CMPD_CHEMBLID	CANONICAL_SMILES	ACTIVITY_ID	Inhibition
CHEMBL1909396	Cl.COc1ccc(cc1)c2oc3ncnc(N)c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4	8223212	43.28
CHEMBL188240	CCOc1nccc2c1nc(c3nonc3N)n2CC	8210030	18.74
CHEMBL495771	C1CN(CCO1)c2ccc3c(cnn3n2)c4ccnc(NC5CC5)n4	8209670	-6.96
CHEMBL1909415	Cl.Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)c5ccc[nH]5)cc2Cl)c1	8188969	13.62
CHEMBL483748	NS(=O)(=O)c1ccc(cc1)c2cc3ccncc3cc2OCc4ccccc4	8205812	10.02
CHEMBL202891	COc1ccc(cc1)c2cc(ccn2)c3c[nH]nc3c4ccccn4	8212658	7.4
CHEMBL512076	CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2	8183464	-0.58
CHEMBL1785003	NC(=O)CCc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5	8118258	-4.73
CHEMBL1909391	Cl.[O-][S+]1CCN(Cc2oc(cc2)c3ccc4ncnc(Nc5ccc(OCc6ccccc6)c(F)c5)c4c3)CC1	8081311	0.63
CHEMBL1909364	Cl.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1	8108612	4.07
CHEMBL1909368	Cl.Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5occc5)nc4c3)cc2)C(F)(F)F	8154555	0.27
CHEMBL268885	COc1c(cc(cc1c2ccc(cc2)S(=O)(=O)N)c3ccc(Cl)cc3)C(=O)N	8122807	3.15
CHEMBL1909400	Cc1cccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)c1C.OC(=O)C(F)(F)F	8113801	4.81
CHEMBL1909377	Cl.C1Cc2nc(c3ccccn3)c(c4ccc5OCOc5c4)n2C1	8160112	4.78
CHEMBL1909360	Cl.CN(c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N3CCN(C)CC3)cc1)c4ccnc(Nc5ccc(CS(=O)(=O)C)cc5)n4	8138207	20.58
CHEMBL212250	Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(COCCS(=O)(=O)c6ccccc6)cc5)cc2Cl)c1	8113453	2.21
CHEMBL518953	NC(=O)c1sc(cc1OCc2ccccc2Br)n3cnc4ccccc34	8126305	3.98
CHEMBL405021	O=C(Nc1n[nH]c2cc(ccc12)c3ccccc3)C4CC4	8190350	7.69
CHEMBL1888586	Nc1nccc(n1)c2c(ncn2C3CCC(O)CC3)c4ccc(F)cc4	8164955	-2.41
CHEMBL261849	COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1	8158112	-0.05
CHEMBL1909408	Cl.O=C(O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc6ccccc6)c4)c3s2)N7CCOCC7	8125030	3.26
CHEMBL477978	Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CCCCC4	8119061	9.1
CHEMBL1785004	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccc(F)c(F)c5)n4	8122463	7.49
CHEMBL479079	COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC	8166924	66.54
CHEMBL157258	Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c3ccccc3Cl)cc1Cl	8169939	10.58
CHEMBL495902	Cc1ccc(cc1c2ccc3[nH]ncc3c2)C(=O)NC4CC4	8155619	-8.73
CHEMBL160937	Oc1cccc(NC2=C(C(=O)NC2=O)c3ccccc3Cl)c1	8166107	0.51
CHEMBL466412	CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2	8066095	0.05
CHEMBL458438	COc1cc(ccc1Nc2nc(Nc3cccc4ncccc34)c5cc[nH]c5n2)N6CCN(CC6)C(C)C	8076707	-0.17
CHEMBL379093	Fc1cccc(COc2ccc(Nc3ncncc3C#Cc4ccccc4)cc2Cl)c1	8203969	14.73
CHEMBL2062289	CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)c4cccc(F)c4F)CC1.OC(C(O)C(=O)O)C(=O)O	8137862	4.71
CHEMBL374060	Cc1cc(O)cc(C)c1\C=C\c2cncc(c2)C(=O)OC(C)(C)C	8208494	7.09
CHEMBL188247	Cc1ccc2c(c3ccnc(Nc4ccc5OCCOc5c4)n3)c(nn2n1)c6ccc(cc6)C(F)(F)F	8124641	1.09
CHEMBL359999	COc1cc(Nc2nccc(n2)c3cnn4ncccc34)cc(OC)c1	8069389	22.94
CHEMBL218088	Cc1cc(O)cc(C)c1\C=C\c2cncc(c2)C(=O)N	8191557	2.56
CHEMBL237570	COc1ccc2cc(ccc2c1)c3c(nc(c4ccc(cc4C)[S+](C)[O-])n3C)c5ccncc5	8206168	4.21
CHEMBL191705	CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(c3)C(=O)C)c1	8156745	6.56
CHEMBL273564	Nc1ncnc2occ(c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12	8136334	11.78
CHEMBL1794066	CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)c4nonc4N.OC(=O)C(F)(F)F	8120902	3.51
CHEMBL513330	Clc1ccc(CNc2nccc(n2)c3cnn4ncccc34)cc1	8137490	-0.62
CHEMBL493326	COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2c1	8097354	2.15
CHEMBL481510	NC(=O)c1sc(cc1OCc2ccccc2Br)n3cnc4ccc(cc34)C(F)(F)F	8220671	10.56
CHEMBL446024	FC(F)(F)CNc1nccc(n1)c2cnn3ncccc23	8134405	2.18
CHEMBL156987	OC(=O)c1cc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)ccc1Cl	8077408	13.69
CHEMBL1909369	Cl.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1	8074898	9.06
CHEMBL181361	Nc1nc(c2ccccn2)c(s1)c3ccc4ncccc4n3	8213846	4.22
CHEMBL397570	Fc1ccc(cc1)C(=O)Nc2sc3CCCCc3c2C#N	8070124	6.11
CHEMBL1909406	Cl.Fc1ccc(cc1)c2nc3SCCn3c2c4ccncc4	8202631	4.76
CHEMBL1909402	Nc1nccc(n1)c2c(nn3cc(ccc23)C(F)(F)F)c4ccc(F)cc4	8090069	1.9
CHEMBL495696	N#Cc1cccc(Nc2nccc(n2)c3cnn4ncccc34)c1	8169135	14.89
CHEMBL218969	CNC(=O)c1cncc(\C=C\c2ccccc2C)c1	8197123	12.65
CHEMBL1909354	Cl.Cc1cc(cc(C)c1\C=C\c2cncc(c2)c3nn[nH]n3)c4ccccn4	8139529	3.3
CHEMBL271595	NS(=O)(=O)c1ccc(N\C=C\2/C(=O)Nc3ccc4ncsc4c23)cc1	8131113	26.78
CHEMBL1794070	C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OC4CCN(C)CC4)cc23)c5ccccc5Cl	8109988	-0.07
CHEMBL506153	CCn1c(nc2cncc(C(=O)NCCNC)c12)c3nonc3N	8088504	2.04
CHEMBL476351	Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1c4ccc(cc4)C(=O)NCC5CC5	8089665	-1.5
CHEMBL230911	NC(=O)c1cc(cc(c1N)c2ccccc2)c3ccncc3	8194933	4.31
CHEMBL330422	CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(NCCO)n4	8199409	7.32
CHEMBL1909374	Cl.Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5ccccc5)nc4c3)cc2)C(F)(F)F	8157727	7.18
CHEMBL266707	Fc1ccc(cc1)c2c(nc3SCCn23)c4ccncc4	8163934	10.23
CHEMBL1909343	OC(=O)C(F)(F)F.O=C(Nc1n[nH]c2nnc(cc12)c3cccnc3)C4CC4	8129917	2.85
CHEMBL409892	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc4ncccc4c23)cc1	8085969	17.26
CHEMBL365072	CCc1nccc2c1nc(c3nonc3N)n2CC	8067923	-2.63
CHEMBL1909384	Cl.CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)c4nonc4N	8167012	22.39
CHEMBL1895450	CNC(=O)c1ncccc1Nc2nc(Nc3cc4N(CCCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25	8169581	-0.74
CHEMBL517123	CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2	8182840	4.66
CHEMBL267228	OCc1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4	8200158	3.24
CHEMBL1956068	COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c6C(=O)NC(=O)c6c3c2c1	8181997	5.89
CHEMBL271594	CC(C)c1ccc2\C(=N/Nc3ccc(cc3)S(=O)(=O)N)\C(=O)Nc2c1	8125361	0.94
CHEMBL1909398	Cc1cccc2\C(=N\Nc3ccc(cc3)S(=O)(=O)N)\C(=O)Nc12	8174765	0.61
CHEMBL524901	C(CNc1nccc(n1)c2cnn3ncccc23)CN4CCOCC4	8208196	4.8
CHEMBL1909385	Cl.CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2	8095523	5.72
CHEMBL1909380	Cl.COc1cc2ncnc(Nc3ccc4c(cnn4Cc5ccccc5)c3)c2cc1OC	8100235	2.43
CHEMBL185238	Cc1cccc(n1)c2n[nH]cc2c3ccc4ncccc4n3	8072792	3.85
CHEMBL384407	CS(=O)(=O)CCN(CC#N)Cc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	8153751	1.2
CHEMBL517907	CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1	8194211	13.37
CHEMBL1909352	Cl.Cc1cc(O)cc(C)c1\C=C\c2cncc(c2)c3nn[nH]n3	8181634	4.82
CHEMBL1909393	Cl.[O-][S+]1CCN(Cc2oc(cc2)c3ccc4ncnc(Nc5ccc(OCc6ccccc6)c(Cl)c5)c4c3)CC1	8100939	2.62
CHEMBL275168	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccc(Cl)cc5)n4	8109593	0.39
CHEMBL1909403	OCCCNc1nccc(n1)c2c(nn3cc(ccc23)C(F)(F)F)c4ccc(F)cc4.OC(=O)\C=C\C(=O)O	8097574	-4.2
CHEMBL1909382	Cl.NC(=O)c1cccc(Nc2nccc(Nc3cccc(F)c3)n2)c1	8108055	31.98
CHEMBL347580	COc1ccc(cc1)C2=C(N3CCc4ccccc34)C(=O)NC2=O	8191099	7.64
CHEMBL1794065	CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)c4nonc4N.OC(=O)C(F)(F)F	8175132	12.53
CHEMBL1789963	Oc1c(Cl)cc(C=C2C(=O)Nc3ccc(cc23)C(=O)c4occc4)cc1Cl	8199796	7.05
CHEMBL407113	NS(=O)(=O)c1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2	8177427	-4.88
CHEMBL428877	CCc1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1	8129554	4.5
CHEMBL189353	CN(c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c3ccnc(Nc4cccc(CS(=O)(=O)C)c4)n3	8150373	19.67
CHEMBL185962	Nc1nonc1c2nc3cnccc3n2C4CC4	8225501	3.24
CHEMBL467581	COc1cc(C)c(cc1Nc2nc(Nc3cccc(F)c3C(=O)N)c4cc[nH]c4n2)N(C)C(=O)CN(C)C	8140959	-5.28
CHEMBL205798	CC(=O)Nc1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3	8110399	3.66
CHEMBL103080	CS(=O)(=O)Nc1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2	8085192	0.48
CHEMBL175321	Oc1ccc2\C(=C\3/C(=O)Nc4ccccc34)\CCc2c1	8221033	12.7
CHEMBL1909341	Cl.N(c1ccc(Oc2ccccc2)cc1)c3oc(cn3)c4ccccc4	8221691	3.56
CHEMBL514499	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N)c2cc1OC	8127659	2.62
CHEMBL187081	COc1cccc(Nc2nccc(n2)c3cnn4ncccc34)c1	8128833	13.17
CHEMBL156524	Clc1ccc(cc1)C2=C(N3CCc4ccccc34)C(=O)NC2=O	8203241	0.25
CHEMBL220243	COC(=O)c1cncc(\C=C\c2c(C)cc(O)cc2C)c1	8178618	4.21
CHEMBL63728	COc1cc(\C=N\Nc2ncnc3c2cnn3C(C)C)ccc1O	8193550	14.2
CHEMBL272414	CN(C)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(=O)(=O)N)\c2c1	8185133	14.2
CHEMBL182283	Cc1ccc(cc1)c2oc3ncnc(NC(=O)C4CC4)c3c2	8160917	1.7
CHEMBL385426	CCc1cccc(CC)c1\C=C\c2cncc(c2)C(=O)NC	8196406	-10.1
CHEMBL186213	COc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5cccc(c5)C(F)(F)F)n4	8090969	3.13
CHEMBL520037	COc1cc(Nc2ncc3c(C)nc(c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC	8161921	8.95
CHEMBL473420	COC(=O)c1sc(cc1OCc2ccccc2C(F)(F)F)n3cnc4cc(OC)c(OC)cc34	8215492	-0.23
CHEMBL1909410	OC(=O)C(F)(F)F.Fc1ccc(F)c(Cn2ccc3cc(Nc4ncnc5cc(C#C[C@@H]6C[C@H](CN6)OC(=O)N7CCOCC7)sc45)ccc23)c1	8219980	1.68
CHEMBL1909349	CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N.OC(=O)C(F)(F)F	8078865	4.4
CHEMBL1794062	Cl.COc1ccccc1Nc2oc(cn2)c3ccccc3	8092049	5.2
CHEMBL441702	CC1=C(C(CC(=O)N1)c2ccc3ccccc3c2)C(=O)Nc4ccc5[nH]ncc5c4	8213052	29.46
CHEMBL234838	Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N	8142369	-1.49
CHEMBL1909389	Cl.CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(c4)C(F)(F)F)c3c2	8143981	3.56
CHEMBL206544	CC(C)c1ccc(cc1)c2cc(ccn2)c3c[nH]nc3c4ccccn4	8071972	1.1
CHEMBL233002	Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c4ccccc14	8224532	11.48
CHEMBL1909367	Cl.COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3	8068969	-1.29
CHEMBL220465	CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)c5nonc5N	8067489	2.7
CHEMBL205765	CC(=O)Nc1cccc(n1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3	8119835	14.77
CHEMBL272026	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(cc23)C(=O)NCCCn4ccnc4)cc1	8084870	23.78
CHEMBL426800	CCn1c(nc2ccc(F)cc12)c3nonc3N	8172220	10.52
CHEMBL188381	CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c3ccnc(Nc4cccc(c4)S(=O)(=O)N)n3	8095320	12.81
CHEMBL270544	CC(=Cc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(=O)(=O)N)\c12)C	8093877	17.65
CHEMBL191105	CN(C)CCCn1c(nc2cnccc12)c3nonc3N	8211328	6.17
CHEMBL103104	NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)c3cccc(O)c3)cc1	8159747	7.23
CHEMBL237571	COc1ccc2cc(ccc2c1)c3c(nc(c4ccc(cc4C)S(=O)(=O)C)n3C)c5ccncc5	8158362	11.14
CHEMBL361237	Nc1nc(c2ccc(F)cc2)c(s1)c3ccc4ncccc4n3	8186511	6.76
CHEMBL456252	COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccsc4C(=O)N)c5cc[nH]c5n3	8155234	1.85
CHEMBL458865	COc1cc(ccc1Nc2nc(Nc3ccc(F)cc3C(=O)N)c4cc[nH]c4n2)N5CCN(CC5)C(C)C	8099014	2.03
CHEMBL1909404	NC(=O)c1ccc2c(c3ccnc(NCCCO)n3)c(nn2c1)c4ccc(F)cc4	8172938	4.59
CHEMBL1794068	C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OCC4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F	8146929	-2.39
CHEMBL506414	Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)c5cccs5)cc2Cl)c1	8101241	-0.37
CHEMBL247228	Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12	8126644	-2.37
CHEMBL373073	COc1ccc(cc1)c2oc3ncnc(N)c3c2	8138579	7.71
CHEMBL251549	NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1	8106625	19.61
CHEMBL485598	CC1=C(C(N=C(N1)c2ccc(nc2)C(F)(F)F)c3ccc(F)cc3)C(=O)Nc4ccc5[nH]ncc5c4	8200262	1.91
CHEMBL205158	C(CN1CCOCC1)Oc2ccc(cc2)c3cc(ccn3)c4c[nH]nc4c5ccccn5	8219400	4.5
CHEMBL346551	O=C1NC(=O)C(=C1Nc2ccccc2)c3ccccc3	8207471	9.57
CHEMBL1909362	Cl.CN(C)CCNC(=O)Nc1ccc(cc1)N(C)c2ccnc(Nc3ccc(CS(=O)(=O)C)cc3)n2	8195593	-1.93
CHEMBL486124	Cc1nc(c2ccccc2)n3nc(NCCCN4CCOCC4)ncc13	8094956	4.63
CHEMBL1909376	Cl.CCn1c(nc2cncc(C(=O)N3CCNCC3)c12)c4nonc4N	8092337	4.72
CHEMBL232601	O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C3CC3)c4cccc5ccccc45	8224891	16.11
CHEMBL1909372	Cl.CN1CCN(CCCNc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1	8171129	1.78
CHEMBL13972	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccc(cc5)C#N)n4	8109239	3.3
CHEMBL185962	Nc1nonc1c2nc3cnccc3n2C4CC4	8213405	-0.07
CHEMBL218970	CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1	8137146	10.63
CHEMBL275666	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5cccc(c5)C(F)(F)F)n4	8100575	7.58
CHEMBL1096290	CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)c4nonc4N	8077056	3.25
CHEMBL517507	Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CCC4	8084485	0.59
CHEMBL183993	CCOc1ccc2c(cnn2n1)c3ccnc(Nc4cccc(c4)C(F)(F)F)n3	8090764	5.28
CHEMBL463931	COc1cc2c(cc1Nc3nc(Nc4ccsc4C(=O)N)c5cc[nH]c5n3)N(CCC2(C)C)C(=O)CN(C)C	8176064	2.78
CHEMBL67241	CCCNc1cccc(c1)n2ncc3c(N\N=C\c4ccncc4)ncnc23	8141697	11.66
CHEMBL263796	CNC(=O)c1cncc(\C=C\c2c(Cl)cccc2Cl)c1	8091330	2.48
CHEMBL468963	CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2C(F)(F)F	8070943	17.57
CHEMBL517666	CCC(=O)Nc1ccc(C)c(c1)c2ccc(cc2)C(=O)NCC3CC3	8091709	4.69
CHEMBL1909397	Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(=O)(=O)N)C(=O)Nc12	8072443	12.66
CHEMBL1909407	Cl.Nc1nccc(n1)c2c(ncn2C3CCNCC3)c4ccc(F)cc4	8226242	3.47
CHEMBL1909344	Cl.CN1CCC(CC1)C(=O)Nc2n[nH]c3nnc(cc23)c4ccccc4	8184456	17.56
CHEMBL260417	Oc1ccc(cc1)c2nc3[nH]nc(NC(=O)C4CC4)c3cc2Br	8212028	54.95
CHEMBL176857	COc1ccccc1c2cc(\C=C\3/C(=O)Nc4ncc(Br)cc34)cc(Br)c2O	8194566	0.51
CHEMBL1909361	Cl.CN(c1ccc(NC(=O)NCCN2CCOCC2)cc1)c3ccnc(Nc4ccc(CS(=O)(=O)C)cc4)n3	8165390	14.96
CHEMBL1794073	Cl.CN(c1ccc2c(C)nn(C)c2c1)c3ccnc(Nc4cccc(c4)S(=O)(=O)N)n3	8180254	54.89
CHEMBL14014	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5cccc(F)c5)n4	8127293	2.69
CHEMBL1909378	Cl.NC(=O)c1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4	8065371	8.87
CHEMBL215814	CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(c4)C(F)(F)F)c3c2	8206444	13.35
CHEMBL189148	Clc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccccc5)n4	8204825	-2.06
CHEMBL1794061	Cl.N#Cc1cccc(Nc2oc(cn2)c3ccccc3)c1	8069774	10.73
CHEMBL1909381	Cl.Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(=O)N)n2)cc1O	8219016	32.66
CHEMBL218720	CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3ccc4[nH]nc(C)c4c3	8161559	70.66
CHEMBL269450	Fc1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1	8140131	-0.55
CHEMBL1516890	Cn1cc(C=C2C(=O)Nc3cccnc23)c4ccccc14	8063954	-6.11
CHEMBL516908	Cc1ccc(NC(=O)CC2CC2)cc1c3ccc(cc3)C(=O)NCC4CC4	8210395	6.97
CHEMBL269985	COc1ccc(CNC(=O)c2ccc(cc2)c3cc(ccc3C)c4oc(C)nn4)cc1	8196758	19.92
CHEMBL1794067	C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OC[C@@H](O)CO)cc23)c4ccccc4Cl	8080952	0.21
CHEMBL270054	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(Cl)cc23)cc1	8192549	11.66
CHEMBL1794064	CCn1c(nc2c(ncc(OCCCN)c12)C#CCN)c3nonc3N.OC(=O)C(F)(F)F	8115280	13.73
CHEMBL513897	CCCN1CCC=C(C1)c2ccc(Nc3nc(Nc4ccccc4C(=O)N)c5cc[nH]c5n3)c(C)c2	8099865	3.46
CHEMBL477069	CCCN1CCCC(C1)c2ccc(Nc3nc(Nc4cc(F)ccc4C(=O)N)c5cc[nH]c5n3)c(OC)c2	8168387	-0.81
CHEMBL529066	Cl.CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2	8122101	1.78
CHEMBL179465	CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(F)c3)c1	8131848	10.43
CHEMBL1909395	Cl.Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(CNCCS(=O)(=O)c6ccccc6)cc5)cc2Cl)c1	8149542	5.23
CHEMBL275473	CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3ccccc3)c1	8106978	0.33
CHEMBL231013	COc1ccc(cc1C(=O)N)c2ccncc2	8105438	3.27
CHEMBL427159	COc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc(F)c(F)c5)n4	8190711	14.56
CHEMBL273611	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccc6OCOc6c5)n4	8140881	4.29
CHEMBL1909355	Cl.CS(=O)(=O)CCNCc1nc(cs1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2	8124278	4.25
CHEMBL458415	COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(N4CCc5ccccc45)c6cc[nH]c6n3	8145525	-3.36
CHEMBL1096634	CCn1c(nc2c(nc(OC[C@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N	8107696	-0.29
CHEMBL373751	COc1cc2ncn(c3cc(OCc4ccccc4S(=O)(=O)C)c(C#N)s3)c2cc1OC	8222046	5.39
CHEMBL410072	CC(C)(CO)CNC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(=O)(=O)N)\c2c1	8120477	2.13
CHEMBL179311	CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(OC)c3)c1	8187692	-4.39
CHEMBL396107	Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12	8174419	-10.9
CHEMBL1909390	OC(=O)C(F)(F)F.[O-][S+]1CCN(Cc2oc(cc2)c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)CC1	8144344	9.08
CHEMBL519881	COc1cc(Nc2ncc3c(C)nc(c4cccc(Oc5ccccc5)c4)n3n2)cc(OC)c1OC	8132275	-5.12
CHEMBL473629	COc1cc2ncn(c3cc(OCCc4ccccc4)c(s3)C(=O)N)c2cc1OC	8079505	-5.52
CHEMBL1096626	CCn1c(nc2c(nc(OC[C@@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N	8097948	2.1
CHEMBL305477	COc1cccc(\C=N\Nc2ncnc3c2cnn3c4cccc(OC)c4)c1	8140514	4.23
CHEMBL194062	NS(=O)(=O)c1ccc(Nc2oc(cn2)c3ccccc3)cc1	8157112	5.63
CHEMBL471789	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)C)c2cc1OC	8103867	2.47
CHEMBL1909366	Cl.COC(=O)Nc1nc2cc(Oc3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)ccc2[nH]1	8073884	4.36
CHEMBL272165	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(cc23)C(=O)NCc4ccncc4)cc1	8183830	9.66
CHEMBL196022	COc1ccc(cc1)c2coc3ncnc(N)c23	8224138	2.67
CHEMBL188268	NCc1ccc(cc1)n2c(nc3cnccc23)c4nonc4N	8180634	5.42
CHEMBL275200	CC(C)(C)c1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1	8153009	4.69
CHEMBL442363	COc1cccc(c1)n2nc(C)c3c(N\N=C(/C)\c4ccncc4)ncnc23	8116701	4.07
CHEMBL257113	Cc1oc(nn1)c2cccc(c2)c3ccc(cc3)C(=O)NCC4CC4	8217198	9.78
CHEMBL1909388	Cl.CS(=O)(=O)CCNCc1ccoc1c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2	8117268	-0.53
CHEMBL479038	O=C(NCC1CC1)c2ccc(cc2)c3cccc(c3)C(=O)NC4CC4	8178991	-6.93
CHEMBL208437	C(Cn1ccnc1)Oc2ccc(cc2)c3cc(ccn3)c4c[nH]nc4c5ccccn5	8181270	6.98
CHEMBL1909350	Cl.CCn1c(nc2c(nc(OCCNC)cc12)C#CC(C)(C)O)c3nonc3N	8117650	2.83
CHEMBL206010	COc1cccc(c1)c2c[nH]c3c(N\N=C\c4ccncc4)ncnc23	8106245	15.32
CHEMBL516248	COc1cccc(COc2cc(sc2C(=O)N)n3cnc4ccccc34)c1	8102757	0.01
CHEMBL1909351	Cl.NS(=O)(=O)c1cccc(Nc2cc(n[nH]2)c3ccc(F)cc3)c1	8170573	10.42
CHEMBL1909363	Cl.CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)c6nonc6N	8171570	12.13
CHEMBL1909387	Cl.CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(c5)C(F)(F)F)cc4)c3c2	8118654	1.38
CHEMBL14112	Fc1ccc(cc1)c2ncn(CCCN3CCOCC3)c2c4ccncc4	8078391	-1.2
CHEMBL1794060	Cl.COc1ccc(Nc2oc(cn2)c3ccccc3)cc1OC	8066455	7.81
CHEMBL1885746	Fc1ccc(cc1)c2nn3cc(ccc3c2c4ccnc(NC5CC5)n4)C#N	8104052	0.31
CHEMBL405042	C\C(=C/1\C(=O)Nc2ccccc12)\Nc3ccc(cc3)S(=O)(=O)N	8185843	-1.09
CHEMBL269827	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(cc23)c4ocnc4)cc1	8104794	6.12
CHEMBL188426	CCOc1ccc2c(cnn2n1)c3ccnc(Nc4cc(OC)cc(c4)C(F)(F)F)n3	8197484	6.23
CHEMBL514162	COc1cc2ncn(c3cc(OCc4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	8202240	5.86
CHEMBL1909375	CCn1c(nc2c(ncc(OC[C@@H]3CCCN3)c12)C#CC(C)(C)O)c4nonc4N.OC(=O)C(F)(F)F	8115981	2.18
CHEMBL1909399	Cl.NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3cccc(CCc4ccncc4)c23)cc1	8125917	1.96
CHEMBL218859	CNC(=O)c1cncc(\C=C\c2c(C)cccc2C)c1	8146154	-1.32
CHEMBL1794069	C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OCC4CCN(C)CC4)cc23)c5ccccc5Cl	8113093	6.05
CHEMBL408732	COc1ccc(cc1)c2ccc3c(NC(=O)C4CC4)n[nH]c3n2	8066845	10.9
CHEMBL189459	Cc1ccc2c(c3ccnc(Nc4ccccc4)n3)c(nn2n1)c5ccc(F)cc5	8200975	-5.84
CHEMBL505187	CCn1cc(c2ccnc3[nH]ccc23)c(n1)c4cccc(NC(=O)Nc5ccc(OCc6ccccc6)cc5)c4	8111421	1.7
CHEMBL222419	COc1cc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	8218661	21.91
CHEMBL1909392	Cl.CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Br)c4)c3c2	8148524	3.08
CHEMBL507329	Fc1cccc(COc2ccc(Nc3ncnc4cc(C#C[C@@H]5C[C@H](CN5)OC(=O)N6CCOCC6)sc34)cc2Cl)c1	8163587	13.72
CHEMBL1909370	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)ccc2[nH]1	8068571	11.75
CHEMBL450071	COc1cc(ccc1Nc2nc(Nc3ccc(F)cc3C(=O)NC[C@@H](O)CO)c4cc[nH]c4n2)N5CCN(CC5)C(C)C	8220333	12.34
CHEMBL241517	Nc1ncc(c2cccc(c2)S(=O)(=O)N)c3scc(c4ccc(F)c(Cl)c4)c13	8117097	6.91
CHEMBL231623	NC(=O)c1cc(cc(c1N)c2ccncc2)c3ccc(F)cc3	8201876	12.16
CHEMBL581096	Cl.Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4ccccn4	8208851	3.25
CHEMBL274863	Nc1nccc(n1)c2c(ncn2CCCN3CCOCC3)c4ccc(F)cc4	8219650	17.8
CHEMBL517171	CCCN1CCC(CC1)Oc2cc(Nc3nc(Nc4cccc(F)c4C(=O)N)c5cc[nH]c5n3)c(OC)cc2Cl	8093514	-2.49
CHEMBL65884	COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(F)cc4)ncnc23	8187320	6.9
CHEMBL101804	O=C(Nc1n[nH]c2nc(ccc12)c3occc3)C4CC4	8149989	-0.27
CHEMBL318728	N(c1ccccc1)c2oc(cn2)c3ccccc3	8087162	8.08
CHEMBL1794057	O=C1Nc2ccc(N\C=C\3/C(=O)Nc4ccccc34)cc2N1	8176793	20.82
CHEMBL1909359	Cl.CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4cccc(c4)S(=O)(=O)N)n3	8207827	9.69
CHEMBL156263	COc1ccccc1C2=C(Nc3ccccc3)C(=O)NC2=O	8162275	19.07
CHEMBL207247	CC(=O)NCc1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3	8189722	4.76
CHEMBL359963	CC(C)c1ccc(Nc2nccc(n2)c3cnn4ncccc34)cc1	8179619	8.98
CHEMBL477979	CC(C)NC(=O)c1ccc(C)c(c1)c2ccc(cc2)C(=O)NCC3CC3	8147240	-1.59
CHEMBL205966	Nc1ccc(cc1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3	8147617	0.58
CHEMBL352222	Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c3cccc(c3)[N+](=O)[O-])cc1Cl	8133297	4.63
CHEMBL1909401	[Li+].[O-]C(=O)c1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1	8144698	2.33
CHEMBL1909414	O.Cl.CN(C)CCOc1ccc(cc1)c2nc(c3ccncc3)c([nH]2)c4ccc5\C(=N\O)\CCc5c4	8222502	1.76
CHEMBL185710	CCn1c(nc2ccncc12)c3nonc3N	8062917	6.51
CHEMBL2062290	CCN1CCC(CC(=O)Nc2n[nH]c3nc(c(Br)cc23)c4cccs4)CC1.OC(C(O)C(=O)O)C(=O)O	8214864	-3.93
CHEMBL1909379	Cl.C(c1ccccc1)c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2	8200601	5.36
CHEMBL176553	COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1	8114449	5.5
CHEMBL66292	COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(cc4)S(=O)(=O)C)ncnc23	8192909	6.92
CHEMBL408564	Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1c4occc4	8073183	-1.14
CHEMBL275724	NC(=O)c1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1	8153370	0.7
CHEMBL1794055	NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1	8167377	50.71
CHEMBL243907	CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1	8115624	1.27
CHEMBL204934	COc1cccc(c1)n2cnc3c(N\N=C\c4ccncc4)ncnc23	8128490	16.28
CHEMBL185939	FC(F)(F)c1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4	8188045	24.27
CHEMBL365297	Fc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4	8189349	2.04
CHEMBL362155	FC(F)(F)c1cccc(c1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4	8067144	-0.53
CHEMBL318892	CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(Nc5ccccc5)n4	8061902	8.4
CHEMBL361894	C1COc2cc(Nc3nccc(n3)c4cnn5ncccc45)ccc2O1	8165757	19.71
CHEMBL215993	C(Oc1ccc(Nc2ncnc3ccc(cc23)c4occc4)cc1)c5ccccc5	8107271	2.21
CHEMBL1794052	COC(=O)c1ccc2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)c2c1	8152374	12.25
CHEMBL1909373	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(=O)O)cc3)ccc2[nH]1	8102413	2.01
CHEMBL365663	Nc1nc(c2cccc(Cl)c2)c(s1)c3ccc4ncccc4n3	8211675	14.3
CHEMBL1909345	Cl.CCN1CCC(CC1)C(=O)Nc2n[nH]c3nnc(cc23)c4cccc(F)c4F	8130474	-1.21
CHEMBL434729	Cc1ccc2c(c3ccnc(Nc4cccc(c4)C(F)(F)F)n3)c(nn2n1)c5ccccc5	8148186	4.74
CHEMBL480371	NC(=O)c1sc(cc1OCc2ccccc2Br)n3cnc4cc(ccc34)C(F)(F)F	8111811	5.31
CHEMBL476259	CCCN1CCC(CC1)c2ccc(Nc3nc(Nc4cc(F)ccc4C(=O)N)c5cc[nH]c5n3)c(OC)c2	8083047	20.84
CHEMBL271843	Cc1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(=O)(=O)N)\c2c1	8075233	-1.74
CHEMBL402108	Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCc4ccc(Cl)cc4	8215115	16.94
CHEMBL1794053	Cl.Nc1nc(cs1)c2ccc3NC(=O)C(=Cc4cc(Br)c(O)c(Br)c4)c3c2	8206811	-0.48
CHEMBL1909347	CN1CCC(CC1)C(=O)Nc2n[nH]c3nc(c(Br)cc23)c4ccc(O)cc4.OC(=O)\C=C/C(=O)O	8151446	3.43
CHEMBL220244	CN(C)C(=O)c1cncc(\C=C\c2c(C)cc(O)cc2C)c1	8132646	5.42
CHEMBL187985	CCn1c(nc2c(nccc12)N3CCCC3)c4nonc4N	8198418	-2.79
CHEMBL475761	CN1CCN(Cc2oc(cc2)c3cc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)CC1	8193181	18.47
CHEMBL13868	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccc(Oc6ccccc6)cc5)n4	8131457	1.84
CHEMBL477583	Cc1ccc(NC(=O)c2cocc2)cc1c3ccc(cc3)C(=O)NCC4CC4	8138961	2.95
CHEMBL588025	Cl.Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12	8119444	8.18
CHEMBL269883	CC(C)COC(=O)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(=O)(=O)N)\c2c1	8082034	12.66
CHEMBL66004	COc1cc(\C=N\Nc2ncnc3[nH]ncc23)ccc1O	8205164	9.29
CHEMBL418348	CS(=O)(=O)c1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1	8135312	4.57
CHEMBL1909365	COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1.OS(=O)(=O)O	8150717	-4.92
CHEMBL189231	Nc1nonc1c2nc3cnccc3n2C4CCCCC4	8085224	2.81
CHEMBL399410	COc1ccc2cc(ccc2c1)c3c(nc(c4ccc(cc4)[S+](C)[O-])n3C)c5ccncc5	8071623	-2.81
CHEMBL374453	CC1=C(C(CC(=O)N1)c2ccc(Cl)c(Cl)c2)C(=O)Nc3ccc4[nH]ncc4c3	8141313	36.64
CHEMBL1794056	O=C1Nc2ccccc2/C/1=C/Nc3ccc(cc3)n4cncn4	8179876	29.92
CHEMBL1909407	Cl.Nc1nccc(n1)c2c(ncn2C3CCNCC3)c4ccc(F)cc4	8084143	1.1
CHEMBL1909358	Cl.CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(n2)N(C)c3ccc4c(C)n[nH]c4c3)c1	8087500	5.13
CHEMBL1880739	Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br	8147804	2.67
CHEMBL1794072	Cl.CN(C)CCOc1ccc(cc1)c2oc(c3ccncc3)c(c2)c4ccc5C(=NO)CCc5c4	8133693	0.68
CHEMBL514261	COc1cc(ccc1Nc2nc(Nc3cccc(F)c3C(=O)O)c4cc[nH]c4n2)N5CCN(CC5)C(C)C	8225860	8.87
CHEMBL475599	CS(=O)(=O)CCNCc1cc(cs1)c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2	8096896	3.76
CHEMBL261440	Fc1ccc(F)c(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2	8163229	8.44
CHEMBL1794050	Cl.Oc1c(Br)cc(C=C2C(=O)Nc3ccc(cc23)c4cccnc4)cc1Br	8178179	1.97
CHEMBL1794071	Cl.ON=C1CCc2cc(ccc12)c3nc([nH]c3c4ccncc4)C5CCNCC5	8080197	0.05
CHEMBL1909371	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ccc2[nH]1	8074260	9.99
CHEMBL103115	NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)c3ccc(O)c(F)c3)cc1	8079868	6.94
CHEMBL272028	NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(cc23)C(=O)NCCc4c[nH]cn4)cc1	8178267	0.16
CHEMBL365286	CCn1c(nc2ccccc12)c3nonc3N	8093150	-0.06
CHEMBL233001	O=C(Nc1sc2CCCCc2c1C#N)c3cccc4ccccc34	8167765	3.68
CHEMBL524057	CCc1nn2ncccc2c1c3ccnc(NC4CC4)n3	8156021	0.58
CHEMBL384073	CC1=C(C(NC(=O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4[nH]ncc4c3	8172572	70.26
CHEMBL95502	CC1(C)CC(CC(C)(C)N1)n2cnc(c3ccc(F)cc3)c2c4ccnc(N)n4	8168747	1.68
CHEMBL1909342	OC(=O)C(=O)O.O=C(CN1CCOCC1)Nc2sc3CCCCc3c2C#N	8164587	9.38
CHEMBL179453	CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3ccccc3Cl)c1	8094221	-2.96
CHEMBL188257	COc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4	8146538	1.48
CHEMBL514938	Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)c5occc5)cc2Cl)c1	8119014	3.56
CHEMBL237347	Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)S(=O)(=O)C	8185488	11.84
CHEMBL522709	COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(=O)N)c2c1	8077783	5.43
CHEMBL30432	CN(C)c1cc2c(Nc3ccc4c(cnn4Cc5ccccc5)c3)ncnc2cn1	8062209	-0.82
CHEMBL1909356	Cl.CS(=O)(=O)CCNCc1nc(cs1)c2ccc3ncnc(Nc4ccc(OCc5cccc(c5)C(F)(F)F)cc4)c3c2	8142769	3.96
CHEMBL1909412	Cl.NCc1ccc(cc1)c2nc(c3ccc(Cl)c(O)c3)c([nH]2)c4ccncc4	8063273	2.34
CHEMBL521806	COc1cc2ncn(c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC	8093062	3.27
CHEMBL160333	Oc1ccc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)cc1Cl	8083370	7.81
CHEMBL275798	Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5ccccc5)n4	8096516	-0.07
CHEMBL365248	COc1ccc2c(cnn2n1)c3ccnc(Nc4cccc(OC(F)(F)F)c4)n3	8191903	13.04
CHEMBL475761	CN1CCN(Cc2oc(cc2)c3cc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)CC1	8087862	3.27
CHEMBL188794	COc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc(Cl)c(c5)C(F)(F)F)n4	8065031	10.62
CHEMBL192417	Cc1cccc(Nc2oc(cn2)c3ccccc3)c1	8116343	0.42
CHEMBL443563	COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1OC	8105800	-0.54
CHEMBL483747	NS(=O)(=O)c1cccc(c1)c2cc3ccncc3cc2OCc4ccccc4	8216478	2.7
CHEMBL1909409	OC(=O)C(F)(F)F.O=C(O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(Cc5ccccc5)cc4)c3s2)N6CCOCC6	8125753	1.8
CHEMBL95207	CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(N)n4	8085556	8.12
CHEMBL1789962	COc1cc(C=NNc2ncnc3c2cnn3Cc4ccccc4)ccc1O	8061571	3.34
CHEMBL1785002	NC(=O)Cc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5	8076349	-2.73
CHEMBL511765	COc1cc(C)c(NC(=O)CN(C)C)cc1Nc2nc(Nc3cccc(F)c3C(=O)N)c4cc[nH]c4n2	8123618	-4.44
CHEMBL1794058	CS(=O)(=O)Nc1ccc(N\C=C\2/C(=O)Nc3ccccc23)cc1	8139146	5.33
CHEMBL218932	CNC(=O)Oc1cc(C)c(\C=C\c2cncc(c2)C(=O)NC)c(C)c1	8154205	-1.5
CHEMBL188784	Fc1ccc(Nc2nccc(n2)c3c(nn4ncccc34)c5ccc(cc5)C(F)(F)F)cc1F	8186874	0.13
CHEMBL1909405	CN(C)CCCNc1nccc(n1)c2c(nn3cc(ccc23)C(F)(F)F)c4ccc(F)cc4.CS(=O)(=O)O	8110789	-0.9
CHEMBL303687	COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(C)cc4)ncnc23	8104424	3.83
CHEMBL270164	Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)Nc4cccc(c4)C#N	8080564	6.74
CHEMBL306865	COc1cccc(c1)n2ncc3c(N\N=C\c4ccncc4)ncnc23	8177815	15.31
CHEMBL1794059	NS(=O)(=O)c1cccc(N\C=C\2/C(=O)Nc3ccccc23)c1	8198056	6.08
CHEMBL518968	CNC(=O)c1sc(cc1OCc2ccccc2C(F)(F)F)n3cnc4cc(OC)c(OC)cc34	8112545	7.26
CHEMBL372474	CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(c3)c4ccccc4F)c1	8213509	1.93
CHEMBL160876	OC(=O)c1cc(NC2=C(C(=O)NC2=O)c3ccc(Cl)cc3)ccc1Cl	8218052	-7.51
CHEMBL531804	CN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1	8203611	8.16
CHEMBL1789961	COc1cc(C=NNc2ncnc3c2cnn3c4ccccc4)ccc1O	8128099	3.21
CHEMBL505915	COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc4nc(Nc5cccc(F)c5C(=O)N)c6cc[nH]c6n4	8094576	-3.81
CHEMBL1909411	Cl.COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	8082371	3.3
CHEMBL1909413	Cl.Oc1cccc(c1)c2nc([nH]c2c3ccncc3)c4ccccc4	8170932	5.42
CHEMBL207410	CNC(=O)c1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3	8089321	7.9
CHEMBL188048	Cn1c(nc2cnccc12)c3nonc3N	8064293	2.08
CHEMBL102936	CS(=O)(=O)Nc1ccc(cc1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2	8173604	-1.13
CHEMBL482326	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC	8075977	8.12
CHEMBL480382	COc1cc2ncn(c3cc(OCc4cccs4)c(s3)C(=O)N)c2cc1OC	8205449	19.91
CHEMBL419903	Fc1ccc(cc1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2	8216840	4.17
CHEMBL381604	Nc1nccc(n1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3	8156371	2.27
CHEMBL417804	COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5	8135677	6.54
CHEMBL230592	CNC(=O)c1cc(cc(c1N)c2ccc(cc2)S(=O)(=O)N3CCCC3)c4ccc(F)cc4	8149184	1.74
CHEMBL1882194	CCN(CC)Cc1ccc(Nc2nccc(n2)c3cnn4ncccc34)cc1	8134973	4.83
CHEMBL477182	Cc1ccc(NC(=O)c2ccnc(c2)N3CCCC3)cc1c4ccc(cc4)C(=O)NCC5CC5	8158744	5.32
CHEMBL69757	COc1cccc(c1)n2ncc3c(N\N=C\c4cccc(F)c4)ncnc23	8176437	2.01
CHEMBL381948	Fc1ccc(cc1)c2cc(ccn2)c3c[nH]nc3c4ccccn4	8207117	14.19
CHEMBL1909353	Cl.Cc1cc(cc(C)c1\C=C\c2cncc(c2)c3nn[nH]n3)c4occc4	8098605	3.09
CHEMBL230597	CS(=O)(=O)Nc1ccc(cc1)c2cc(cc(C(=O)N)c2N)c3ccccc3	8092709	2.62
CHEMBL261129	CN1CCC(CC1)C(=O)Nc2n[nH]c3nc(c(Br)cc23)c4ccc(O)cc4	8062595	19.71
CHEMBL485745	Fc1ccc(cc1)c2nn3ccccc3c2c4ccncc4	8069318	-0.62
CHEMBL103098	NS(=O)(=O)c1ccc(cc1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2	8214217	-1.13
CHEMBL1909394	Cl.CCCN(CCS(=O)(=O)C)Cc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	8184190	4.59
CHEMBL1909386	Cl.CS(=O)(=O)CCNCc1coc(c1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2	8103493	0.69
CHEMBL1909357	Cl.COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC	8198772	12.6
CHEMBL189415	FC(F)(F)c1cccc(Nc2nccc(n2)c3cnn4nc(ccc34)c5ccccc5)c1	8151808	0.5
CHEMBL1909383	Cl.COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(cc4)C(=O)NCCN(C)C)ncnc23	8222844	18.1
CHEMBL427058	CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3cc(Cl)c4[nH]ncc4c3	8159392	51.52