10	10	KHCE	
C[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1)C(=O)O	2314928785	BJZCMBJPCOLKPM-LLVKDONJSA-N	507.387	3.847	10	10	KHCE	
Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c(C)c1	96459900	NILQVKIHLYABCI-JNCKMBBWSA-N	512.613	3.773	10	10	KHCE	
CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O	110527205	SMJDUGWXPUXSJH-KQWNVCNZSA-N	555.701	3.752	10	10	KHCE	
C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S	150405920	SBLOLKOASMGMQT-KLLFSAEGSA-N	621.354	3.793	10	10	KHCE	
CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1	1864011697	KBQYAUZVUDZYOI-VWLOTQADSA-N	537.636	3.723	10	10	KHCE	
CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2	1864013685	YXXUTSZUFZHTMX-XMMPIXPASA-N	511.582	3.685	10	10	KHCE	
CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1	1865034324	TYHAWMCVXBTYOI-DEOSSOPVSA-N	541.608	3.688	10	10	KHCE	
CN(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1	1867278437	ILZLOZHVEONASQ-IXCJQBJRSA-N	532.600	3.826	10	10	KHCE	
CCCC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867603392	PEVYLRKDBSLDLU-KAYWLYCHSA-N	557.761	3.756	10	10	KHCE	
CC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868595641	KGMJLRUAMHKYJN-DEOSSOPVSA-N	508.644	3.517	10	10	KHCE	
CCCn1c(C(=O)NCCCCN2CCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21	1873575161	SMLAGHYSMQBSHE-UHFFFAOYSA-N	519.694	3.782	10	10	KHCE	
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCc3c[nH]c4ccccc34)cc1C2=O	1873942287	WWUGIGGLLFCDSV-UHFFFAOYSA-N	510.502	3.766	10	10	KHCE	
COc1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)cc1	2297345547	GLYKTQFFMBLNLH-UHFFFAOYSA-N	542.639	3.800	10	10	KHCE	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(NC(=O)CCN3CCOCC3)C2=O)cc1	101034097	MWTOBKSWFATVLW-QJOMJCCJSA-N	549.678	3.503	10	10	KHCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)c(OC)c1	1084648589	DEWPQYUTZNYTBC-BOPFTXTBSA-N	509.496	3.712	10	10	KHCE	
CCc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1862278147	QLSRSVDHHMQDOM-MHZLTWQESA-N	501.627	3.713	10	10	KHCE	
CCN(CCO)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1	1865031453	HIBALCUJYGAIKW-XMMPIXPASA-N	544.583	3.684	10	10	KHCE	
CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCCCC2)cc1	1867831267	UCXHKHOSPYZIMF-URLMMPGGSA-N	604.664	3.959	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(Cc3cccs3)C2=O)cc1	1873164499	FEFKXVCTKXZLEF-UHFFFAOYSA-N	546.674	3.873	10	10	KHCE	
CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCn3ccnc3)ncnc21	1875214924	NTOUFFZJOCSGRP-UHFFFAOYSA-N	516.650	3.901	10	10	KHCE	
CCOc1ccc(N2C(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	2294204910	SDZMQYJEBCOAMM-UHFFFAOYSA-N	584.242	3.905	10	10	KHCE	
CCCCCCN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S	34988012	NTDYUGUYVRIMQU-HTXNQAPBSA-N	514.673	3.819	10	10	KHCE	
O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4cccc([N+](=O)[O-])c4)S3)CC2)S/C1=C/c1cccc([N+](=O)[O-])c1	100481606	QLBQABXBCHLAEF-IWGRKNQJSA-N	550.578	3.761	10	10	KHCE	
NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1	101967672	MIQINJQLKOSXTN-ATVHPVEESA-N	540.486	3.717	10	10	KHCE	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	102987317	XFZYNHWQUNCUMH-CJLVFECKSA-N	535.695	3.555	10	10	KHCE	
CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1C	104558603	BZQWLDQEXJHQCJ-DBQMFKLFSA-N	542.639	3.781	10	10	KHCE	
CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1	105451013	JTQKSXCGHMQGAG-XLNRJJMWSA-N	563.705	3.725	10	10	KHCE	
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]4CC[C@H](O[C@H]5CC[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)O2)C[C@]1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O	255987878	MLUQAMZHTPPIHO-SOBIJWGVSA-N	825.905	3.548	10	10	KHCE	
CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526312205	QOACQCWQAQKRTC-DEOSSOPVSA-N	510.568	3.837	10	10	KHCE	
COC(=O)[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)c1ccccc1	1613880089	ZWILKLDQXGLHIT-IAPPQJPRSA-N	508.578	3.819	10	10	KHCE	
Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2	1865029014	DDYYVHHQUQATPD-DWXRJYCRSA-N	526.593	3.671	10	10	KHCE	
CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1	1869135093	OHGKZJIEUKAOFT-GDLZYMKVSA-N	525.657	3.543	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1873163991	HALIWQVMCUYDES-UHFFFAOYSA-N	540.645	3.811	10	10	KHCE	
O=C1C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	2296703977	DQHPJVMPUPOYTP-UHFFFAOYSA-N	587.683	3.740	10	10	KHCE	
Cc1cccc(C)c1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21	2296714191	FVZYABNJRFWIDC-UHFFFAOYSA-N	509.609	3.725	10	10	KHCE	
COc1cc(C=C2C(=O)N(c3cccc(Br)c3)N=C2C)c(Br)cc1OCC(N)=O	2296909397	KKVAMGKRYQIVPV-UHFFFAOYSA-N	523.181	3.890	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cn(CCCOc4ccccc4)c4ccccc34)C(=N)N21	2297345449	XJJQYQDDLGHIIN-UHFFFAOYSA-N	507.597	3.732	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CSC(C)C)CC2)cc1	1861880131	XZZJEASRWHTZBP-DEOSSOPVSA-N	501.718	3.904	10	10	KHCE	
COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCc2cccs2)=C(N)O3)cc1	1864023187	VIEADXQMTWELAN-OAQYLSRUSA-N	518.595	3.622	10	10	KHCE	
COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@@H](C)O[C@H](C)C2)=C(N)O3)cc1	1865032336	AMVRGNVJDPGJPK-GGUMNFRJSA-N	548.640	3.956	10	10	KHCE	
Cc1nc2ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C	1867682113	TUUFJJODLKQTRP-JIPXPUAJSA-N	502.663	3.774	10	10	KHCE	
O=C(C[C@H](c1cccc(Br)c1)c1nn[nH]n1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868180656	MREJNDDWBXMXCZ-GOSISDBHSA-N	502.328	3.898	10	10	KHCE	
CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	1872719446	HWUBAPZHZFVYSE-UHFFFAOYSA-N	509.628	3.786	10	10	KHCE	
COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O	2293069226	WUNKOYZOGUELKQ-UHFFFAOYSA-N	501.655	3.964	10	10	KHCE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778138	XAQSKJWHVAQNPE-ONUIUJJFSA-N	549.649	3.809	10	10	KHCE	
CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1	103204254	BEKFQENYGRWVQQ-UHFFFAOYSA-N	576.767	3.729	10	10	KHCE	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC	103857995	KRDKLPJVKIMTIY-QPEQYQDCSA-N	557.138	3.737	10	10	KHCE	
Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N	105468747	NFPFCZXOSFVKNJ-BUVRLJJBSA-N	545.690	3.882	10	10	KHCE	
CCCOc1ccccc1/C=C/C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc(N)cc2)cc1	1859006573	WWEWQGWIZNAHFU-CXUHLZMHSA-N	523.611	3.907	10	10	KHCE	
CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCCCOC(C)C)c2C(=O)OC)cc1	1860763885	PVHPEHPKPNTFFK-UHFFFAOYSA-N	547.674	3.627	10	10	KHCE	
CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(C)C)=C(N)O2	1864013437	WWHBHZWZPCVXSE-VWLOTQADSA-N	533.673	3.756	10	10	KHCE	
CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCN(CC)CC)=C(N)O2	1864017391	LDKXMNHIPYZYPS-QFIPXVFZSA-N	526.037	3.652	10	10	KHCE	
CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C(N)O2	1865030279	HGTPOPGXBZEEGO-XMMPIXPASA-N	535.620	3.839	10	10	KHCE	
CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc[nH]1	1865608803	HBKWTGWGGLYGHH-LJQANCHMSA-N	530.551	3.692	10	10	KHCE	
CC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866626140	CQMUXGIHNWJICV-HSZRJFAPSA-N	545.617	3.539	10	10	KHCE	
CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1	1867522376	XVQULSBEJKYJSM-YDYNHKSESA-N	591.753	3.627	10	10	KHCE	
COC(=O)C1CCC(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1	1873168683	FTNHFUMYHFJKLP-UHFFFAOYSA-N	529.641	3.709	10	10	KHCE	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCC4CCC(C(=O)O)CC4)c4ccccc34)[C@@H]21	2297718179	YBZFOOYQTCSDBT-AVEQNKPZSA-N	500.599	3.795	10	10	KHCE	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C(=N)N21	104560546	FRRPTDMOGVKGNP-GSROUWSESA-N	537.623	3.740	10	10	KHCE	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	205948847	JAJNBKCCDQHFMX-FYJGNVAPSA-N	522.539	3.521	10	10	KHCE	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	725385902	OKOXLJIVPCAACV-HHHXNRCGSA-N	565.692	3.670	10	10	KHCE	
CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1	1864016259	KSRVHZYTYJJGTE-TZJJLPFFSA-N	542.636	3.876	10	10	KHCE	
NC1=C(C(=O)N2CCC[C@@H]2CO)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1	1865031791	OCPBCELPMWTFRI-ZJSXRUAMSA-N	524.577	3.628	10	10	KHCE	
Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1	1873162441	VLJWJZJEYGUCNE-UHFFFAOYSA-N	512.654	3.729	10	10	KHCE	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	2296542820	XFUVDCNDHOQQBB-KRWDZBQOSA-N	536.635	3.724	10	10	KHCE	
COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1cccs1	35963744	BKQAMXHMMLCVGE-QFIPXVFZSA-N	510.616	3.570	10	10	KHCE	
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	104927449	KGJCZYHETAMHFU-HAHDFKILSA-N	529.553	3.501	10	10	KHCE	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2	1864007463	NHONUEPBKIAGOF-XMMPIXPASA-N	500.530	3.785	10	10	KHCE	
CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	1864011698	KDECYLCGQPFXPE-DEOSSOPVSA-N	540.064	3.847	10	10	KHCE	
Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1	1864015034	IKVRSPLVPHZJSU-GOSISDBHSA-N	502.493	3.684	10	10	KHCE	
CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2	1864018656	PZEBGADOHJISLT-HSZRJFAPSA-N	532.000	3.964	10	10	KHCE	
CCc1nn(CC)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2	1865083348	SRWGVJHLORCTGC-RUZDIDTESA-N	530.673	3.583	10	10	KHCE	
CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866807619	WITPABPWDCFGBF-OAQYLSRUSA-N	569.035	3.821	10	10	KHCE	
CC[C@](C)(NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	1868594602	ZUIODIHFALXISZ-NDEPHWFRSA-N	522.671	3.907	10	10	KHCE	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CCCc3ccc(OC)c(OC)c3)CC2)cc1	1868716598	KMUKGZRVUPPNIZ-MUUNZHRXSA-N	561.679	3.817	10	10	KHCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	2295982185	ZDXIPJNUTAGFOA-IBGZPJMESA-N	535.695	3.791	10	10	KHCE	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	2296212944	TVNNQPIHKDVTGK-OAQYLSRUSA-N	547.706	3.710	10	10	KHCE	
CCOCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	2296330975	OYPDHXRTJQYLNM-UHFFFAOYSA-N	535.695	3.649	10	10	KHCE	
CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=N)N21	2297345390	RYDNHTCKVFCQFI-UHFFFAOYSA-N	537.392	3.788	10	10	KHCE	
CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1	2297345836	HGTJZGWDUKNXJC-UHFFFAOYSA-N	542.639	3.863	10	10	KHCE