molecule_chembl_id,canonical_smiles,standard_value,pIC50,MW,LogP,HBD,HBA,TPSA,RotB,Label
CHEMBL471375,Cn1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21,100000.0,4.0,274.32300000000004,3.671000000000002,1,2,34.03,1,0
CHEMBL471375,Cn1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21,82700.0,4.082494490447453,274.32300000000004,3.671000000000002,1,2,34.03,1,0
CHEMBL388978,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1000.0,6.0,466.5410000000003,4.354000000000003,2,6,69.45,2,1
CHEMBL361708,NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1,7000.0,5.154901959985743,324.138,0.06629999999999997,4,4,112.36999999999998,0,0
CHEMBL388978,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,37.0,7.431798275933005,466.5410000000003,4.354000000000003,2,6,69.45,2,1
CHEMBL361708,NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1,150.0,6.823908740944319,324.138,0.06629999999999997,4,4,112.36999999999998,0,1
CHEMBL1642655,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,14.0,7.853871964321762,359.43300000000005,4.0698000000000025,1,5,64.22,3,1
CHEMBL1642656,CC(C)(C)c1ccc(C(=O)Nc2cn3c(ccc4ccccc43)n2)cc1,15.0,7.823908740944319,343.43000000000006,5.037300000000004,1,3,46.400000000000006,2,1
CHEMBL1642657,CC(C)(C(=O)O)c1ccc(C(=O)Nc2cn3cc(-c4ccsc4)ccc3n2)cc1,19.0,7.721246399047171,405.47900000000004,4.6773000000000025,2,5,83.69999999999999,5,1
CHEMBL1172777,CSc1nc(N)nc2[nH]cnc12,13300.0,4.876148359032914,181.22400000000002,0.657,2,5,80.48,1,0
CHEMBL1410917,CCCN(CCC)c1[nH]cnc2ncnc1-2,25800.0,4.58838029403677,219.292,1.9308999999999998,1,4,57.7,5,0
CHEMBL269881,Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1,25100.0,4.600326278518962,247.30199999999996,1.8941999999999999,2,5,89.71,3,0
CHEMBL1642669,COc1ccc(OC)c(Nc2nc(N)nc3[nH]cnc23)c1,18900.0,4.723538195826756,286.295,1.6958999999999997,3,7,110.97000000000001,4,0
CHEMBL264666,c1nc(N2CCCCC2)c2nc[nH]c2n1,17000.0,4.769551078621726,203.24900000000002,1.3431999999999997,1,4,57.7,1,0
CHEMBL1688215,Nc1nccc(-c2ccc3c(N)n[nH]c3c2)n1,5690.0,5.244887733604929,226.243,1.1842999999999997,3,5,106.49999999999999,1,0
CHEMBL1765740,CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1,27542.0,4.560004526046192,462.6020000000004,3.697600000000002,4,7,124.85000000000001,5,0
CHEMBL1345690,CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1C3=O,3000.0,5.522878745280337,319.31600000000003,3.328500000000002,1,5,76.49000000000001,2,0
CHEMBL1767077,CNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,4700.0,5.327902142064283,290.322,2.7916000000000007,1,4,51.1,1,0
CHEMBL1767078,CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,10000.0,5.0,304.349,3.181700000000002,1,4,51.1,2,0
CHEMBL1529134,CC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1C3=O,15000.0,4.823908740944319,289.2900000000001,3.354400000000002,1,4,67.25999999999999,1,0
CHEMBL1767070,Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2,25000.0,4.6020599913279625,320.34800000000007,2.1541000000000006,2,5,71.33000000000001,3,0
CHEMBL1767071,Cn1c(=O)c(C(=O)c2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2,35000.0,4.455931955649724,365.38800000000015,3.9809000000000028,0,4,56.14,2,0
CHEMBL1767072,CC(=O)c1c2c3c(ccc(C)c3[nH]c1=O)C(=O)c1ccccc1-2,35000.0,4.455931955649724,303.317,3.2505200000000007,1,3,67.0,1,0
CHEMBL1916359,[O-][n+]1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1-c1c(Cl)cccc1Cl,10000.0,5.0,419.6700000000002,6.301500000000003,0,2,39.83,2,0
CHEMBL1614725,CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21,10000.0,5.0,547.9650000000001,5.916600000000003,3,7,101.30000000000001,9,0
CHEMBL1929238,CN(C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CCC1=O,30000.0,4.522878745280337,554.5440000000001,5.232500000000004,2,5,84.99000000000001,6,0
CHEMBL103667,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,30000.0,4.522878745280337,527.6690000000006,5.986420000000005,2,6,80.65,7,0
CHEMBL1957085,COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)cc1,10000.0,5.0,309.325,2.675200000000001,1,5,77.25,5,0
CHEMBL2048912,CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21,10000.0,5.0,522.0340000000002,5.083800000000003,3,9,119.98,8,0
CHEMBL2148053,CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21)S(C)(=O)=O.Cc1ccc(S(=O)(=O)O)cc1,10000.0,5.0,734.6840000000002,6.455120000000006,3,10,169.57999999999998,10,0
CHEMBL2205766,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1,10000.0,5.0,346.4160000000001,1.4502999999999997,2,7,115.27,3,0
CHEMBL2205636,CC(C)(O)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,70.0,7.154901959985743,361.4050000000001,2.9997000000000016,2,6,84.45,4,1
CHEMBL2205635,CC(C)(CO)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,32.0,7.494850021680094,375.4320000000001,3.042200000000001,2,6,84.45,5,1
CHEMBL1642655,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,14.0,7.853871964321762,359.43300000000005,4.0698000000000025,1,5,64.22,3,1
CHEMBL2205634,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4cccc4)ccc3n2)cc1,30.0,7.522878745280337,358.44500000000005,4.674800000000004,1,4,51.330000000000005,3,1
CHEMBL2205633,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4cccnc4)ccc3n2)cc1,21.0,7.6777807052660805,370.4560000000001,4.946100000000004,1,4,59.290000000000006,3,1
CHEMBL2205632,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4ccccc4)ccc3n2)cc1,82.0,7.086186147616283,369.4680000000001,5.551100000000005,1,3,46.400000000000006,3,1
CHEMBL2205631,CNCc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2c1,870.0,6.060480747381382,336.439,3.603500000000003,2,4,58.43000000000001,4,1
CHEMBL2205630,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(CO)ccc3n2)cc1,129.0,6.889410289700751,323.396,3.376400000000002,2,4,66.63000000000001,3,1
CHEMBL2205629,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(Br)ccc3n2)cc1,21.0,7.6777807052660805,372.2660000000001,4.646600000000004,1,3,46.400000000000006,2,1
CHEMBL2205628,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1,16.0,7.795880017344075,327.81500000000005,4.537500000000003,1,3,46.400000000000006,2,1
CHEMBL2205627,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(F)ccc3n2)cc1,34.0,7.468521082957745,311.36,4.023200000000003,1,3,46.400000000000006,2,1
CHEMBL2205626,Cc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2c1,22.0,7.657577319177793,307.397,4.192520000000003,1,3,46.400000000000006,2,1
CHEMBL2205625,Cc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1,260.0,6.585026652029182,324.449,5.154520000000003,1,3,41.99,2,1
CHEMBL2333365,Cc1c(C(=O)N2CCOc3ccc(-c4ccc(N)nc4)cc3C2)ccc(S(C)(=O)=O)c1F,10000.0,5.0,455.5110000000002,3.2166200000000025,1,6,102.59,3,0
CHEMBL2348417,O=C(NCCO)C1=Cc2c(ncnc2Nc2ccc(Oc3cccc4sccc34)c(Cl)c2)NCC1,10000.0,5.0,508.00300000000027,5.188100000000002,4,8,108.4,7,0
CHEMBL2348417,O=C(NCCO)C1=Cc2c(ncnc2Nc2ccc(Oc3cccc4sccc34)c(Cl)c2)NCC1,10000.0,5.0,508.00300000000027,5.188100000000002,4,8,108.4,7,0
CHEMBL274480,O=C1NC(=S)S/C1=C\c1cccnc1,33000.0,4.481486060122113,222.29400000000004,1.5704,1,4,41.99,1,0
CHEMBL2348829,O=C1NC(=S)S/C1=C\c1cccc(Br)c1,33000.0,4.481486060122113,300.202,2.937900000000001,1,3,29.1,1,0
CHEMBL2348828,COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1,33000.0,4.481486060122113,415.44800000000015,3.282800000000001,2,7,104.14000000000001,4,0
CHEMBL2348827,O=C(O)C(Cc1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S,33000.0,4.481486060122113,370.45500000000004,2.9787000000000017,1,5,70.5,5,0
CHEMBL2348826,O=C(O)c1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1,33000.0,4.481486060122113,342.40100000000007,3.1856000000000018,1,5,70.5,3,0
CHEMBL1609550,O=C1/C(=C/c2ccco2)SC(=S)N1c1cccnc1,33000.0,4.481486060122113,288.353,3.080400000000002,0,5,46.34,2,0
CHEMBL2349219,O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S,500.0,6.301029995663981,469.5060000000001,5.811600000000005,1,5,70.75,8,1
CHEMBL2348825,O=C(O)CN1C(=O)/C(=C/c2ccncc2)SC1=S,33000.0,4.481486060122113,280.33,1.3674000000000002,1,5,70.5,3,0
CHEMBL2349218,CCCC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S,1800.0,5.7447274948966935,432.47900000000016,4.309300000000003,1,7,113.89,7,0
CHEMBL2349217,O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S,650.0,6.187086643357144,404.4250000000001,3.530700000000002,1,7,113.89,6,1
CHEMBL1916996,O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1,33000.0,4.481486060122113,332.36200000000014,3.3436000000000012,1,6,85.38,3,0
CHEMBL2349216,CCc1ccc(-c2ccc(/C=C3\SC(=S)N(C(CC(=O)O)C(=O)O)C3=O)o2)cc1,1800.0,5.7447274948966935,431.4910000000002,3.6381000000000023,2,6,108.05,7,0
CHEMBL2349215,CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C(CC(=O)O)C(C)=O)C3=O)o2)cc1,800.0,6.096910013008056,473.52800000000025,3.756800000000002,1,8,114.11999999999999,8,1
CHEMBL2349214,COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(C)=O)C3=O)o2)cc1,2500.0,5.6020599913279625,373.45500000000015,3.7454000000000027,0,6,59.75,5,0
CHEMBL2349221,COC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S,33000.0,4.481486060122113,405.4720000000001,4.240100000000003,0,6,59.75,6,0
CHEMBL2349213,O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S,3000.0,5.522878745280337,391.4450000000001,4.151700000000003,1,5,70.75,6,0
CHEMBL2349212,O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S,300.0,6.522878745280337,377.4180000000001,3.7616000000000023,1,5,70.75,5,1
CHEMBL2349211,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S,3000.0,5.522878745280337,363.3910000000001,3.371500000000002,1,5,70.75,4,0
CHEMBL2349210,O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(O)c1,2000.0,5.698970004336019,458.3580000000001,5.8205000000000044,1,5,53.68000000000001,3,0
CHEMBL2348824,O=C(O)CN1C(=O)/C(=C/c2ccco2)SC1=S,33000.0,4.481486060122113,269.303,1.5654000000000001,1,5,70.75,3,0
CHEMBL2349209,O=C(O)CC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S,2800.0,5.552841968657781,482.3330000000001,3.8382000000000023,2,6,108.05,6,0
CHEMBL2349208,CCCC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S,500.0,6.301029995663981,466.3780000000001,5.163600000000004,1,5,70.75,6,1
CHEMBL2349207,CCC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S,500.0,6.301029995663981,452.35100000000006,4.773500000000003,1,5,70.75,5,1
CHEMBL2349206,O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S,200.0,6.698970004336019,480.4050000000001,5.555300000000004,1,5,70.75,8,1
CHEMBL2349220,COC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S,33000.0,4.481486060122113,466.3780000000001,4.863500000000004,0,6,59.75,6,0
CHEMBL2349205,O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S,200.0,6.698970004336019,452.35100000000006,4.775100000000003,1,5,70.75,6,1
CHEMBL2349204,O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1ccc(F)cc1,33000.0,4.481486060122113,450.3430000000001,6.798300000000003,0,4,33.45,3,0
CHEMBL2349203,CSCCC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S,750.0,6.1249387366083,488.43900000000014,5.660900000000003,1,6,70.75,7,1
CHEMBL2349202,CCCC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S,3900.0,5.4089353929735005,456.3720000000001,5.707900000000004,1,5,70.75,6,0
CHEMBL2349201,O=C(O)CC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S,1000.0,6.0,472.32700000000017,4.382500000000002,2,6,108.05,6,1
CHEMBL2348839,O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S,500.0,6.301029995663981,442.3450000000001,5.319400000000003,1,5,70.75,6,1
CHEMBL2346710,CC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S,650.0,6.187086643357144,428.31800000000015,4.927700000000002,1,5,70.75,4,1
CHEMBL2348838,CCC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S,500.0,6.301029995663981,442.3450000000001,5.317800000000003,1,5,70.75,5,1
CHEMBL2348837,O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S,350.0,6.455931955649724,442.3450000000001,5.319400000000003,1,5,70.75,6,1
CHEMBL2348836,CCC(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S,750.0,6.1249387366083,407.90000000000003,4.664400000000003,1,5,70.75,5,1
CHEMBL1688850,O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S,350.0,6.455931955649724,407.90000000000015,4.666000000000003,1,5,70.75,6,1
CHEMBL2348835,O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S,1000.0,6.0,393.8730000000001,4.275900000000002,1,5,70.75,5,1
CHEMBL2348834,O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S,500.0,6.301029995663981,435.9540000000001,5.446200000000005,1,5,70.75,8,1
CHEMBL2348833,O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S,300.0,6.522878745280337,407.90000000000015,4.666000000000003,1,5,70.75,6,1
CHEMBL2348832,O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S,750.0,6.1249387366083,393.8730000000001,4.275900000000002,1,5,70.75,5,1
CHEMBL2348831,O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S,1250.0,5.903089986991944,379.84600000000006,3.8858000000000015,1,5,70.75,4,0
CHEMBL2348830,O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Nc1ccccc1,33000.0,4.481486060122113,381.309,5.221700000000003,1,4,32.34,3,0
CHEMBL3330172,Cc1cc2c(-c3ccc(S(=O)(=O)NCCN)s3)ccnc2[nH]1,251.0,6.600326278518962,336.44199999999995,1.8368200000000001,3,5,100.87,5,1
CHEMBL3330171,N#Cc1c[nH]c2c(C(N)=O)ccc(OC3CCNCC3)c12,251.0,6.600326278518962,284.3190000000001,1.2692799999999997,3,4,103.92999999999999,3,1
CHEMBL3330170,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,93.0,7.031517051446065,362.31500000000005,2.9697000000000005,2,6,84.21000000000001,4,1
CHEMBL3330169,NCCNS(=O)(=O)c1ccc(-c2c[nH]c3ncccc23)s1,50.0,7.301029995663981,322.415,1.5283999999999993,3,5,100.86999999999999,5,1
CHEMBL3330168,NC[C@H](Oc1cnc(-c2ccoc2)c(-c2c[nH]c3ncccc23)c1)c1ccccc1,7.9,8.102372908709558,396.4500000000001,4.963700000000003,2,5,89.96,6,1
CHEMBL3330167,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4cn[nH]c4)ccc3n2)cc1,6.3,8.200659450546418,359.43300000000005,4.274200000000002,2,4,75.08000000000001,3,1
CHEMBL3402508,CC(C)CCOc1cccc(C2C(C(=O)c3ccc4c(c3)CC(C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1,520.0,6.2839966563652006,572.6580000000002,6.966600000000006,1,7,88.96000000000001,8,1
CHEMBL3402507,CCCCCOc1ccc(C2C(C(=O)c3ccc4c(c3)CC(C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1,750.0,6.1249387366083,572.6580000000002,7.110700000000006,1,7,88.96000000000001,9,1
CHEMBL3402506,CCCCCOc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1,5200.0,5.2839966563652006,570.6670000000003,6.727820000000006,1,8,98.19,9,0
CHEMBL3402505,CCCCOc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1,5200.0,5.2839966563652006,577.0580000000002,6.682700000000005,1,8,98.19,8,0
CHEMBL3402504,CCCOc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1,5000.0,5.301029995663981,563.0310000000002,6.292600000000005,1,8,98.19,7,0
CHEMBL3402503,CCCCOc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1,4600.0,5.337242168318426,556.6400000000003,6.3377200000000045,1,8,98.19,8,0
CHEMBL3402502,CCCCOc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC,3600.0,5.443697499232712,621.1110000000001,7.081400000000006,1,9,107.42,10,0
CHEMBL3402501,CC(C)(C)c1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1,2500.0,5.6020599913279625,561.0590000000002,6.801300000000006,1,7,88.96000000000001,4,0
CHEMBL3402500,CCCOc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1,2000.0,5.698970004336019,542.6130000000003,5.947620000000005,1,8,98.19,7,0
CHEMBL3402499,COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)C2c2cccc(F)c2)cc1,17000.0,4.769551078621726,478.4760000000001,5.366000000000004,1,6,79.73,5,0
CHEMBL3402498,Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)C3c3ccc(C(C)C)cc3)sc2c1,6300.0,5.200659450546418,517.0500000000003,7.472840000000005,1,5,70.5,5,0
CHEMBL3402497,CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)C2c2ccc(F)cc2)cc1,5500.0,5.259637310505756,488.54000000000013,5.925420000000004,1,6,79.73,6,0
CHEMBL3402496,Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)C3c3ccc(Cl)cc3)sc2c1,2900.0,5.5376020021010435,478.9320000000002,6.180120000000003,1,5,70.5,4,0
CHEMBL3402495,Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)C2c2ccc(C(C)(C)C)cc2)cc1,7600.0,5.119186407719209,500.59500000000025,6.824220000000006,1,5,70.5,4,0
CHEMBL3402494,Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)C2c2ccc(C(C)(C)C)cc2)cc1,4400.0,5.356547323513812,496.63200000000023,6.9935400000000065,1,5,70.5,4,0
CHEMBL3402493,CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)C3c3ccc(C(C)(C)C)cc3)sc2c1,2000.0,5.698970004336019,526.6580000000002,7.083820000000006,1,6,79.72999999999999,6,0
CHEMBL3402492,CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)C3c3ccc(C(C)(C)C)cc3)sc2c1,5000.0,5.301029995663981,512.6310000000002,6.775400000000006,1,6,79.72999999999999,6,0
CHEMBL3402491,CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)C3c3ccc(Cl)cc3)sc2c1,4200.0,5.376750709602099,490.96800000000013,6.131300000000004,1,6,79.72999999999999,6,0
CHEMBL3402490,CCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1,9100.0,5.040958607678906,476.5790000000002,5.847820000000004,1,7,79.73,6,0
CHEMBL3402489,O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)C1c1cccc(Cl)c1)c1cccs1,4500.0,5.346787486224656,470.93400000000014,5.933200000000003,1,6,70.5,4,0
CHEMBL3400173,CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)C3c3ccc(C)cc3)sc2c1,4400.0,5.356547323513812,476.5790000000001,5.847820000000004,1,7,79.72999999999999,6,0
CHEMBL3402488,COc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC,38000.0,4.42021640338319,490.53700000000026,5.306240000000004,1,8,102.10000000000001,6,0
CHEMBL3402487,COc1ccccc1C1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1c1nc2c(C)cc(C)cc2s1,35500.0,4.449771646944906,474.5380000000002,5.606060000000004,1,7,92.87,5,0
CHEMBL3402486,Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)C3c3ccc(C(C)C)cc3)sc2c1,2000.0,5.698970004336019,486.59300000000025,6.720860000000005,1,6,83.64,5,0
CHEMBL3402485,Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)C2c2ccc(C(C)(C)C)cc2)o1,1550.0,5.809668301829708,490.55600000000027,6.417220000000006,1,6,83.64,4,0
CHEMBL3402484,Cc1cc(C)c2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3ccccc3)sc2c1,63000.0,4.200659450546418,430.4850000000001,5.2890400000000035,1,6,83.64,4,0
CHEMBL3402483,O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)C1c1cccc(F)c1)c1ccco1,42600.0,4.370590400897281,438.4110000000001,4.950400000000003,1,6,83.64,4,0
CHEMBL3402482,Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3cccc(Br)c3)sc2c1,31000.0,4.508638306165727,495.35400000000016,5.743120000000003,1,6,83.64,4,0
CHEMBL3402481,Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3ccc(Cl)cc3)sc2c1,30200.0,4.519993057042849,450.9030000000002,5.634020000000003,1,6,83.64,4,0
CHEMBL3400832,O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)C1c1cccc(Br)c1)c1ccco1,29500.0,4.530177984021837,499.3170000000001,5.573800000000003,1,6,83.64,4,0
CHEMBL3400831,O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)C1c1cccc(Cl)c1)c1ccco1,28200.0,4.549750891680639,454.86600000000016,5.464700000000002,1,6,83.64,4,0
CHEMBL3400830,O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)C1c1ccc(Br)cc1)c1ccco1,28200.0,4.549750891680639,499.3170000000001,5.573800000000003,1,6,83.64,4,0
CHEMBL3400829,Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3ccc(Br)cc3)sc2c1,28200.0,4.549750891680639,495.35400000000016,5.743120000000003,1,6,83.64,4,0
CHEMBL3400828,COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3ccc(Cl)cc3)sc2c1,4200.0,5.376750709602099,466.9020000000001,5.334200000000003,1,7,92.86999999999999,5,0
CHEMBL3745885,Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21,10000.0,5.0,467.4570000000001,3.6644000000000014,2,7,109.74,4,0
CHEMBL3798011,C[C@H](c1ccccc1)N1c2cc(-n3c(=O)[nH]c4ncccc43)ccc2C(=O)NC1(C)C,1000.0,6.0,413.48100000000017,3.760900000000002,2,5,83.02000000000001,3,1
CHEMBL3954836,CC(C)Oc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3[C@H](C)CO)n1)C2,5.012,8.299988937677888,393.4470000000001,2.841000000000001,1,7,93.37,6,1
CHEMBL3975466,COCCOc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3[C@H](C)CO)n1)C2,7.943,8.100015437450608,409.44600000000014,2.0789999999999997,1,8,102.60000000000002,8,1
CHEMBL3946139,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(OC[C@@H]4CN(C)CCO4)cc3C2=O)n1,6.31,8.199970640755867,448.5270000000003,2.7908000000000017,0,8,85.61,6,1
CHEMBL3966978,COCCOc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,7.943,8.100015437450608,393.4470000000001,3.106600000000002,0,7,82.37000000000002,7,1
CHEMBL3937245,CC(C)Oc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,15.85,7.79997073344623,377.4480000000001,3.8686000000000025,0,6,73.14,5,1
CHEMBL3955870,O=C1c2ccccc2CN1c1cccc(-c2nncn2CC2CCO2)n1,794.33,6.0999990348465305,347.37800000000016,2.2894000000000005,0,6,73.14,4,1
CHEMBL3928256,CC(CC#N)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,19.95,7.700057099977233,344.3780000000001,2.9751800000000017,0,6,87.7,4,1
CHEMBL3925645,CC(CF)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,12.59,7.899974269892137,337.35800000000006,3.0310000000000015,0,5,63.910000000000004,4,1
CHEMBL3953259,CC(CCO)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,39.81,7.400007822415902,349.39400000000006,2.4439,1,6,84.14,5,1
CHEMBL3934521,C[C@@H](CO)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,31.62,7.50003813440381,335.3670000000001,2.0538,1,6,84.14,4,1
CHEMBL3962015,C[C@H](CO)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,10.0,8.0,335.3670000000001,2.0538,1,6,84.14,4,1
CHEMBL3943495,CC[C@H](C)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,19.95,7.700057099977233,333.3950000000001,3.4715000000000016,0,5,63.910000000000004,4,1
CHEMBL3890544,CC[C@@H](C)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,50.12,7.299988937677887,333.3950000000001,3.4715000000000016,0,5,63.910000000000004,4,1
CHEMBL3952214,CC(C)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,12.59,7.899974269892137,319.3680000000001,3.0814000000000012,0,5,63.910000000000004,3,1
CHEMBL3981026,Cc1cc(F)c(C(=O)Nc2ccccn2)cc1-n1cnc(C2CC2)c1,6309.57,5.200000237109354,336.3700000000002,3.844520000000001,1,4,59.81,4,0
CHEMBL3960900,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2)n1,398.11,6.399996913372259,307.357,3.173300000000001,1,5,72.7,4,1
CHEMBL3891901,Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1,50.12,7.299988937677887,339.3740000000001,3.620820000000002,1,5,72.7,4,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.012,8.299988937677888,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3644035,CC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CC3CC3)cn2)cc1,81.0,7.0915149811213505,349.4340000000001,3.926000000000002,2,4,67.15,5,1
CHEMBL3644036,CC(C)(O)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3CC2CC2)cc1,3.0,8.522878745280337,428.33000000000015,4.688500000000003,2,4,67.15,5,1
CHEMBL3644037,CCn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,3.0,8.522878745280337,402.29200000000014,4.298400000000003,2,4,67.15,4,1
CHEMBL3644038,CCn1cc(C)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,7.0,8.154901959985743,337.42300000000006,3.8443200000000024,2,4,67.15,4,1
CHEMBL3894807,CCn1ccc2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,55.0,7.259637310505756,339.39500000000004,2.5083,3,5,87.38000000000001,5,1
CHEMBL3955000,CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,6.0,8.221848749616356,373.84000000000015,3.1617000000000015,3,5,87.38000000000001,5,1
CHEMBL3644041,Cn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,5.0,8.301029995663981,388.26500000000016,3.815500000000003,2,4,67.15,3,1
CHEMBL3916273,Cn1cc(Br)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,7.0,8.154901959985743,404.2640000000002,2.7879000000000014,3,5,87.38000000000001,4,1
CHEMBL3644043,C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(ccn3C3CC3)cn2)cc1,69.0,7.161150909262744,351.4060000000001,2.8233000000000015,3,5,87.38000000000001,5,1
CHEMBL3910870,CCn1cc(C)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,14.0,7.853871964321762,353.4220000000001,2.816720000000001,3,5,87.38000000000001,5,1
CHEMBL3644045,Cc1cn(C)c2cc(NC(=O)c3ccc(C(C)(C)O)cc3)ncc12,19.0,7.721246399047171,323.396,3.3614200000000016,2,4,67.15,3,1
CHEMBL3937743,CCn1cc(Br)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,2.0,8.698970004336019,418.29100000000017,3.2708000000000013,3,5,87.38000000000001,5,1
CHEMBL3644048,C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3C2CC2)cc1,2.0,8.698970004336019,430.30200000000013,3.5858000000000017,3,5,87.38,5,1
CHEMBL3644049,C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Cl)cn3C2CC2)cc1,4.0,8.397940008672037,385.85100000000017,3.476700000000002,3,5,87.38,5,1
CHEMBL3644050,Cn1cc(Cl)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,11.0,7.958607314841775,343.8140000000001,3.706400000000002,2,4,67.15,3,1
CHEMBL3644051,Cn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,60.0,7.221848749616356,378.2590000000001,4.359800000000003,2,4,67.15,3,1
CHEMBL3963789,CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21,9.0,8.045757490560675,373.84000000000015,3.1617000000000015,3,5,87.38000000000001,5,1
CHEMBL3644035,CC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CC3CC3)cn2)cc1,237.0,6.6252516539898965,349.4340000000001,3.926000000000002,2,4,67.15,5,1
CHEMBL3644036,CC(C)(O)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3CC2CC2)cc1,62.0,7.2076083105017466,428.33000000000015,4.688500000000003,2,4,67.15,5,1
CHEMBL3644037,CCn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,8.0,8.096910013008056,402.29200000000014,4.298400000000003,2,4,67.15,4,1
CHEMBL3644038,CCn1cc(C)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,20.0,7.698970004336019,337.42300000000006,3.8443200000000024,2,4,67.15,4,1
CHEMBL3894807,CCn1ccc2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,64.0,7.1938200260161125,339.39500000000004,2.5083,3,5,87.38000000000001,5,1
CHEMBL3955000,CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,16.0,7.795880017344075,373.84000000000015,3.1617000000000015,3,5,87.38000000000001,5,1
CHEMBL3644041,Cn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,10.0,8.0,388.26500000000016,3.815500000000003,2,4,67.15,3,1
CHEMBL3916273,Cn1cc(Br)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,20.0,7.698970004336019,404.2640000000002,2.7879000000000014,3,5,87.38000000000001,4,1
CHEMBL3644043,C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(ccn3C3CC3)cn2)cc1,214.0,6.669586226650809,351.4060000000001,2.8233000000000015,3,5,87.38000000000001,5,1
CHEMBL3910870,CCn1cc(C)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,17.0,7.769551078621726,353.4220000000001,2.816720000000001,3,5,87.38000000000001,5,1
CHEMBL3644045,Cc1cn(C)c2cc(NC(=O)c3ccc(C(C)(C)O)cc3)ncc12,29.0,7.5376020021010435,323.396,3.3614200000000016,2,4,67.15,3,1
CHEMBL3937743,CCn1cc(Br)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,10.0,8.0,418.29100000000017,3.2708000000000013,3,5,87.38000000000001,5,1
CHEMBL3644047,CC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CS(C)(=O)=O)cn2)cc1,12446.0,4.9049702033515485,387.46100000000007,2.5181000000000004,2,6,101.29,5,0
CHEMBL3644048,C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3C2CC2)cc1,7.0,8.154901959985743,430.30200000000013,3.5858000000000017,3,5,87.38,5,1
CHEMBL3644049,C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Cl)cn3C2CC2)cc1,6.0,8.221848749616356,385.85100000000017,3.476700000000002,3,5,87.38,5,1
CHEMBL3644050,Cn1cc(Cl)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,18.0,7.7447274948966935,343.8140000000001,3.706400000000002,2,4,67.15,3,1
CHEMBL3644051,Cn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21,146.0,6.835647144215563,378.2590000000001,4.359800000000003,2,4,67.15,3,1
CHEMBL3963789,CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21,12.0,7.920818753952375,373.84000000000015,3.1617000000000015,3,5,87.38000000000001,5,1
CHEMBL3890514,CCn1ccc2cnc(NC(=O)c3ccc([C@@](C)(O)CO)c(C)c3)cc21,528.0,6.277366077466188,353.4220000000001,2.816720000000001,3,5,87.38000000000001,5,1
CHEMBL3644053,CC(C)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Cl)cn3C2CC2)cc1,16.0,7.795880017344075,383.8790000000001,4.546800000000003,2,4,67.15,5,1
CHEMBL3927617,Cn1cc(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21,38.0,7.42021640338319,359.8130000000001,2.6788000000000007,3,5,87.38000000000001,4,1
CHEMBL3966379,Cn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,19.0,7.721246399047171,359.8130000000001,2.6788000000000007,3,5,87.38000000000001,4,1
CHEMBL3936587,Cn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21,122.0,6.913640169325252,394.25800000000015,3.332200000000002,3,5,87.38000000000001,4,1
CHEMBL3974873,CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)c(C)c3)cc21,41.0,7.3872161432802645,387.8670000000002,3.4701200000000014,3,5,87.38000000000001,5,1
CHEMBL3683259,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1,1.44,8.84163750790475,503.5920000000004,3.283500000000002,1,11,115.88,7,1
CHEMBL3683260,CC1(O)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1.58,8.801342913045577,503.5920000000003,3.017900000000002,2,11,126.87999999999998,7,1
CHEMBL3683261,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)cs1)C(F)(F)F,2.62,8.581698708680255,559.5780000000005,4.071900000000004,1,11,115.88,7,1
CHEMBL3683262,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(O)C3)cn2)cs1)C(F)(F)F,1.69,8.772113295386326,559.5780000000004,3.806300000000003,2,11,126.88,7,1
CHEMBL3683263,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N(C)C)cn2)cs1)C(F)(F)F,1.88,8.72584215073632,517.5410000000003,4.301300000000003,1,10,106.64999999999999,7,1
CHEMBL3683264,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC2)cn1,2.4,8.619788758288394,473.5660000000003,3.657000000000002,1,10,106.64999999999999,7,1
CHEMBL3683265,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC3)cn2)cs1)C(F)(F)F,1.7,8.769551078621726,529.5520000000004,4.445400000000004,1,10,106.64999999999999,7,1
CHEMBL3683266,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)cs1)C(F)(F)F,2.2,8.657577319177793,543.5790000000004,4.835500000000004,1,10,106.64999999999999,7,1
CHEMBL3683267,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCC2)cn1,1.9,8.721246399047171,487.59300000000036,4.047100000000003,1,10,106.64999999999999,7,1
CHEMBL3683268,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(O)C2)cn1,3.0,8.522878745280337,503.5920000000003,3.017900000000001,2,11,126.88,7,1
CHEMBL3683269,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(O)C3)cn2)cs1)C(F)(F)F,2.2,8.657577319177793,559.5780000000004,3.806300000000003,2,11,126.88,7,1
CHEMBL3639821,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCCC2)cn1,2.0,8.698970004336019,501.6200000000004,4.437200000000003,1,10,106.64999999999999,7,1
CHEMBL3683270,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F,0.7,9.154901959985743,557.6060000000006,5.225600000000005,1,10,106.64999999999999,7,1
CHEMBL3687971,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C)(O)CC3)cn2)cs1)C(F)(F)F,1.8,8.744727494896694,587.6320000000005,4.586500000000004,2,11,126.88,7,1
CHEMBL3687972,CC1(O)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,2.5,8.602059991327963,531.6460000000002,3.7981000000000025,2,11,126.87999999999998,7,1
CHEMBL3687973,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)cs1)C(F)(F)F,2.1,8.67778070526608,572.6210000000005,3.9871000000000034,1,11,109.88999999999999,7,1
CHEMBL3687974,CN1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,3.1,8.508638306165727,516.6350000000002,3.1987000000000014,1,11,109.89,7,1
CHEMBL3683258,CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,6.3,8.200659450546418,452.51400000000024,4.179900000000003,2,6,69.45,2,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.0,8.301029995663981,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4073198,COCCn1cc(NC(=O)c2csc(-c3nncn3C(C)C)n2)cn1,60.0,7.221848749616356,361.43100000000004,2.0777,1,9,99.75,7,1
CHEMBL4105386,CC(C)n1cnnc1-c1nc(C(=O)Nc2ccccn2)cs1,400.0,6.3979400086720375,314.374,2.6298000000000004,1,7,85.59,4,1
CHEMBL4084596,CCn1cc(NC(=O)c2csc(-c3nncn3C(C)C)n2)cn1,600.0,6.221848749616356,331.4050000000001,2.4512,1,8,90.52000000000001,5,1
CHEMBL4062930,CCn1cnc(NC(=O)c2cscn2)c1,100000.0,4.0,222.27300000000002,1.6118,1,5,59.81,3,0
CHEMBL4082079,CCn1cnc(NC(=O)c2ccoc2)c1,500000.0,3.3010299956639813,205.217,1.7482999999999997,1,4,60.06,3,0
CHEMBL3891901,Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1,55.0,7.259637310505756,339.3740000000001,3.620820000000002,1,5,72.7,4,1
CHEMBL3981026,Cc1cc(F)c(C(=O)Nc2ccccn2)cc1-n1cnc(C2CC2)c1,6000.0,5.221848749616356,336.3700000000002,3.844520000000001,1,4,59.81,4,0
CHEMBL4083562,CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F,0.7,9.154901959985743,557.6060000000006,5.225600000000005,1,10,106.64999999999999,7,1
CHEMBL4205988,CN(C)c1cccc(Nc2nccc(NCCOc3ccccc3)n2)c1,2000.0,5.698970004336019,349.438,3.7771000000000026,2,6,62.31,8,0
CHEMBL359730,c1ccc(Nc2ncnc3[nH]cnc23)cc1,10000.0,5.0,211.22800000000004,2.0965,2,4,66.49000000000001,2,0
CHEMBL361227,Fc1ccc(Nc2[nH]cnc3ncnc2-3)cc1,10000.0,5.0,229.21800000000002,2.1872,2,4,66.49000000000001,2,0
CHEMBL4204805,Clc1cccc(Nc2ncnc3[nH]cnc23)c1,10000.0,5.0,245.673,2.7498999999999993,2,4,66.49000000000001,2,0
CHEMBL3431228,CC(=O)Nc1cccc(Nc2ncnc3[nH]cnc23)c1,10000.0,5.0,268.28,2.0548999999999995,3,5,95.58999999999999,3,0
CHEMBL4208205,CN(C)c1cccc(Nc2ncnc3[nH]cnc23)c1,10000.0,5.0,254.297,2.1624999999999996,2,5,69.72999999999999,3,0
CHEMBL1644356,c1ccc(Nc2ncc3ccccc3n2)cc1,10000.0,5.0,221.26300000000003,3.373400000000001,1,3,37.81,2,0
CHEMBL4214456,Clc1cccc(Nc2ncc3ccccc3n2)c1,10000.0,5.0,255.708,4.0268000000000015,1,3,37.81,2,0
CHEMBL4211446,Fc1ccc(Nc2ncc3ccccc3n2)cc1,10000.0,5.0,239.25300000000004,3.512500000000001,1,3,37.81,2,0
CHEMBL4211961,CC(=O)Nc1cccc(Nc2ncc3ccccc3n2)c1,900.0,6.045757490560675,278.315,3.331800000000001,2,4,66.91,3,1
CHEMBL4212924,Nc1cccc(Nc2ncc3ccccc3n2)c1,10000.0,5.0,236.27800000000005,2.9556000000000004,2,4,63.83,2,0
CHEMBL4208553,Brc1ccc2nc(Nc3ccccc3)ncc2c1,10000.0,5.0,300.15900000000005,4.135900000000002,1,3,37.81,2,0
CHEMBL4203678,Fc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1,10000.0,5.0,318.14900000000006,4.275000000000002,1,3,37.81,2,0
CHEMBL4213056,CC(=O)Nc1cccc(Nc2ncc3cc(Br)ccc3n2)c1,10000.0,5.0,357.211,4.094300000000002,2,4,66.91,3,0
CHEMBL4202621,Nc1cccc(Nc2ncc3cc(Br)ccc3n2)c1,10000.0,5.0,315.17400000000004,3.7181000000000015,2,4,63.83,2,0
CHEMBL4214280,CC(C)(C)C(=O)N(c1ccccc1)c1cccc(Nc2ncc3cc(Br)ccc3n2)c1,10000.0,5.0,475.39000000000016,6.846700000000005,1,4,58.120000000000005,4,0
CHEMBL4214507,Nc1cccc(-c2ccc3nc(Nc4ccccc4)ncc3c2)c1,10000.0,5.0,312.37600000000003,4.622600000000002,2,4,63.83,3,0
CHEMBL4213241,c1ccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)cc1,10000.0,5.0,287.326,3.7635000000000014,2,4,66.49000000000001,3,0
CHEMBL4213931,Cn1cc(-c2ccc3nc(Nc4ccccc4)ncc3c2)cn1,10000.0,5.0,301.35300000000007,3.773900000000002,1,5,55.63,3,0
CHEMBL4208855,CC(=O)Nc1cccc(Nc2ncc3cc(-c4cccc(N)c4)ccc3n2)c1,10000.0,5.0,369.42800000000005,4.581000000000001,3,5,92.93,4,0
CHEMBL4215414,CC(=O)Nc1cccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)c1,200.0,6.698970004336019,344.378,3.7219000000000007,3,5,95.58999999999999,4,1
CHEMBL4205418,CC(=O)Nc1cccc(Nc2ncc3cc(-c4cnn(C)c4)ccc3n2)c1,10000.0,5.0,358.40500000000003,3.7323000000000013,2,6,84.73,4,0
CHEMBL4215465,Nc1cccc(Nc2ncc3cc(-c4cccc(N)c4)ccc3n2)c1,10000.0,5.0,327.3910000000001,4.204800000000002,3,5,89.85,3,0
CHEMBL4217652,Nc1cccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)c1,600.0,6.221848749616356,302.34100000000007,3.345700000000001,3,5,92.51,3,1
CHEMBL4205944,Cn1cc(-c2ccc3nc(Nc4cccc(N)c4)ncc3c2)cn1,10000.0,5.0,316.36800000000005,3.3561000000000005,2,6,81.65,3,0
CHEMBL4214195,CC(C)(C)C(=O)N(c1ccccc1)c1cccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)c1,10000.0,5.0,462.5570000000002,6.474300000000005,2,5,86.8,5,0
CHEMBL4202507,Cn1cc(-c2ccc3nc(Nc4cccc(N(C(=O)C(C)(C)C)c5ccccc5)c4)ncc3c2)cn1,10000.0,5.0,476.5840000000002,6.484700000000006,1,6,75.94,5,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,6.0,8.221848749616356,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4278211,COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,736.0,6.133122185662502,416.46300000000014,1.8293,2,8,142.09000000000003,6,1
CHEMBL4278211,COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,1.5,8.823908740944319,416.46300000000014,1.8293,2,8,142.09000000000003,6,1
CHEMBL4286123,CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1,73.0,7.136677139879544,414.49100000000016,2.9349000000000016,2,7,118.86999999999999,7,1
CHEMBL4293924,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(N)=O)c2)n1,580.0,6.236572006437063,350.3820000000001,2.2721999999999998,2,6,115.79,5,1
CHEMBL4286022,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(-c3ncc[nH]3)c2)n1,170.0,6.769551078621726,373.4200000000001,3.5634000000000015,2,6,101.38000000000001,5,1
CHEMBL4290518,CCS(=O)(=O)Nc1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1,0.32,9.494850021680094,444.51700000000017,2.943500000000001,2,8,128.10000000000002,8,1
CHEMBL4290518,CCS(=O)(=O)Nc1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1,41.0,7.3872161432802645,444.51700000000017,2.943500000000001,2,8,128.10000000000002,8,1
CHEMBL4282644,COc1ccc(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,1.0,9.0,380.40800000000013,2.2808,2,7,125.02,6,1
CHEMBL4282644,COc1ccc(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,94.0,7.026872146400302,380.40800000000013,2.2808,2,7,125.02,6,1
CHEMBL4287097,COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.0,8.301029995663981,415.47500000000014,2.585400000000001,1,8,116.07000000000001,6,1
CHEMBL4287097,COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,140.0,6.853871964321762,415.47500000000014,2.585400000000001,1,8,116.07000000000001,6,1
CHEMBL4279174,CNC(=O)c1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1,2.4,8.619788758288394,394.4350000000001,2.541500000000001,2,7,111.02999999999999,6,1
CHEMBL4279174,CNC(=O)c1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1,272.0,6.565431095965801,394.4350000000001,2.541500000000001,2,7,111.02999999999999,6,1
CHEMBL4283739,COc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,0.1,10.0,430.4900000000001,2.13772,2,8,142.09000000000003,6,1
CHEMBL4283739,COc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,84.0,7.075720713938118,430.4900000000001,2.13772,2,8,142.09000000000003,6,1
CHEMBL4294318,COc1cc(C)c(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,0.42,9.3767507096021,394.4350000000001,2.58922,2,7,125.02,6,1
CHEMBL4294318,COc1cc(C)c(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,28.0,7.552841968657781,394.4350000000001,2.58922,2,7,125.02,6,1
CHEMBL4289040,COc1cc(C)c(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,4.0,8.397940008672037,429.5020000000001,2.8938200000000007,1,8,116.07000000000001,6,1
CHEMBL4289040,COc1cc(C)c(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,73.0,7.136677139879544,429.5020000000001,2.8938200000000007,1,8,116.07000000000001,6,1
CHEMBL4284524,O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21,740.0,6.130768280269024,327.3430000000001,3.9046000000000003,4,2,80.91,0,1
CHEMBL4294912,O=C1NCc2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccccc3c21,3000.0,5.522878745280337,327.3430000000001,3.904600000000001,4,2,80.91,0,0
CHEMBL4284275,COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21,50000.0,4.301029995663981,357.36900000000014,4.049600000000002,4,3,90.14,1,0
CHEMBL4279758,CC(=O)N[C@@H]1C[C@H](n2c3ccccc3c3c4c(c5c6cc(O)ccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O,50000.0,4.301029995663981,498.5390000000002,3.5510000000000015,5,6,128.61,2,0
CHEMBL4287662,CC(=O)N[C@@H]1C[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O,6400.0,5.1938200260161125,498.5390000000002,3.5510000000000015,5,6,128.61,2,0
CHEMBL4288105,C[C@@H]1O[C@@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O,1100.0,5.958607314841775,456.5020000000002,3.373600000000001,5,6,125.53,1,0
CHEMBL4277459,CC(=O)N[C@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,770.0,6.113509274827518,480.52400000000034,3.616600000000002,3,6,97.52000000000001,1,1
CHEMBL4291517,C[C@@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4,4100.0,5.3872161432802645,455.47000000000025,3.1784000000000017,4,7,108.88,0,0
CHEMBL4280872,C[C@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4,50000.0,4.301029995663981,455.47000000000025,3.1784000000000017,4,7,108.88,0,0
CHEMBL388978,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,0.69,9.161150909262744,466.5410000000003,4.354000000000003,2,6,69.45,2,1
CHEMBL4466569,COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC,18.0,7.7447274948966935,510.5500000000003,5.587400000000005,1,8,104.57000000000001,7,1
CHEMBL4449840,COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC,9.0,8.045757490560675,509.5620000000003,6.1924000000000055,1,7,91.67999999999999,7,1
CHEMBL3330170,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,131.0,6.882728704344236,362.31500000000005,2.9697000000000005,2,6,84.21000000000001,4,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.9,8.229147988357855,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4451125,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2F)n1,76.0,7.119186407719209,325.34700000000004,3.312400000000002,1,5,72.7,4,1
CHEMBL4470285,O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccccc21,161.0,6.79317412396815,321.34000000000003,2.3749000000000002,1,6,81.93000000000002,0,1
CHEMBL4561768,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccccc21,11.0,7.958607314841775,335.367,2.7650000000000006,1,6,81.93000000000002,0,1
CHEMBL4447729,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,20.0,7.698970004336019,349.39400000000006,3.155100000000002,1,6,81.93000000000002,0,1
CHEMBL4521694,COc1ccccc1C(=O)Nc1cccc(-c2nncn2C)n1,92.0,7.036212172654444,309.329,2.138,1,6,81.92999999999999,4,1
CHEMBL4514925,C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,4.0,8.397940008672037,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL4537756,C[C@@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,350.0,6.455931955649724,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL4462230,C[C@@H]1CCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn2C1,14.0,7.853871964321762,349.39400000000006,3.011000000000001,1,6,81.93,0,1
CHEMBL4442116,C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,13.0,7.886056647693163,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4565615,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2O1,165.0,6.782516055786093,349.3940000000001,3.153500000000001,1,6,81.93,0,1
CHEMBL4469413,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(F)cc21,17.0,7.769551078621726,353.357,2.9041000000000015,1,6,81.93000000000002,0,1
CHEMBL4590290,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)ccc21,8.0,8.096910013008056,353.357,2.9041000000000015,1,6,81.93000000000002,0,1
CHEMBL4562269,C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21,7.0,8.154901959985743,367.38400000000007,3.4651000000000014,1,6,81.93,0,1
CHEMBL4542440,C[C@@H]1CCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn2C1,8.0,8.096910013008056,367.3840000000001,3.1501,1,6,81.93,0,1
CHEMBL4590759,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(Br)cc21,31.0,7.508638306165727,414.26300000000003,3.5275000000000025,1,6,81.93000000000002,0,1
CHEMBL4548492,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,8.0,8.096910013008056,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4544934,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21,28.0,7.552841968657781,432.48400000000026,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4473364,CS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,8.0,8.096910013008056,413.4590000000003,2.1685,1,8,116.07000000000001,1,1
CHEMBL4569388,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,4.0,8.397940008672037,415.4570000000002,3.259120000000001,1,8,99.75,1,1
CHEMBL4475667,Cn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,5.0,8.301029995663981,415.4570000000002,3.1655000000000006,1,8,99.75,1,1
CHEMBL4456722,CN(C)CCn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,6.0,8.221848749616356,472.5530000000003,3.190100000000001,1,9,102.99000000000001,4,1
CHEMBL4591648,C[C@@H]1CCOc2cc(F)c(-c3cnn(CCN(C)C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,8.0,8.096910013008056,504.5700000000002,3.5752000000000015,1,9,102.99000000000001,4,1
CHEMBL4466569,COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC,869.0,6.060980223551334,510.5500000000003,5.587400000000005,1,8,104.57000000000001,7,1
CHEMBL4449840,COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC,277.0,6.557520230935552,509.5620000000003,6.1924000000000055,1,7,91.67999999999999,7,1
CHEMBL3330170,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,13.0,7.886056647693163,362.31500000000005,2.9697000000000005,2,6,84.21000000000001,4,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,20.0,7.698970004336019,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4451125,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2F)n1,8164.0,5.088097003955967,325.34700000000004,3.312400000000002,1,5,72.7,4,0
CHEMBL4551282,COc1ccccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,299.0,6.52432881167557,337.38300000000004,3.1819000000000015,1,6,81.92999999999999,5,1
CHEMBL4470285,O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccccc21,6065.0,5.217169194797409,321.34000000000003,2.3749000000000002,1,6,81.93000000000002,0,0
CHEMBL4561768,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccccc21,1210.0,5.91721462968355,335.367,2.7650000000000006,1,6,81.93000000000002,0,0
CHEMBL4447729,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,1776.0,5.750557038557417,349.39400000000006,3.155100000000002,1,6,81.93000000000002,0,0
CHEMBL4521694,COc1ccccc1C(=O)Nc1cccc(-c2nncn2C)n1,3735.0,5.427709393848582,309.329,2.138,1,6,81.92999999999999,4,0
CHEMBL4514925,C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,73.0,7.136677139879544,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL4537756,C[C@@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,5152.0,5.288024145648245,349.39400000000006,3.3260000000000005,1,6,81.93,0,0
CHEMBL4462230,C[C@@H]1CCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn2C1,232.0,6.634512015109101,349.39400000000006,3.011000000000001,1,6,81.93,0,1
CHEMBL4442116,C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,351.0,6.454692883534176,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4565615,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2O1,969.0,6.013676222949234,349.3940000000001,3.153500000000001,1,6,81.93,0,1
CHEMBL4469413,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(F)cc21,658.0,6.181774106386045,353.357,2.9041000000000015,1,6,81.93000000000002,0,1
CHEMBL4590290,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)ccc21,867.0,6.06198090252379,353.357,2.9041000000000015,1,6,81.93000000000002,0,1
CHEMBL4562269,C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21,43.0,7.366531544420414,367.38400000000007,3.4651000000000014,1,6,81.93,0,1
CHEMBL4542440,C[C@@H]1CCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn2C1,95.0,7.022276394711152,367.3840000000001,3.1501,1,6,81.93,0,1
CHEMBL4548492,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,107.0,6.97061622231479,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4544934,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21,253.0,6.5968794788241825,432.48400000000026,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4473364,CS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,1437.0,5.842543231865775,413.4590000000003,2.1685,1,8,116.07000000000001,1,0
CHEMBL4569388,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,28.0,7.552841968657781,415.4570000000002,3.259120000000001,1,8,99.75,1,1
CHEMBL4475667,Cn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,25.0,7.6020599913279625,415.4570000000002,3.1655000000000006,1,8,99.75,1,1
CHEMBL4456722,CN(C)CCn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,148.0,6.8297382846050425,472.5530000000003,3.190100000000001,1,9,102.99000000000001,4,1
CHEMBL4591648,C[C@@H]1CCOc2cc(F)c(-c3cnn(CCN(C)C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,37.0,7.431798275933005,504.5700000000002,3.5752000000000015,1,9,102.99000000000001,4,1
CHEMBL388978,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,19.9,7.701146923590294,466.5410000000003,4.354000000000003,2,6,69.45,2,1
CHEMBL4438748,CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc4c(=O)ccoc4c3)c2)cc1,10000.0,5.0,457.4860000000002,4.128800000000003,2,6,100.88000000000001,7,0
CHEMBL4474208,CS(=O)(=O)Nc1cc(-c2ccncc2)cnc1Cl,10000.0,5.0,283.74,2.1685,1,4,71.95,3,0
CHEMBL4447729,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,1000.0,6.0,349.39400000000006,3.155100000000002,1,6,81.93000000000002,0,1
CHEMBL4457403,O=C1Nc2cccc(n2)-c2nncn2C/C=C/COc2c(Br)cccc21,10000.0,5.0,412.24700000000007,3.3035000000000014,1,6,81.93000000000002,0,0
CHEMBL4442116,C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,1000.0,6.0,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4536051,Cc1ncn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)c1C,1000.0,6.0,429.48400000000026,3.567540000000002,1,8,99.75000000000001,1,1
CHEMBL4455414,Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,1000.0,6.0,349.39400000000023,3.0734200000000005,1,6,81.93000000000002,0,1
CHEMBL4548492,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,1000.0,6.0,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4447729,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,100.0,7.0,349.39400000000006,3.155100000000002,1,6,81.93000000000002,0,1
CHEMBL4442116,C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,100.0,7.0,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4536051,Cc1ncn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)c1C,100.0,7.0,429.48400000000026,3.567540000000002,1,8,99.75000000000001,1,1
CHEMBL4455414,Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,349.39400000000023,3.0734200000000005,1,6,81.93000000000002,0,1
CHEMBL4548492,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,100.0,7.0,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4447729,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,100.0,7.0,349.39400000000006,3.155100000000002,1,6,81.93000000000002,0,1
CHEMBL4457403,O=C1Nc2cccc(n2)-c2nncn2C/C=C/COc2c(Br)cccc21,100.0,7.0,412.24700000000007,3.3035000000000014,1,6,81.93000000000002,0,1
CHEMBL4442116,C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,100.0,7.0,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4536051,Cc1ncn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)c1C,100.0,7.0,429.48400000000026,3.567540000000002,1,8,99.75000000000001,1,1
CHEMBL4455414,Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,349.39400000000023,3.0734200000000005,1,6,81.93000000000002,0,1
CHEMBL4548492,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,100.0,7.0,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4564126,Cc1cnc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2cnccc21,5000.0,5.301029995663981,411.8240000000002,2.83542,1,6,95.8,4,0
CHEMBL4561692,COc1ncc(-c2cc3c(c(NC(=O)CN4CCOCC4)c2)COC3)cc1NS(C)(=O)=O,10000.0,5.0,462.52800000000025,1.4295999999999993,2,8,119.09,7,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3960900,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2)n1,607.0,6.2168113089247425,307.357,3.173300000000001,1,5,72.7,4,1
CHEMBL4647622,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccn(C)n2)n1,29.0,7.5376020021010435,311.34900000000005,1.9067999999999998,1,7,90.52000000000001,4,1
CHEMBL4640860,CC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1,108.0,6.966576244513051,311.34900000000005,1.9067999999999998,1,7,90.52,4,1
CHEMBL4643577,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,3.9,8.4089353929735,341.37500000000006,1.9154,1,8,99.75000000000001,5,1
CHEMBL4646085,C[C@H]1CCCOc2nn(C)cc2C(=O)Nc2cccc(n2)-c2nncn21,6.8,8.167491087293763,353.3860000000001,2.0595,1,8,99.75,0,1
CHEMBL4632465,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)c1,6164.0,5.210137369953618,340.38700000000006,2.5204000000000004,1,7,86.86000000000001,5,0
CHEMBL4641666,COc1nn(C)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1,2.4,8.619788758288394,340.38700000000006,2.5204000000000004,1,7,86.86,5,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,20.0,7.698970004336019,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3960900,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2)n1,20000.0,4.698970004336019,307.357,3.173300000000001,1,5,72.7,4,0
CHEMBL4647622,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccn(C)n2)n1,20000.0,4.698970004336019,311.34900000000005,1.9067999999999998,1,7,90.52000000000001,4,0
CHEMBL4640860,CC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1,6797.0,5.167682730077738,311.34900000000005,1.9067999999999998,1,7,90.52,4,0
CHEMBL4643577,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,90.0,7.045757490560675,341.37500000000006,1.9154,1,8,99.75000000000001,5,1
CHEMBL4646085,C[C@H]1CCCOc2nn(C)cc2C(=O)Nc2cccc(n2)-c2nncn21,32.0,7.494850021680094,353.3860000000001,2.0595,1,8,99.75,0,1
CHEMBL4632465,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)c1,20000.0,4.698970004336019,340.38700000000006,2.5204000000000004,1,7,86.86000000000001,5,0
CHEMBL4641666,COc1nn(C)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1,93.0,7.031517051446065,340.38700000000006,2.5204000000000004,1,7,86.86,5,1
CHEMBL4640063,CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1,4.1,8.387216143280265,355.40200000000016,2.3983000000000008,1,8,99.75000000000001,6,1
CHEMBL4647065,COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,6.9,8.161150909262744,381.4400000000001,2.788400000000001,1,8,99.75000000000001,7,1
CHEMBL4641264,COCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1,7.3,8.136677139879543,385.4280000000001,2.0248,1,9,108.98,8,1
CHEMBL4642504,COc1nn(-c2ccccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,17.0,7.769551078621726,404.43400000000014,2.762600000000001,1,9,112.64,6,1
CHEMBL4636506,COc1nn(-c2ccncc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,134.0,6.872895201635193,404.43400000000014,2.762600000000001,1,9,112.64,6,1
CHEMBL4633993,COc1nn(-c2cccnc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.3,8.275724130399212,404.4340000000001,2.762600000000001,1,9,112.64,6,1
CHEMBL4642251,COc1nn(-c2cncc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.6,8.2518119729938,444.4990000000001,3.6400000000000023,1,9,112.64,7,1
CHEMBL4634900,COc1nn(-c2cncc(N(C)C)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,1.9,8.721246399047171,447.5030000000001,2.8286000000000007,1,10,115.88000000000001,7,1
CHEMBL4638598,COc1nn(-c2cncnc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,16.0,7.795880017344075,405.42200000000014,2.1575999999999995,1,10,125.53000000000002,6,1
CHEMBL4632672,COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,21.0,7.6777807052660805,405.42200000000014,2.1575999999999995,1,10,125.53000000000002,6,1
CHEMBL4640063,CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1,22.0,7.657577319177793,355.40200000000016,2.3983000000000008,1,8,99.75000000000001,6,1
CHEMBL4647065,COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,12.0,7.920818753952375,381.4400000000001,2.788400000000001,1,8,99.75000000000001,7,1
CHEMBL4641264,COCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1,35.0,7.455931955649724,385.4280000000001,2.0248,1,9,108.98,8,1
CHEMBL4642504,COc1nn(-c2ccccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,299.0,6.52432881167557,404.43400000000014,2.762600000000001,1,9,112.64,6,1
CHEMBL4636506,COc1nn(-c2ccncc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,1710.0,5.767003889607846,404.43400000000014,2.762600000000001,1,9,112.64,6,0
CHEMBL4633993,COc1nn(-c2cccnc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,11.0,7.958607314841775,404.4340000000001,2.762600000000001,1,9,112.64,6,1
CHEMBL4642251,COc1nn(-c2cncc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,28.0,7.552841968657781,444.4990000000001,3.6400000000000023,1,9,112.64,7,1
CHEMBL4634900,COc1nn(-c2cncc(N(C)C)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,21.0,7.6777807052660805,447.5030000000001,2.8286000000000007,1,10,115.88000000000001,7,1
CHEMBL4638598,COc1nn(-c2cncnc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,74.0,7.130768280269024,405.42200000000014,2.1575999999999995,1,10,125.53000000000002,6,1
CHEMBL4632672,COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,138.0,6.860120913598763,405.42200000000014,2.1575999999999995,1,10,125.53000000000002,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,24.4,7.61261017366127,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4762235,CC(C)n1cnnc1-c1cccc(NC(=O)OCc2ccccc2)n1,1523.0,5.817300096663957,337.38300000000004,3.6697000000000015,1,6,81.93,5,0
CHEMBL4744430,CC(C)OC(=O)Nc1cccc(-c2nncn2C(C)C)n1,473.1,6.325047051951435,289.33900000000006,2.8779000000000012,1,6,81.92999999999999,4,1
CHEMBL4751836,CC(C)n1cnnc1-c1cccc(NC(=O)Oc2ccccc2)n1,10000.0,5.0,323.35600000000005,3.531900000000001,1,6,81.93,4,0
CHEMBL4741998,CC(C)n1cnnc1-c1cccc(NC(=O)NCc2ccccc2)n1,7018.0,5.153786636120612,336.39900000000006,3.242700000000001,2,5,84.73,5,0
CHEMBL4750505,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccc2)n1,2838.0,5.546987608878545,322.37200000000007,3.5650000000000013,2,5,84.73,4,0
CHEMBL4753726,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cccc(-c3cnn(C)c3)c2)n1,2120.0,5.673664139071248,402.46200000000016,3.9655000000000014,2,7,102.55,5,0
CHEMBL4753801,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc(-c3cnn(C)c3)cc2)n1,245.4,6.610125441609014,402.46200000000016,3.9655000000000022,2,7,102.55,5,1
CHEMBL4776637,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccccn2)n1,43.4,7.36251027048749,323.36000000000007,2.96,2,6,97.62,4,1
CHEMBL4748086,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cccnc2)n1,1208.0,5.9179330657148865,323.36000000000007,2.96,2,6,97.62,4,0
CHEMBL4745716,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccncc2)n1,337.2,6.472112434047295,323.36000000000007,2.96,2,6,97.62,4,1
CHEMBL4754232,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnccn2)n1,90.3,7.044312249686494,324.34800000000007,2.3549999999999995,2,7,110.51,4,1
CHEMBL4753312,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc(-c3cnn(C)c3)cn2)n1,64.2,7.192464971931146,403.45000000000016,3.360500000000001,2,8,115.44,5,1
CHEMBL4744931,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc(-c3ccn(C)n3)cn2)n1,64.2,7.192464971931146,403.45000000000016,3.360500000000001,2,8,115.44000000000001,5,1
CHEMBL4796219,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccn[nH]2)n1,66.7,7.175874166083451,312.33700000000005,2.288099999999999,3,6,113.41000000000001,4,1
CHEMBL4799364,Cc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)nn1C,142.7,6.845576026885353,340.39100000000013,2.6069200000000006,2,7,102.55000000000001,4,1
CHEMBL4795694,Cc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]n1,141.9,6.848017604542526,326.3640000000001,2.59652,3,6,113.41000000000001,4,1
CHEMBL4753690,CCc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]n1,152.7,6.816160962943579,340.3910000000001,2.8505000000000003,3,6,113.41000000000001,5,1
CHEMBL4788912,CC(C)c1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]n1,393.0,6.405607449624573,354.41800000000006,3.411500000000001,3,6,113.41000000000001,5,1
CHEMBL4753192,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C3CC3)n[nH]2)n1,123.7,6.907630300370879,352.40200000000016,3.1655000000000006,3,6,113.41000000000001,5,1
CHEMBL4799783,Cc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n(C)n1,4143.0,5.382685066701706,340.39100000000013,2.6069200000000006,2,7,102.55,4,0
CHEMBL4792461,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C3CC3)nn2C)n1,10000.0,5.0,366.4290000000002,3.1759000000000013,2,7,102.55,5,0
CHEMBL4753270,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnn(C)c2)n1,1859.0,5.730720610228102,326.3640000000001,2.2984999999999998,2,7,102.55,4,0
CHEMBL4763562,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1,48.5,7.314258261397736,373.42000000000013,4.113200000000002,2,6,97.62,4,1
CHEMBL4749551,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccc3cn2)n1,50.6,7.295849483160201,373.42000000000013,4.113200000000002,2,6,97.62,4,1
CHEMBL4795965,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1,69.1,7.1605219526258015,373.42000000000013,4.113200000000002,2,6,97.62,4,1
CHEMBL4759766,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cncc3ccccc23)n1,10000.0,5.0,373.42000000000013,4.113200000000002,2,6,97.62,4,0
CHEMBL4747851,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ccnc3ccccc23)n1,3258.0,5.487048920027509,373.42000000000013,4.113200000000002,2,6,97.62,4,0
CHEMBL4751918,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncnc3ccccc23)n1,71.0,7.1487416512809245,374.40800000000013,3.5082000000000013,2,7,110.51,4,1
CHEMBL4778358,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnc3ccccc3n2)n1,58.0,7.236572006437063,374.40800000000013,3.5082000000000004,2,7,110.51,4,1
CHEMBL4750857,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncc3ccccc3n2)n1,65.7,7.182434630440219,374.40800000000013,3.5082000000000004,2,7,110.51,4,1
CHEMBL4759182,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncc3[nH]cnc3n2)n1,32.6,7.486782399932061,364.3730000000001,2.2313,3,8,139.19,4,1
CHEMBL4787238,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nn(C)c3ccccc23)n1,259.3,6.586197483230649,376.42400000000015,3.4517000000000015,2,7,102.55,4,1
CHEMBL4758606,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nc3ccccc3[nH]2)n1,110.8,6.955460239607589,362.3970000000001,3.441300000000001,3,6,113.41000000000001,4,1
CHEMBL4740051,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1,85.3,7.069050968832477,362.3970000000001,3.2127,2,7,102.03,4,1
CHEMBL4754359,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnn3ccccc23)n1,3646.0,5.4381833356810425,362.3970000000001,3.2127000000000008,2,7,102.03,4,0
CHEMBL4780607,CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnc3ccccn23)n1,10000.0,5.0,362.3970000000001,3.2127000000000008,2,7,102.03,4,0
CHEMBL4792109,CC(C)n1cnnc1-c1cccc(N(C)C(=O)N(C)c2cc3ccccn3n2)n1,6641.0,5.177766519761156,390.45100000000014,3.261300000000001,0,7,84.45,4,0
CHEMBL4785979,CC(C)n1cnnc1-c1cccc(NC(=O)N(C)c2ccc3ccccc3n2)n1,318.6,6.496754228534887,387.4470000000001,4.137500000000003,1,6,88.83,4,1
CHEMBL4764071,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1,37.9,7.421360790031928,389.41900000000015,3.0856000000000003,3,7,117.85,5,1
CHEMBL4753203,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2ccc3ccccc3n2)n1,47.4,7.324221658325915,389.41900000000015,3.0856000000000003,3,7,117.85,5,1
CHEMBL4761865,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cnc3ccccc3n2)n1,113.9,6.9434762759209,390.40700000000015,2.4806,3,8,130.74,5,1
CHEMBL4752034,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2ncc3ccccc3n2)n1,81.0,7.0915149811213505,390.40700000000015,2.4806,3,8,130.74,5,1
CHEMBL4796925,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1,33.8,7.471083299722345,378.39600000000013,2.1850999999999994,3,8,122.25999999999999,5,1
CHEMBL4783726,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,2.87,8.542118103266008,411.4690000000001,3.990400000000003,1,7,90.52000000000001,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.0,8.301029995663981,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL388978,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,17.6,7.7544873321858505,466.5410000000003,4.354000000000003,2,6,69.45,2,1
CHEMBL3952214,CC(C)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,14.0,7.853871964321762,319.3680000000001,3.0814000000000012,0,5,63.910000000000004,3,1
CHEMBL3952214,CC(C)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,12.59,7.899974269892137,319.3680000000001,3.0814000000000012,0,5,63.910000000000004,3,1
CHEMBL3891901,Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1,55.0,7.259637310505756,339.3740000000001,3.620820000000002,1,5,72.7,4,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,3.0,8.522878745280337,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3981026,Cc1cc(F)c(C(=O)Nc2ccccn2)cc1-n1cnc(C2CC2)c1,6000.0,5.221848749616356,336.3700000000002,3.844520000000001,1,4,59.81,4,0
CHEMBL4451125,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2F)n1,100.0,7.0,325.34700000000004,3.312400000000002,1,5,72.7,4,1
CHEMBL4759397,CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1,270.0,6.568636235841013,315.3770000000001,2.4286000000000003,1,6,81.93,4,1
CHEMBL4759397,CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1,251.19,6.599997654072044,315.3770000000001,2.4286000000000003,1,6,81.93,4,1
CHEMBL4743649,CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(C)CCO2)n1,2.0,8.698970004336019,330.39200000000017,1.1900999999999997,1,7,85.17,4,1
CHEMBL4748155,CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3ccccc3)CCO2)n1,130.0,6.886056647693163,392.4630000000002,2.764900000000001,1,7,85.17,5,1
CHEMBL4753983,CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(c3cccnc3)CCO2)n1,31.0,7.508638306165727,393.4510000000002,2.1598999999999995,1,8,98.06,5,1
CHEMBL4744428,CC(C)n1cnnc1-c1cccc(NC(=O)[C@H]2CN(c3ccc(C4CC4)nc3)CCO2)n1,17.0,7.769551078621726,433.5160000000003,3.037300000000002,1,8,98.06,6,1
CHEMBL4846965,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3o2)n1,151.6,6.819300798703965,347.3780000000001,3.919500000000002,1,6,85.84,4,1
CHEMBL4876111,Cc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)oc2ccccc12,1106.0,5.956244873031321,361.4050000000001,4.227920000000003,1,6,85.84,4,0
CHEMBL4874376,Cc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12,16700.0,4.777283528852417,319.324,2.9692200000000017,1,6,85.84,3,0
CHEMBL4851548,CC(C)n1cnnc1-c1cccc(NC(=O)c2nc3ccccc3s2)n1,506.0,6.295849483160201,364.4340000000001,3.783000000000002,1,7,85.59,4,1
CHEMBL4853834,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1,41.4,7.382999658879101,346.39400000000006,3.654600000000001,2,5,88.49,4,1
CHEMBL4868746,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccnc3[nH]2)n1,125.1,6.90274269030658,347.38200000000006,3.0496,2,6,101.38000000000001,4,1
CHEMBL4878207,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2C)n1,743.0,6.129011186239425,360.4210000000001,3.665000000000002,1,6,77.63000000000001,4,1
CHEMBL4848718,Cc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]c2ccccc12,88.2,7.054531414868181,360.42100000000005,3.963020000000003,2,5,88.49000000000001,4,1
CHEMBL4846465,CC(C)n1cnnc1-c1cccc(NC(=O)c2[nH]c3ccccc3c2-c2ccoc2)n1,142.8,6.845271792559845,412.45300000000015,4.9146000000000045,2,6,101.63,5,1
CHEMBL4855351,Cc1ccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c2c1,32.8,7.484126156288321,360.4210000000001,3.963020000000002,2,5,88.49000000000001,4,1
CHEMBL4870487,COc1ccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c2c1,54.3,7.265200170411153,376.4200000000001,3.6632000000000016,2,6,97.72,5,1
CHEMBL4879378,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)n1,37.5,7.425968732272281,412.4570000000001,4.0447000000000015,3,6,117.17,5,1
CHEMBL4866091,CCOC(C)n1cc(-c2ccc3cc(C(=O)Nc4cccc(-c5nncn5C(C)C)n4)[nH]c3c2)cn1,91.1,7.040481623027001,484.5640000000002,5.073100000000003,2,8,115.54,8,1
CHEMBL4847905,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cnn(C5CCOCC5)c4)cc3[nH]2)n1,73.7,7.132532512140949,496.57500000000033,4.869600000000004,2,8,115.54,6,1
CHEMBL4873038,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(-c4cccnc4)cc3[nH]2)n1,68.5,7.164309428507575,423.48000000000013,4.716600000000004,2,6,101.38000000000001,5,1
CHEMBL4846645,CC(=O)Nc1cccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c12,240.1,6.619607839942972,403.4460000000001,3.6130000000000013,3,6,117.59,5,1
CHEMBL4854772,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)n1,89.6,7.047691990337875,380.83900000000006,4.3080000000000025,2,5,88.49,4,1
CHEMBL4878410,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4cn[nH]c4)c3[nH]2)n1,38.9,7.410050398674292,412.4570000000001,4.0447000000000015,3,6,117.17,5,1
CHEMBL4845717,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccncc4)c3[nH]2)n1,23.1,7.636388020107856,423.48000000000013,4.716600000000004,2,6,101.38000000000001,5,1
CHEMBL4852337,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccc(-c4ccsc4)c3[nH]2)n1,153.3,6.814457845145625,428.52100000000013,5.383100000000003,2,6,88.49,5,1
CHEMBL4870142,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(-c4cnn(C)c4)cccc3[nH]2)n1,19.6,7.707743928643524,426.48400000000015,4.055100000000002,2,7,106.30999999999999,5,1
CHEMBL4861744,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(-c4cn[nH]c4)ccc3[nH]2)n1,31.6,7.5003129173815966,412.4570000000001,4.0447000000000015,3,6,117.17,5,1
CHEMBL4850703,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1,65.5,7.183758700008217,362.3930000000001,2.627,3,6,108.71999999999998,5,1
CHEMBL4783726,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,2.87,8.542118103266008,411.4690000000001,3.990400000000003,1,7,90.52000000000001,6,1
CHEMBL4855907,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1,4.3,8.366531544420413,499.4720000000002,5.226320000000004,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.9,8.229147988357855,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4466569,COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC,6.0,8.221848749616356,510.5500000000003,5.587400000000005,1,8,104.57000000000001,7,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,12.9,7.889410289700751,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4869354,O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1)c1ccc(C(F)(F)F)cc1,532.0,6.274088367704952,448.4080000000001,5.286100000000002,3,4,99.35,4,1
CHEMBL4851372,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)c2c1,197.0,6.705533773838407,490.4890000000002,6.340400000000004,2,5,88.49000000000001,5,1
CHEMBL4856712,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)c4)c3)c2c1,62.2,7.206209615309182,409.49700000000024,5.132400000000004,1,6,77.21,5,1
CHEMBL4855684,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1,74.2,7.129596094720973,346.3940000000002,3.1682000000000006,2,5,102.47999999999999,4,1
CHEMBL4878217,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(=O)NC4CC4)c3)c2c1,271.0,6.567030709125595,386.45900000000023,3.961500000000002,2,5,88.49000000000001,5,1
CHEMBL4871624,COCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1,245.0,6.610833915635467,404.47400000000016,3.445500000000002,2,6,97.72,7,1
CHEMBL4860121,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(=O)Nc4cnn(C)c4)c3)c2c1,144.0,6.841637507904751,426.4840000000002,4.055100000000002,2,7,106.31,5,1
CHEMBL4865938,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(S(C)(=O)=O)c3)c2c1,733.0,6.134896025358872,381.4610000000002,3.472800000000002,1,6,93.53,4,1
CHEMBL4860629,CCS(=O)(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1,19.8,7.703334809738469,410.50300000000016,3.8309000000000024,2,6,105.56,6,1
CHEMBL4866123,COCn1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1,26.9,7.570247719997592,413.48500000000007,4.536700000000002,1,7,86.44000000000001,6,1
CHEMBL4855899,CCOC(C)n1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1,29.9,7.52432881167557,441.5390000000002,5.487800000000005,1,7,86.44000000000001,7,1
CHEMBL4861117,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C)c4)c3)c2c1,63.6,7.196542884351586,383.4590000000002,4.469800000000003,1,6,77.21000000000001,4,1
CHEMBL4861821,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C5CCOCC5)c4)c3)c2c1,50.1,7.300162274132754,453.55000000000035,5.284300000000004,1,7,86.44000000000001,5,1
CHEMBL4856252,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4ccnn4C)c3)c2c1,855.0,6.068033885271827,383.4590000000002,4.469800000000003,1,6,77.21000000000001,4,1
CHEMBL4846492,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)n4)c3)c2c1,37.0,7.431798275933005,410.48500000000024,4.527400000000003,1,7,90.1,5,1
CHEMBL4851116,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cccnc4)c3)c2c1,283.0,6.548213564475709,380.45500000000015,5.131300000000004,1,5,72.28,4,1
CHEMBL4869497,c1cc(-c2n[nH]c3ccc(-c4nncn4C4CC4)cc23)cc(-n2cnc(C3CC3)c2)c1,50.0,7.301029995663981,407.48100000000017,4.886400000000004,1,6,77.21,5,1
CHEMBL4862079,c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCC4)cc23)cc(-n2cnc(C3CC3)c2)c1,70.0,7.154901959985743,421.50800000000015,5.276500000000004,1,6,77.21,5,1
CHEMBL4864119,c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCCC4)cc23)cc(-n2cnc(C3CC3)c2)c1,54.1,7.266802734893431,435.5350000000002,5.666600000000004,1,6,77.21,5,1
CHEMBL4878127,c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCCCC4)cc23)cc(-n2cnc(C3CC3)c2)c1,243.0,6.614393726401688,449.56200000000024,6.0567000000000055,1,6,77.21,5,1
CHEMBL4851478,c1cc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)cc(-n2cnc(C3CC3)c2)c1,274.6,6.561299467099263,366.4280000000001,4.683100000000002,2,4,75.18,4,1
CHEMBL4859892,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3ccc(N4CCOCC4)c(-n4cnc(C5CC5)c4)c3)c2c1,31.8,7.497572880015567,494.6030000000004,4.969000000000005,1,8,89.67999999999999,6,1
CHEMBL4865331,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)cc(-n4cnc(C5CC5)c4)c3)c2c1,75.1,7.124360062995832,494.6030000000004,4.969000000000005,1,8,89.67999999999999,6,1
CHEMBL4861520,Cc1ccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)cc1-n1cnc(C2CC2)c1,56.9,7.244887733604929,423.5240000000002,5.440820000000004,1,6,77.21,5,1
CHEMBL4878227,COc1cc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)cc(-n2cnc(C3CC3)c2)c1,48.6,7.313363730737707,439.52300000000025,5.141000000000004,1,7,86.44000000000001,6,1
CHEMBL4873179,COc1ccc(-n2cnc(C3CC3)c2)cc1-c1n[nH]c2ccc(-c3nncn3C(C)C)cc12,270.0,6.568636235841013,439.5230000000002,5.1410000000000045,1,7,86.44,6,1
CHEMBL4852798,CCOC(C)n1cc(-c2cncc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1,277.0,6.557520230935552,442.5270000000002,4.882800000000003,1,8,99.33,7,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,7501.0,5.124880834537432,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL4866123,COCn1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1,9808.0,5.00841954282566,413.48500000000007,4.536700000000002,1,7,86.44000000000001,6,0
CHEMBL4855899,CCOC(C)n1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1,4462.0,5.350470434052181,441.5390000000002,5.487800000000005,1,7,86.44000000000001,7,0
CHEMBL4861117,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C)c4)c3)c2c1,8333.0,5.079198618174345,383.4590000000002,4.469800000000003,1,6,77.21000000000001,4,0
CHEMBL4861821,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C5CCOCC5)c4)c3)c2c1,12064.0,4.918508671474301,453.55000000000035,5.284300000000004,1,7,86.44000000000001,5,0
CHEMBL4846492,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)n4)c3)c2c1,8877.0,5.051733780119704,410.48500000000024,4.527400000000003,1,7,90.1,5,0
CHEMBL4869497,c1cc(-c2n[nH]c3ccc(-c4nncn4C4CC4)cc23)cc(-n2cnc(C3CC3)c2)c1,7045.0,5.152119002554625,407.48100000000017,4.886400000000004,1,6,77.21,5,0
CHEMBL4862079,c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCC4)cc23)cc(-n2cnc(C3CC3)c2)c1,7276.0,5.138107309608554,421.50800000000015,5.276500000000004,1,6,77.21,5,0
CHEMBL4864119,c1cc(-c2n[nH]c3ccc(-c4nncn4C4CCCC4)cc23)cc(-n2cnc(C3CC3)c2)c1,5502.0,5.259479413946336,435.5350000000002,5.666600000000004,1,6,77.21,5,0
CHEMBL4859892,CC(C)n1cnnc1-c1ccc2[nH]nc(-c3ccc(N4CCOCC4)c(-n4cnc(C5CC5)c4)c3)c2c1,11633.0,4.934308271906729,494.6030000000004,4.969000000000005,1,8,89.67999999999999,6,0
CHEMBL4861520,Cc1ccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)cc1-n1cnc(C2CC2)c1,8729.0,5.0590355065072,423.5240000000002,5.440820000000004,1,6,77.21,5,0
CHEMBL4878227,COc1cc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)cc(-n2cnc(C3CC3)c2)c1,11294.0,4.9471522165991395,439.52300000000025,5.141000000000004,1,7,86.44000000000001,6,0
CHEMBL4643577,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,6.0,8.221848749616356,341.37500000000006,1.9154,1,8,99.75000000000001,5,1
CHEMBL4865259,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)CO)n1,7.0,8.154901959985743,357.3740000000001,0.8877999999999999,2,9,119.98000000000002,6,1
CHEMBL4867144,COC[C@@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1,31.0,7.508638306165727,371.4010000000001,1.5418999999999998,1,9,108.98,7,1
CHEMBL4867281,COC[C@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1,44.0,7.356547323513812,371.4010000000001,1.5418999999999998,1,9,108.98,7,1
CHEMBL4848618,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H]2CCOC2)n1,8.0,8.096910013008056,369.38500000000016,1.2958999999999998,1,9,108.98000000000002,5,1
CHEMBL4860731,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCOC2)n1,5.0,8.301029995663981,369.38500000000016,1.2958999999999998,1,9,108.98000000000002,5,1
CHEMBL4857053,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1,9.0,8.045757490560675,395.345,2.4578000000000007,1,8,99.75000000000001,5,1
CHEMBL4860819,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,3.0,8.522878745280337,395.345,2.4578000000000007,1,8,99.75000000000001,5,1
CHEMBL4863056,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1,94.0,7.026872146400302,395.345,2.4578000000000007,1,8,99.75000000000001,5,1
CHEMBL4864439,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)F)n1,37.0,7.431798275933005,377.355,2.1605999999999996,1,8,99.75000000000001,6,1
CHEMBL4878163,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)F)n1,6.0,8.221848749616356,377.355,2.1605999999999996,1,8,99.75000000000001,6,1
CHEMBL4868362,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1,1.0,9.0,407.3560000000001,2.3859000000000004,1,8,99.75000000000001,5,1
CHEMBL4860716,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2CC(F)(F)C2)n1,20.0,7.698970004336019,389.3660000000001,2.3047000000000004,1,8,99.75000000000001,5,1
CHEMBL4876558,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2CCC2(F)F)n1,5.0,8.301029995663981,389.3660000000001,2.3047000000000004,1,8,99.75000000000001,5,1
CHEMBL4857751,CCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1,2.0,8.698970004336019,409.3720000000001,2.9407000000000014,1,8,99.75000000000001,6,1
CHEMBL4871543,COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,2.0,8.698970004336019,435.4100000000001,3.3308000000000018,1,8,99.75000000000001,7,1
CHEMBL4862258,COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,3.0,8.522878745280337,463.3420000000001,3.483100000000001,1,8,99.75000000000001,6,1
CHEMBL4850048,COCCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1,2.0,8.698970004336019,439.3980000000001,2.5672000000000006,1,9,108.98,8,1
CHEMBL4866921,COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,3.0,8.522878745280337,459.3920000000001,2.700000000000001,1,10,125.53000000000002,6,1
CHEMBL4862847,COc1nn(-c2cccnn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,3.0,8.522878745280337,459.39200000000005,2.700000000000001,1,10,125.53000000000002,6,1
CHEMBL4861953,COc1ccccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,3.0,8.522878745280337,391.353,3.724300000000002,1,6,81.92999999999999,5,1
CHEMBL4874460,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3c2OCCN3C)n1)C(F)(F)F,7.0,8.154901959985743,432.4060000000002,3.5443000000000016,1,7,85.17,4,1
CHEMBL4875364,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3cccnc23)n1)C(F)(F)F,2.0,8.698970004336019,412.37500000000006,4.263900000000002,1,6,85.59,4,1
CHEMBL4877113,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3nccnc23)n1)C(F)(F)F,3.0,8.522878745280337,413.36300000000006,3.658900000000002,1,7,98.48,4,1
CHEMBL4852061,COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,7.0,8.154901959985743,392.341,3.119300000000001,1,7,94.82000000000001,5,1
CHEMBL4873779,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccn(C)c2=O)n1)C(F)(F)F,18.0,7.7447274948966935,392.34100000000007,2.4144000000000005,1,7,94.7,4,1
CHEMBL4862220,COc1ncncc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,17.0,7.769551078621726,393.32900000000006,2.5143000000000004,1,8,107.71,5,1
CHEMBL4853505,COc1ncc(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,3.0,8.522878745280337,406.36800000000005,3.4277200000000017,1,7,94.82000000000001,5,1
CHEMBL4849014,COc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,7.0,8.154901959985743,410.331,3.2584000000000017,1,7,94.82000000000001,5,1
CHEMBL4643577,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,90.0,7.045757490560675,341.37500000000006,1.9154,1,8,99.75000000000001,5,1
CHEMBL4865259,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)CO)n1,2895.0,5.538351431936545,357.3740000000001,0.8877999999999999,2,9,119.98000000000002,6,0
CHEMBL4867144,COC[C@@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1,403.0,6.394694953858891,371.4010000000001,1.5418999999999998,1,9,108.98,7,1
CHEMBL4867281,COC[C@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1,793.0,6.100726812682396,371.4010000000001,1.5418999999999998,1,9,108.98,7,1
CHEMBL4848618,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H]2CCOC2)n1,144.0,6.841637507904751,369.38500000000016,1.2958999999999998,1,9,108.98000000000002,5,1
CHEMBL4860731,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCOC2)n1,129.0,6.889410289700751,369.38500000000016,1.2958999999999998,1,9,108.98000000000002,5,1
CHEMBL4857053,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1,40.0,7.3979400086720375,395.345,2.4578000000000007,1,8,99.75000000000001,5,1
CHEMBL4860819,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,17.0,7.769551078621726,395.345,2.4578000000000007,1,8,99.75000000000001,5,1
CHEMBL4863056,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)(F)F)n1,350.0,6.455931955649724,395.345,2.4578000000000007,1,8,99.75000000000001,5,1
CHEMBL4864439,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H](C)C(F)F)n1,143.0,6.844663962534939,377.355,2.1605999999999996,1,8,99.75000000000001,6,1
CHEMBL4878163,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)F)n1,7.0,8.154901959985743,377.355,2.1605999999999996,1,8,99.75000000000001,6,1
CHEMBL4868362,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1,31.0,7.508638306165727,407.3560000000001,2.3859000000000004,1,8,99.75000000000001,5,1
CHEMBL4860716,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2CC(F)(F)C2)n1,316.0,6.5003129173815966,389.3660000000001,2.3047000000000004,1,8,99.75000000000001,5,1
CHEMBL4876558,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2CCC2(F)F)n1,7.0,8.154901959985743,389.3660000000001,2.3047000000000004,1,8,99.75000000000001,5,1
CHEMBL4857751,CCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1,13.0,7.886056647693163,409.3720000000001,2.9407000000000014,1,8,99.75000000000001,6,1
CHEMBL4871543,COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,9.0,8.045757490560675,435.4100000000001,3.3308000000000018,1,8,99.75000000000001,7,1
CHEMBL4862258,COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,36.0,7.443697499232712,463.3420000000001,3.483100000000001,1,8,99.75000000000001,6,1
CHEMBL4850048,COCCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1,15.0,7.823908740944319,439.3980000000001,2.5672000000000006,1,9,108.98,8,1
CHEMBL4866921,COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,58.0,7.236572006437063,459.3920000000001,2.700000000000001,1,10,125.53000000000002,6,1
CHEMBL4862847,COc1nn(-c2cccnn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,50.0,7.301029995663981,459.39200000000005,2.700000000000001,1,10,125.53000000000002,6,1
CHEMBL4861953,COc1ccccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,53.0,7.275724130399211,391.353,3.724300000000002,1,6,81.92999999999999,5,1
CHEMBL4874460,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3c2OCCN3C)n1)C(F)(F)F,187.0,6.728158393463501,432.4060000000002,3.5443000000000016,1,7,85.17,4,1
CHEMBL4875364,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3cccnc23)n1)C(F)(F)F,72.0,7.142667503568732,412.37500000000006,4.263900000000002,1,6,85.59,4,1
CHEMBL4877113,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3nccnc23)n1)C(F)(F)F,50.0,7.301029995663981,413.36300000000006,3.658900000000002,1,7,98.48,4,1
CHEMBL4852061,COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,27.0,7.568636235841013,392.341,3.119300000000001,1,7,94.82000000000001,5,1
CHEMBL4873779,C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccn(C)c2=O)n1)C(F)(F)F,363.0,6.440093374963888,392.34100000000007,2.4144000000000005,1,7,94.7,4,1
CHEMBL4862220,COc1ncncc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,302.0,6.519993057042849,393.32900000000006,2.5143000000000004,1,8,107.71,5,1
CHEMBL4853505,COc1ncc(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,51.0,7.292429823902063,406.36800000000005,3.4277200000000017,1,7,94.82000000000001,5,1
CHEMBL4849014,COc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,25.0,7.6020599913279625,410.331,3.2584000000000017,1,7,94.82000000000001,5,1
CHEMBL4098877,C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1,428.0,6.368556230986828,379.46400000000006,3.5648000000000026,1,6,76.16000000000001,4,1
CHEMBL4088216,CN1C(=O)[C@@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)COc2ccccc21,1000.0,6.0,402.45400000000024,2.353699999999999,0,5,67.67,3,1
CHEMBL4549667,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3Br)C2=O)COc2ccccc21,1000.0,6.0,481.3500000000002,3.116200000000001,0,5,67.67,3,1
CHEMBL4097778,CN1C(=O)[C@@H](N2CCc3cn(CC4CCS(=O)(=O)CC4)nc3C2=O)COc2ccccc21,1000.0,6.0,458.5400000000003,1.1301999999999994,0,7,101.81000000000002,3,1
CHEMBL3330170,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,90.0,7.045757490560675,362.31500000000005,2.9697000000000005,2,6,84.21000000000001,4,1
CHEMBL4449840,COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC,6.0,8.221848749616356,509.5620000000003,6.1924000000000055,1,7,91.67999999999999,7,1
CHEMBL1765740,CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1,10000.0,5.0,462.6020000000004,3.697600000000002,4,7,124.85000000000001,5,0
CHEMBL4098877,C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1,428.0,6.368556230986828,379.46400000000006,3.5648000000000026,1,6,76.16000000000001,4,1
CHEMBL1231206,Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1,60.0,7.221848749616356,374.4690000000001,4.363720000000003,2,5,66.91,1,1
CHEMBL4531334,CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1,10000.0,5.0,482.5880000000002,3.7002000000000024,1,6,82.84,5,0
CHEMBL5431768,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OCc2cncn2-3)n1,31.0,7.508638306165727,419.4200000000002,3.390500000000001,1,8,99.75000000000001,4,1
CHEMBL5411317,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc2c(cc1F)OCc1cncn1-2,114.0,6.943095148663527,417.4040000000001,3.1445000000000007,1,8,99.75,4,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,17.0,7.769551078621726,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL5437227,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OCC(=O)N3C)n1,26.0,7.585026652029182,410.4090000000002,2.6676,1,7,102.24000000000001,4,1
CHEMBL5399807,CC(CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OCC(=O)N3)n1,147.0,6.8326826652518236,412.3810000000002,1.6156999999999992,3,8,131.26,5,1
CHEMBL5406106,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)OC(C)(C)C(=O)N3)n1,49.0,7.309803919971486,424.4360000000002,3.421900000000001,2,7,111.03000000000002,4,1
CHEMBL5417817,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCC(=O)N3)n1,19.0,7.721246399047171,394.4100000000002,3.1971000000000007,2,6,101.8,4,1
CHEMBL5411752,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCC(=O)N3C)n1,29.0,7.5376020021010435,408.43700000000024,3.221400000000002,1,6,93.00999999999999,4,1
CHEMBL5411561,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)C(C)(C)CC(=O)N3)n1,102.0,6.991399828238082,422.4640000000002,3.9322000000000026,2,6,101.8,4,1
CHEMBL5401473,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)C(C)(C)CC(=O)N3C)n1,63.0,7.200659450546418,436.49100000000027,3.956500000000003,1,6,93.00999999999999,4,1
CHEMBL5430975,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCC(=O)N3)n1,86.0,7.0655015487564325,408.43700000000024,3.587200000000001,2,6,101.8,4,1
CHEMBL5406935,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCC(=O)N3)c1,200.0,6.698970004336019,407.44900000000024,4.192200000000002,2,5,88.91,4,1
CHEMBL5421028,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCC(=O)N3C)n1,161.0,6.79317412396815,422.4640000000003,3.611500000000002,1,6,93.00999999999999,4,1
CHEMBL5433012,CC(CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCC(=O)N3C)n1,200.0,6.698970004336019,438.4630000000003,2.5839,2,7,113.23999999999998,5,1
CHEMBL4783726,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,2.87,8.542118103266008,411.4690000000001,3.990400000000003,1,7,90.52000000000001,6,1
CHEMBL5427887,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)c2)cc1-n1cnc(C2CC2)c1,12.9,7.889410289700751,444.51400000000024,5.288920000000004,1,6,77.63000000000001,6,1
CHEMBL5418366,CN1N=C(C(F)(F)F)C2C=C(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)C(=O)NC21,2700.0,5.568636235841013,445.40500000000026,2.0806999999999993,2,7,104.50999999999999,4,0
CHEMBL5407513,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c(=O)[nH]c21,488.89,6.310788845921346,444.37700000000024,2.5210999999999997,2,8,123.38,4,1
CHEMBL5417583,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)n1,2660.0,5.575118363368933,446.39300000000014,2.7671,2,8,123.37999999999998,4,0
CHEMBL5439242,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)c1,5000.0,5.301029995663981,445.40500000000014,3.3721000000000014,2,7,110.48999999999998,4,0
CHEMBL5417367,CCCCn1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3[nH]c2=O)n1,978.0,6.009661145212399,460.42000000000013,2.9863,2,8,123.37999999999998,6,1
CHEMBL5395030,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCC4)n3)c(=O)[nH]c21,2180.0,5.661543506395395,472.4310000000003,3.3013000000000012,2,8,123.38,4,0
CHEMBL5424839,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCC4)c3)c(=O)[nH]c21,5000.0,5.301029995663981,471.4430000000003,3.9063000000000025,2,7,110.48999999999998,4,0
CHEMBL5412415,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCCC4)n3)c(=O)[nH]c21,5000.0,5.301029995663981,486.45800000000037,3.6914000000000016,2,8,123.38,4,0
CHEMBL5421044,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCCC4)c3)c(=O)[nH]c21,5000.0,5.301029995663981,485.47000000000037,4.296400000000003,2,7,110.48999999999998,4,0
CHEMBL5404747,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3n(C)c2=O)c1,5000.0,5.301029995663981,459.4320000000002,3.382500000000001,1,8,99.63,4,0
CHEMBL5401525,CCn1c(=O)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc2c(C(F)(F)F)nn(C)c21,1570.0,5.804100347590766,514.5120000000003,4.184700000000004,1,9,112.52000000000001,5,0
CHEMBL5419388,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CCCC4)n3)c(OCc3ccccc3F)nc21,1020.0,5.991399828238082,580.5460000000004,5.726100000000004,1,9,112.64,7,0
CHEMBL5399125,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c(OCc3ccccc3F)nc21,1290.0,5.889410289700751,552.4920000000003,4.945900000000003,1,9,112.64,7,0
CHEMBL5432766,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3nc2OCc2ccccc2F)n1,5000.0,5.301029995663981,554.5080000000003,5.191900000000004,1,9,112.64,7,0
CHEMBL4783726,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,7.38,8.131943638176958,411.4690000000001,3.990400000000003,1,7,90.52000000000001,6,1
CHEMBL1234429,O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O,5000.0,5.301029995663981,516.5040000000002,3.8945000000000025,3,5,108.97999999999999,8,0
CHEMBL5426009,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnn(C3CCC3)c2)cn(Cc2ccccc2F)c1=O,289.0,6.539102157243452,550.5980000000003,4.864900000000004,1,9,112.52000000000001,8,1
CHEMBL5440185,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnn(C(F)F)c2)cn(Cc2ccccc2F)c1=O,290.89,6.53627120834891,546.5130000000001,4.535000000000004,1,9,112.52000000000001,8,1
CHEMBL5400071,CC(C)n1cc(-c2cc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c(=O)n(Cc3ccccc3F)c2)cn1,9.13,8.039529222465701,538.5870000000002,4.720800000000003,1,9,112.52000000000002,8,1
CHEMBL5424950,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnn(C3CC3)c2)cn(Cc2ccccc2F)c1=O,1.73,8.761953896871205,536.5710000000003,4.474800000000004,1,9,112.52000000000001,8,1
CHEMBL5405312,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2ccc3[nH]ccc3c2)cn(Cc2ccccc2F)c1=O,5000.0,5.301029995663981,545.5780000000002,5.424700000000004,2,7,110.49000000000001,7,0
CHEMBL5414169,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cccc3[nH]ccc23)cn(Cc2ccccc2F)c1=O,5000.0,5.301029995663981,545.5780000000002,5.424700000000004,2,7,110.49000000000001,7,0
CHEMBL5415758,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cnc(Cl)nc2)cn(Cc2ccccc2F)c1=O,2370.0,5.6252516539898965,542.9620000000002,4.386800000000003,1,9,120.47999999999999,7,0
CHEMBL5394085,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2ccc3scnc3c2)cn(Cc2ccccc2F)c1=O,5000.0,5.301029995663981,563.6180000000002,5.553100000000004,1,9,107.59,7,0
CHEMBL5435837,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2cccnc2)cn(Cc2ccccc2F)c1=O,5000.0,5.301029995663981,507.52900000000017,4.338400000000003,1,8,107.59,7,0
CHEMBL5437066,O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(Br)cn(Cc2ccccc2F)c1=O,5000.0,5.301029995663981,509.3390000000001,4.038900000000003,1,7,94.69999999999999,6,0
CHEMBL4294912,O=C1NCc2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccccc3c21,943.9,6.0250740139102374,327.3430000000001,3.904600000000001,4,2,80.91,0,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,73.0,7.136677139879544,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,84.0,7.075720713938118,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,86.0,7.0655015487564325,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,47.0,7.327902142064283,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,53.0,7.275724130399211,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,39.0,7.4089353929735005,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1209.0,5.917573699139228,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,991.0,6.003926345514724,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,906.0,6.042871802323187,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1233.0,5.909036923404268,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,963.0,6.016373712875465,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,501.0,6.300162274132754,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2684.0,5.571217488503046,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1716.0,5.7654827164873135,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,116.0,6.935542010773082,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1283.0,5.891773343625071,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1469.0,5.832978204209743,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1581.0,5.801068130067791,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,34.0,7.468521082957745,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,32.0,7.494850021680094,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,29.0,7.5376020021010435,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,4.0,8.397940008672037,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,3.0,8.522878745280337,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,3.0,8.522878745280337,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1381.0,5.8598063214213685,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1734.0,5.760950906859809,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1917.0,5.717377887121938,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,4792.0,5.319483190618745,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,3332.0,5.47729500726525,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,368.0,6.434152181326482,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2291.0,5.6399749108106025,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,125.0,6.903089986991944,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2267.0,5.644548479873483,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2405.0,5.618884919290149,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2546.0,5.594141600682363,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,52.0,7.2839966563652006,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,40.0,7.3979400086720375,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,26.0,7.585026652029182,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,23.0,7.638272163982407,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,30.0,7.522878745280337,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1159.0,5.935916564036404,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1134.0,5.945386945443112,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1488.0,5.82739706879014,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2487.0,5.604324214730064,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1731.0,5.7617029321246065,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,367.0,6.43533393574791,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1059.0,5.975104039892515,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,219.0,6.6595558851598815,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1303.0,5.885055584287415,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1588.0,5.799149501908922,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1140.0,5.943095148663527,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,38.0,7.42021640338319,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,27.0,7.568636235841013,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,39.0,7.4089353929735005,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,21.0,7.6777807052660805,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,23.0,7.638272163982407,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,66.0,7.180456064458132,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,49.0,7.309803919971486,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,46.0,7.337242168318426,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2061.0,5.685922008220787,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1580.0,5.801342913045577,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1621.0,5.790216985151485,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5139.0,5.289121382314827,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,557.0,6.254144804826271,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,3493.0,5.456801414362353,445.50200000000024,4.683920000000002,1,7,90.52,6,0
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2928.0,5.533428927613646,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2813.0,5.550830267834799,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,33.0,7.481486060122112,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,47.0,7.327902142064283,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2016.0,5.6955094722265125,445.50200000000024,4.683920000000002,1,7,90.52,6,0
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2700.0,5.568636235841013,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,540.0,6.267606240177032,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,133.0,6.876148359032914,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,421.0,6.375717904164332,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2492.0,5.603451962012868,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1167.0,5.93292914395463,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,168.0,6.774690718274137,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1918.0,5.717151397165355,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2169.0,5.6637404479858064,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2325.0,5.633577042774027,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,32.0,7.494850021680094,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,34.0,7.468521082957745,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,38.0,7.42021640338319,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,21.0,7.6777807052660805,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,18.0,7.7447274948966935,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,26.0,7.585026652029182,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,44.0,7.356547323513812,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,46.0,7.337242168318426,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,42.0,7.376750709602099,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1230.0,5.910094888560602,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1170.0,5.931814138253839,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1385.0,5.858550226599532,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,513.0,6.289882634888183,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,299.0,6.52432881167557,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,179.0,6.747146969020107,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,530.0,6.275724130399211,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,132.0,6.87942606879415,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,670.0,6.173925197299173,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,244.0,6.61261017366127,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,96.0,7.017728766960431,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1329.0,5.876475019057268,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1355.0,5.868060704789575,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1729.0,5.762205006726077,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,693.0,6.159266765388193,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,423.0,6.373659632624958,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,43.0,7.366531544420414,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,477.0,6.321481620959886,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,266.0,6.575118363368933,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,57.0,7.2441251443275085,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,617.0,6.209714835966758,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,283.0,6.548213564475709,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,31.0,7.508638306165727,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1367.0,5.864231485432177,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1613.0,5.792365632611038,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,2064.0,5.685290307044826,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,520.0,6.2839966563652006,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,310.0,6.508638306165727,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,88.0,7.055517327849832,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,446.0,6.350665141287858,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,175.0,6.756961951313706,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,68.0,7.167491087293763,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,747.0,6.126679398184601,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,126.0,6.899629454882437,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1773.0,5.751291264399082,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,11.0,7.958607314841775,445.50200000000024,4.683920000000002,1,7,90.52,6,1
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CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1554.0,5.808548985535104,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1474.0,5.831502516476967,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,41.0,7.3872161432802645,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,43.0,7.366531544420414,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,37.0,7.431798275933005,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1042.0,5.9821322810364945,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1124.0,5.949233688766958,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1132.0,5.946153573147748,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,457.0,6.34008379993015,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,611.0,6.213958789757446,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,460.0,6.337242168318426,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1313.0,5.881735273910521,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1137.0,5.944239535312265,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1346.0,5.870954940112042,445.50200000000024,4.683920000000002,1,7,90.52,6,0
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,20.0,7.698970004336019,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL4778541,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.Cl.Cl,14.0,7.853871964321762,432.3550000000001,4.913400000000005,1,5,64.22,3,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL1231206,Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1,60.0,7.221848749616356,374.4690000000001,4.363720000000003,2,5,66.91,1,1
CHEMBL466397,CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1,25000.0,4.6020599913279625,851.9809999999993,6.8580000000000085,2,12,146.53,12,0
CHEMBL5560406,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1,2.9,8.537602002101044,413.4850000000002,4.236400000000002,1,7,90.52000000000001,6,1
CHEMBL3330170,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,93.0,7.031517051446065,362.31500000000005,2.9697000000000005,2,6,84.21000000000001,4,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.0,8.301029995663981,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL3891901,Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1,55.0,7.259637310505756,339.3740000000001,3.620820000000002,1,5,72.7,4,1
CHEMBL3981026,Cc1cc(F)c(C(=O)Nc2ccccn2)cc1-n1cnc(C2CC2)c1,6000.0,5.221848749616356,336.3700000000002,3.844520000000001,1,4,59.81,4,0
CHEMBL5559765,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CNCc2c(C4CC4)ncn2-3)n1,10.0,8.0,472.5280000000003,3.9787000000000017,2,8,102.55,5,1
CHEMBL5563768,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CNCCc2c(C4CC4)ncn2-3)n1,10.0,8.0,486.55500000000035,4.021200000000002,2,8,102.55,5,1
CHEMBL5555559,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCCc2nc(C4CC4)cn2-3)n1,10.0,8.0,471.54000000000036,4.864200000000004,1,7,90.52,5,1
CHEMBL5559621,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CNCc2nc(C4CC4)cn2-3)n1,10.0,8.0,472.5280000000003,3.9787000000000017,2,8,102.55,5,1
CHEMBL5532414,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)COCc2nc(C4CC4)cn2-3)n1,10.0,8.0,473.51200000000034,4.405700000000003,1,8,99.75000000000001,5,1
CHEMBL5532134,CC(C)n1cnnc1-c1nc(NC(=O)c2cc3c(cc2F)CCCc2nc(C4CC4)cn2-3)cs1,50.0,7.301029995663981,477.5690000000003,4.925700000000004,1,8,90.52000000000001,5,1
CHEMBL5560919,CC(C)n1cnnc1-c1nc(NC(=O)c2cc3c(cc2F)CNCc2nc(C4CC4)cn2-3)cs1,50.0,7.301029995663981,478.55700000000024,4.040200000000002,2,9,102.55000000000001,5,1
CHEMBL5556784,CC(C)n1cnnc1-c1nc(NC(=O)c2cc3c(cc2F)C(=O)NCc2nc(C4CC4)cn2-3)cs1,50.0,7.301029995663981,492.54000000000025,3.6804000000000023,2,9,119.62,5,1
CHEMBL5556467,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2,2.2,8.657577319177793,453.5500000000002,4.495420000000004,0,7,81.73,5,1
CHEMBL5568074,CC(C)n1cnnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,1.83,8.73754891026957,439.52300000000025,4.187000000000003,0,7,81.73,5,1
CHEMBL5558421,CC(C)n1cnnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,2.71,8.567030709125595,437.5070000000003,4.288200000000003,0,8,83.42,5,1
CHEMBL5559945,COc1cc2ccn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,1.65,8.782516055786093,467.5330000000003,4.296800000000003,0,9,92.64999999999999,6,1
CHEMBL5559927,CC(C)n1cnnc1-c1cccc(N2CC(C)(C)c3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,5.91,8.228412519118745,467.5770000000002,4.922100000000005,0,7,81.73,5,1
CHEMBL5562668,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,0.93,9.031517051446064,425.4960000000002,4.144500000000003,0,7,81.73,5,1
CHEMBL5523506,CC(C)n1cnnc1-c1cccc(N2Cc3cc(-n4cnc(C5CC5)c4)ccc3C2=O)n1,1.78,8.749579997691106,425.4960000000002,4.144500000000003,0,7,81.73,5,1
CHEMBL5565439,CC(C)n1cnnc1-c1cccc(N2C(=O)c3ccc(-n4cnc(C5CC5)c4)cc3C2(C)C)n1,3.22,8.492144128304169,453.5500000000003,4.879600000000004,0,7,81.73,5,1
CHEMBL5559626,CC(C)n1nnnc1-c1cccc(N2C(=O)c3cc(-n4cnc(C5CC5)c4)ccc3C2(C)C)n1,5.09,8.293282217663242,454.53800000000024,4.274600000000003,0,8,94.62,5,1
CHEMBL5560406,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1,7380.0,5.131943638176958,413.4850000000002,4.236400000000002,1,7,90.52000000000001,6,0
CHEMBL5407513,Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c(=O)[nH]c21,2660.0,5.575118363368933,444.37700000000024,2.5210999999999997,2,8,123.38,4,0
CHEMBL5559907,[2H]c1cc(-c2nncn2C(C)C)nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)c1[2H],1.0,9.0,447.5142035560002,4.683920000000004,1,7,90.52,6,1
CHEMBL5559017,[2H]c1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)cc(C)c1-n1cnc(C2CC2)c1,1.1,8.958607314841775,446.5081017780002,4.683920000000003,1,7,90.52,6,1
CHEMBL5562336,[2H]C([2H])([2H])C(n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1)C([2H])([2H])[2H],1.1,8.958607314841775,451.5386106680002,4.683920000000003,1,7,90.52000000000001,8,1
CHEMBL5565908,[2H]C([2H])([2H])C([2H])(n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1)C([2H])([2H])[2H],1.0,9.0,452.54471244600023,4.683920000000003,1,7,90.52000000000001,8,1
CHEMBL5565383,O=C(Nc1nc2cccc(-c3ccoc3)n2n1)c1ccccc1,3000.0,5.522878745280337,304.309,3.241600000000001,1,5,72.43,3,0
CHEMBL5561076,COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5c(c4=O)CCC=C5)cc3)c2cc1OC,6.0,8.221848749616356,512.5660000000004,5.393600000000005,1,8,104.57000000000001,7,1
CHEMBL5561929,COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5c(c4=O)CCC=C5)cc3)c2cc1OC,6.0,8.221848749616356,511.5780000000004,5.998600000000006,1,7,91.67999999999999,7,1
CHEMBL3916717,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,3.0,8.522878745280337,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL5560145,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(-n3cnc(C4CC4)c3)c2)n1,5.0,8.301029995663981,413.4850000000002,4.236400000000002,1,7,90.52000000000001,6,1
CHEMBL5562442,Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,6.5,8.187086643357144,427.5120000000002,4.544820000000003,1,7,90.52,6,1
CHEMBL5559626,CC(C)n1nnnc1-c1cccc(N2C(=O)c3cc(-n4cnc(C5CC5)c4)ccc3C2(C)C)n1,3.9,8.4089353929735,454.53800000000024,4.274600000000003,0,8,94.62,5,1
CHEMBL5561877,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,3.9,8.4089353929735,439.52300000000014,4.452920000000003,0,7,81.73,5,1
CHEMBL5555240,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1,6.0,8.221848749616356,443.48600000000033,4.049220000000003,1,7,90.52,5,1
CHEMBL5562919,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1,18.0,7.7447274948966935,457.5130000000004,4.439320000000003,1,7,90.52,5,1
CHEMBL5560866,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)n2)cc1-n1cnc(C2CC2)c1,9.3,8.031517051446064,471.5400000000004,4.829420000000003,1,7,90.52,5,1
CHEMBL5555716,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCOC4)n2)cc1-n1cnc(C2CC2)c1,6.1,8.214670164989233,459.48500000000035,3.6332200000000023,1,8,99.75000000000001,5,1
CHEMBL5556894,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCNC4)n2)cc1-n1cnc(C2CC2)c1,47.8,7.320572103387881,458.5010000000003,3.206220000000001,2,8,102.55,5,1
CHEMBL5561406,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCS(=O)(=O)C4)n2)cc1-n1cnc(C2CC2)c1,10.0,8.0,507.5510000000004,3.0314200000000016,1,9,124.65999999999998,5,1
CHEMBL5567990,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4ccccn34)n2)cc1-n1cnc(C2CC2)c1,7.8,8.10790539730952,453.4810000000002,4.554220000000003,1,7,90.00000000000001,5,1
CHEMBL5564139,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4ncncn34)n2)cc1-n1cnc(C2CC2)c1,14.0,7.853871964321762,455.4570000000002,3.344220000000001,1,9,115.78000000000002,5,1
CHEMBL5532437,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4[nH]ccn34)n2)cc1-n1cnc(C2CC2)c1,6.7,8.173925197299173,442.4580000000002,3.8823200000000018,2,7,105.79,5,1
CHEMBL5517887,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4sccn34)n2)cc1-n1cnc(C2CC2)c1,4.1,8.387216143280265,459.5100000000002,4.615720000000002,1,8,90.00000000000001,5,1
CHEMBL5564118,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1,1.8,8.744727494896694,457.5130000000003,4.610220000000003,1,7,90.52,5,1
CHEMBL5560821,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1,5.0,8.301029995663981,457.5130000000003,4.610220000000003,1,7,90.52,5,1
CHEMBL5556635,CC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,1.9,8.721246399047171,471.54000000000025,5.000320000000004,1,7,90.52000000000001,6,1
CHEMBL5556343,CC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,5.0,8.301029995663981,471.54000000000025,5.000320000000004,1,7,90.52000000000001,6,1
CHEMBL5567956,CCC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,2.9,8.537602002101044,485.56700000000023,5.390420000000004,1,7,90.52000000000001,7,1
CHEMBL5549878,CCC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,6.6,8.18045606445813,485.56700000000023,5.390420000000004,1,7,90.52000000000001,7,1
CHEMBL5557520,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C(C)(C)CC4)n2)cc1-n1cnc(C2CC2)c1,1.0,9.0,471.54000000000036,4.784320000000004,1,7,90.52,5,1
CHEMBL5555289,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](CC#N)CC4)n2)cc1-n1cnc(C2CC2)c1,6.1,8.214670164989233,482.52300000000037,4.504000000000002,1,8,114.30999999999999,6,1
CHEMBL5562481,C=CC1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,4.1,8.387216143280265,469.5240000000002,4.776320000000003,1,7,90.52000000000001,6,1
CHEMBL5560015,C#CCC1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,3.6,8.443697499232712,481.53500000000025,4.613620000000003,1,7,90.52000000000001,6,1
CHEMBL5563823,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)C4)n2)cc1-n1cnc(C2CC2)c1,7.2,8.142667503568731,457.5130000000003,4.295220000000003,1,7,90.52,5,1
CHEMBL5563307,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)(C)C4)n2)cc1-n1cnc(C2CC2)c1,4.9,8.309803919971486,471.54000000000036,4.6853200000000035,1,7,90.52,5,1
CHEMBL5559162,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(CC3)C4)n2)cc1-n1cnc(C2CC2)c1,10.9,7.962573502059376,469.5240000000004,4.439320000000003,1,7,90.52,5,1
CHEMBL5565499,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C3CC3)C4)n2)cc1-n1cnc(C2CC2)c1,11.4,7.943095148663527,483.5510000000004,4.6853200000000035,1,7,90.52,6,1
CHEMBL5567699,CC(C)n1cnnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,1.14,8.943095148663527,438.49100000000027,4.757500000000005,0,8,91.63000000000001,5,1
CHEMBL5556181,CC(C)n1cnnc1-c1cccc(N2CCOc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,4.26,8.370590400897282,455.5220000000002,4.023300000000003,0,8,90.96000000000001,5,1
CHEMBL5560504,CC(C)n1cnnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,11.09,7.95506845385084,438.4950000000003,3.683200000000002,0,9,96.30999999999999,5,1
CHEMBL5563790,CC(C)n1cnnc1-c1cccc(-n2ncc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,0.9,9.045757490560675,438.4950000000003,3.683200000000002,0,9,96.30999999999999,5,1
CHEMBL5532500,CC(C)n1cnnc1-c1cccc(-c2cn(C)c3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,1.37,8.863279432843592,451.5340000000003,4.503000000000003,0,8,83.42,5,1
CHEMBL5542733,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cnnc2-3)cc1-n1cnc(C2CC2)c1,8.5,8.070581074285707,444.4700000000002,4.100420000000002,1,7,86.86,4,1
CHEMBL5559492,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2nncc2-3)cc1-n1cnc(C2CC2)c1,0.5,9.301029995663981,444.4700000000002,4.100420000000002,1,7,86.86,4,1
CHEMBL5558305,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2nnnc2-3)cc1-n1cnc(C2CC2)c1,6.6,8.18045606445813,445.4580000000002,3.495420000000002,1,8,99.74999999999999,4,1
CHEMBL5559120,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cncc2-3)cc1-n1cnc(C2CC2)c1,5.7,8.244125144327509,443.4820000000002,4.705420000000003,1,6,73.97,4,1
CHEMBL5560251,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.8,8.236572006437063,458.49700000000024,4.661420000000002,1,7,86.86,4,1
CHEMBL5563860,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,9.1,8.040958607678906,458.49700000000024,4.661420000000002,1,7,86.86,4,1
CHEMBL5555321,Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@H](C)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1,4.1,8.387216143280265,458.49700000000024,4.488920000000002,1,7,86.86,4,1
CHEMBL5568596,Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@@H](C)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1,2.5,8.602059991327963,458.49700000000024,4.488920000000002,1,7,86.86,4,1
CHEMBL5559764,Cc1cc(F)c(C(=O)Nc2cccc3c2OC2(CC2)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.3,8.275724130399212,470.50800000000027,4.633020000000002,1,7,86.86,4,1
CHEMBL5559703,Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,0.5,9.301029995663981,470.50800000000027,4.589520000000002,1,7,86.86,4,1
CHEMBL5559998,Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.6,8.2518119729938,472.5240000000002,4.8355200000000025,1,7,86.86,4,1
CHEMBL5565597,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C2CC2)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,11.7,7.931814138253839,484.5350000000003,5.051520000000003,1,7,86.86,5,1
CHEMBL5557861,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.2,8.2839966563652,474.49600000000027,3.633820000000002,2,8,107.08999999999999,5,1
CHEMBL5532459,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CF)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,3.1,8.508638306165727,476.48700000000025,4.611020000000003,1,7,86.86,5,1
CHEMBL5527956,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](CF)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,4.5,8.346787486224656,476.48700000000025,4.611020000000003,1,7,86.86,5,1
CHEMBL5562919,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1,5.6,8.2518119729938,457.5130000000004,4.439320000000003,1,7,90.52,5,1
CHEMBL5542246,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cc(C2CC2)nn1,943.0,6.0254883072626715,458.5010000000004,3.8343200000000017,1,8,103.41,5,1
CHEMBL5560126,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)n1,35.3,7.452225294612178,458.5010000000004,3.8343200000000017,1,8,103.41,5,1
CHEMBL5562218,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1nnc(C2CC2)n1,1000.0,6.0,459.4890000000004,3.2293200000000013,1,9,116.3,5,1
CHEMBL5562919,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1,100.0,7.0,457.5130000000004,4.439320000000003,1,7,90.52,5,1
CHEMBL5542246,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cc(C2CC2)nn1,100.0,7.0,458.5010000000004,3.8343200000000017,1,8,103.41,5,1
CHEMBL5560126,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)n1,100.0,7.0,458.5010000000004,3.8343200000000017,1,8,103.41,5,1
CHEMBL5562218,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1nnc(C2CC2)n1,100.0,7.0,459.4890000000004,3.2293200000000013,1,9,116.3,5,1
CHEMBL4514925,C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,4.0,8.397940008672037,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL5562956,C[C@H]1CCCOc2ncccc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,350.38200000000006,2.721000000000001,1,7,94.82,0,1
CHEMBL5556931,C[C@H]1CCCOc2ncc(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,427.46800000000013,3.7830000000000013,1,8,107.71000000000001,1,1
CHEMBL4514925,C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,73.0,7.136677139879544,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL5562956,C[C@H]1CCCOc2ncccc2C(=O)Nc2cccc(n2)-c2nncn21,1000.0,6.0,350.38200000000006,2.721000000000001,1,7,94.82,0,1
CHEMBL5556931,C[C@H]1CCCOc2ncc(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,427.46800000000013,3.7830000000000013,1,8,107.71000000000001,1,1
CHEMBL5542807,Cc1ccc(-n2ccn(-c3cccc(-c4nncn4C(C)C)n3)c2=O)c(F)c1,50.0,7.301029995663981,378.4110000000002,3.3101200000000013,0,7,70.53,4,1
CHEMBL5556885,C[C@H](CO)n1cnnc1-c1cccc(N2CCN(c3ccc(C(=O)N4CCCCC4)cn3)C2=O)n1,50.0,7.301029995663981,476.5410000000004,2.3611000000000004,1,8,120.58,6,1
CHEMBL5555200,CC(C)n1cnnc1-c1cccc(NC(=S)Nc2ccccn2)n1,50.0,7.301029995663981,339.4280000000001,3.1249000000000002,2,6,80.55,4,1
CHEMBL5561248,CC(C)n1cnnc1-c1cccc(C(=O)Nc2cc(-n3cnc(C4CC4)c3)ccn2)n1,0.7,9.154901959985743,414.4730000000002,3.631400000000002,1,8,103.41000000000001,6,1
CHEMBL5558642,Cc1ccc(-c2cnc(-c3cccc(-c4nncn4C(C)C)n3)s2)c(F)c1,50.0,7.301029995663981,379.4640000000001,5.159020000000003,0,6,56.49,4,1
CHEMBL5559867,Cc1ccc(-c2cnc(-c3cccc(-c4nncn4C(C)C)n3)o2)c(F)c1,50.0,7.301029995663981,363.39600000000013,4.690520000000003,0,6,69.63,4,1
CHEMBL4860819,COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,17.0,7.769551078621726,395.345,2.4578000000000007,1,8,99.75000000000001,5,1
CHEMBL4866921,COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1,58.0,7.236572006437063,459.3920000000001,2.700000000000001,1,10,125.53000000000002,6,1
CHEMBL5209503,C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@H]4OC(=O)C[C@@H](O)[C@]5(C)[C@@H]4[C@@]3(C)CC[C@H]5C(=C)C)[C@@H]12,369.96,6.431845229225867,484.67700000000036,5.771000000000006,2,4,83.83,3,1
CHEMBL5559902,C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@](C)([C@H](O)CC(=O)O)[C@H](C(=C)C)CC[C@]43C)[C@@H]12,407.01,6.390394920279776,502.69200000000035,5.2911000000000055,4,4,115.06000000000002,6,1
CHEMBL5560758,C=C(C)[C@@H]1CC[C@]2(C(=O)N(CCOCCOn3nnc4ccccc43)C(=O)OC(C)(C)C)CC[C@]3(C)[C@H](C[C@H]4OC(=O)C[C@@H](O)[C@]5(C)[C@@H]4[C@@]3(C)CC[C@H]5C(=C)C)[C@@H]12,2.02,8.694648630553376,789.0269999999999,7.34020000000001,1,11,142.31,10,1
CHEMBL5559854,C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)C(CC(=O)O)OC(C)(C)C5CC[C@]43C)[C@@H]12,448.57,6.3481697750466894,502.69200000000035,5.531500000000006,3,4,104.06,4,1
CHEMBL5565976,C=C(C)[C@@H]1CC[C@]2(C(=O)On3nnc4ccccc43)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)C(CC(=O)OCC)OC(C)(C)C5CC[C@]43C)[C@@H]12,5.08,8.29413628771608,647.8570000000002,6.325500000000007,1,9,112.77000000000001,6,1
CHEMBL5633185,Cn1cc(-c2cccc(NC(=O)c3cc4c(nc3O[C@H]3C[C@@H](O)C3)OC(C)(C)C4)n2)cn1,30000.0,4.522878745280337,435.4840000000002,2.745000000000001,2,8,111.39000000000001,5,0
CHEMBL4098877,C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1,428.0,6.368556230986828,379.46400000000006,3.5648000000000026,1,6,76.16000000000001,4,1
CHEMBL1673046,CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C,50000.0,4.301029995663981,474.5650000000002,3.9379000000000026,2,8,94.05999999999999,5,0
CHEMBL3414623,Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12,20000.0,4.698970004336019,574.7730000000006,5.526300000000005,1,6,67.53999999999999,10,0
CHEMBL466397,CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1,25000.0,4.6020599913279625,851.9809999999993,6.8580000000000085,2,12,146.53,12,0
CHEMBL1231206,Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1,60.0,7.221848749616356,374.4690000000001,4.363720000000003,2,5,66.91,1,1
CHEMBL1738757,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1,1000.0,6.0,553.5980000000003,6.048000000000005,3,7,123.06,6,1
CHEMBL2146883,O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1,10000.0,5.0,531.3160000000003,3.781100000000002,3,4,64.60000000000001,4,0
CHEMBL388978,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,18.1,7.7423214251308154,466.5410000000003,4.354000000000003,2,6,69.45,2,1
CHEMBL5835523,O=C1c2ccccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,317.3520000000001,2.835400000000001,0,5,63.910000000000004,3,1
CHEMBL5971669,CNC(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,374.4040000000001,2.1950000000000003,1,6,93.00999999999999,4,1
CHEMBL5971669,CNC(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,374.4040000000001,2.1950000000000003,1,6,93.00999999999999,4,1
CHEMBL6051978,COCCNC(=O)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,418.45700000000016,2.2116,1,7,102.24000000000001,7,1
CHEMBL5874784,O=C(NCCn1ccnc1)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,454.4940000000002,2.4619,1,8,110.83000000000001,7,1
CHEMBL5989196,O=C1c2ccc(C(=O)n3cccn3)cc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,411.4250000000002,2.7204000000000006,0,8,98.8,4,1
CHEMBL6039537,O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCOCC1,200.0,6.698970004336019,430.46800000000036,2.3078000000000003,0,7,93.45,4,1
CHEMBL5835921,O=C(NC1CC1)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,400.4420000000002,2.7276000000000007,1,6,93.00999999999999,5,1
CHEMBL6055429,O=C(NC1CCOCC1)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,444.49500000000023,2.744200000000001,1,7,102.24000000000001,5,1
CHEMBL5747584,CN1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,443.51100000000025,2.223,0,7,87.46000000000001,4,1
CHEMBL6036471,O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCCCC1,200.0,6.698970004336019,428.4960000000004,3.461500000000002,0,6,84.22,4,1
CHEMBL5922450,O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCC(O)CC1,200.0,6.698970004336019,444.49500000000035,2.4323000000000006,1,7,104.45,4,1
CHEMBL5869695,CC1(O)CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,458.52200000000033,2.822400000000001,1,7,104.45000000000002,4,1
CHEMBL5892002,COC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,458.52200000000033,3.086400000000001,0,7,93.44999999999999,5,1
CHEMBL5937679,CN(C)C1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,471.5650000000003,3.0016000000000016,0,7,87.46000000000001,5,1
CHEMBL5865699,CC(=O)N1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,471.5210000000003,2.1397000000000004,0,7,104.53000000000003,4,1
CHEMBL5910444,CC(=O)NC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,485.54800000000034,2.576100000000001,1,7,113.32000000000002,5,1
CHEMBL5986845,O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCCC1,200.0,6.698970004336019,414.46900000000034,3.0714000000000015,0,6,84.22,4,1
CHEMBL5991924,O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCC1,200.0,6.698970004336019,400.4420000000003,2.6813000000000002,0,6,84.22,4,1
CHEMBL5992654,O=C1CN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CCN1,200.0,6.698970004336019,443.4670000000002,1.4074,1,7,113.32000000000002,4,1
CHEMBL5871172,O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CC2CCC(C1)O2,200.0,6.698970004336019,456.50600000000037,2.838800000000001,0,7,93.45,4,1
CHEMBL5841500,CO[C@@H]1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)C1,200.0,6.698970004336019,444.4950000000003,2.696300000000001,0,7,93.44999999999999,5,1
CHEMBL5833258,COC(=O)C1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,486.5320000000003,2.8606000000000007,0,8,110.52000000000001,5,1
CHEMBL5918435,O=C(c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)N1CCSCC1,200.0,6.698970004336019,446.53600000000034,3.024400000000001,0,7,84.22,4,1
CHEMBL5835470,CSC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1,200.0,6.698970004336019,474.5900000000003,3.8030000000000026,0,7,84.22,5,1
CHEMBL6008706,O=C(c1cc2c(cc1Cl)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2)N1CCCCC1,200.0,6.698970004336019,462.9410000000004,4.114900000000003,0,6,84.22,4,1
CHEMBL5922466,Cn1ccc(-c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)n1,200.0,6.698970004336019,397.4420000000001,3.2359000000000018,0,7,81.73,4,1
CHEMBL5984806,O=C1c2ccc(-c3cc[nH]n3)cc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,383.41500000000013,3.225500000000001,1,6,92.59000000000002,4,1
CHEMBL5844842,Cn1nccc1-c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,397.4420000000002,3.2359000000000018,0,7,81.72999999999999,4,1
CHEMBL5809428,Cn1cnc(-c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)c1,200.0,6.698970004336019,397.4420000000001,3.2359000000000018,0,7,81.72999999999999,4,1
CHEMBL5817460,Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,332.3670000000002,2.4176,1,6,89.93,3,1
CHEMBL6037716,CC(=O)Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,600.0,6.221848749616356,374.4040000000001,2.793800000000001,1,6,93.00999999999999,4,1
CHEMBL6060329,O=C1c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2CN1c1cccc(-c2nncn2C2CC2)n1,600.0,6.221848749616356,476.54000000000025,4.505700000000004,1,6,93.01,6,1
CHEMBL5930592,CN(C)c1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,360.4210000000001,2.9014000000000015,0,6,67.15,4,1
CHEMBL5811199,CCNc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,200.0,6.698970004336019,360.4210000000001,3.2672000000000017,1,6,75.94,5,1
CHEMBL5812241,Cn1cncc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,397.4420000000002,3.2359000000000018,0,7,81.73,4,1
CHEMBL5867727,O=C1c2cc(-n3ccnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,383.4150000000002,3.0211000000000015,0,7,81.73,4,1
CHEMBL5799566,O=C1c2cc(-n3cnc4ccccc43)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,433.4750000000002,4.174300000000002,0,7,81.73,4,1
CHEMBL5964467,Cn1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)n1,200.0,6.698970004336019,397.4420000000002,3.2359000000000018,0,7,81.73,4,1
CHEMBL5773407,O=C1c2cc(-c3cccnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,394.43800000000016,3.897400000000003,0,6,76.80000000000001,4,1
CHEMBL5986425,Cc1ccncc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,408.4650000000002,4.205820000000003,0,6,76.80000000000001,4,1
CHEMBL5977068,Cc1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)cn1,200.0,6.698970004336019,408.4650000000002,4.205820000000004,0,6,76.80000000000001,4,1
CHEMBL5936841,O=C1c2cc(-c3cncnc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,395.42600000000016,3.2924000000000015,0,7,89.69000000000001,4,1
CHEMBL5895330,Cc1ncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)cn1,200.0,6.698970004336019,409.45300000000015,3.6008200000000015,0,7,89.69000000000001,4,1
CHEMBL5908691,COc1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)cn1,200.0,6.698970004336019,424.46400000000017,3.9060000000000024,0,7,86.03,5,1
CHEMBL5882539,O=C1c2cc(-c3ccc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,434.50300000000016,4.7748000000000035,0,6,76.80000000000001,5,1
CHEMBL5898034,O=C1c2cc(-c3cnn(C4CC4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,423.48000000000013,4.033800000000003,0,7,81.73,5,1
CHEMBL6004402,O=C1c2cc(-c3cnccc3F)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,412.42800000000017,4.036500000000003,0,6,76.80000000000001,4,1
CHEMBL5750818,O=C1c2cc(-c3cnccc3Cl)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,428.88300000000015,4.550800000000004,0,6,76.80000000000001,4,1
CHEMBL5997284,O=C1c2cc(-c3ccncc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,394.43800000000016,3.897400000000003,0,6,76.80000000000001,4,1
CHEMBL5910332,Cc1ncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)s1,200.0,6.698970004336019,414.49400000000014,4.2673200000000024,0,7,76.80000000000001,4,1
CHEMBL5832312,Cc1ncccc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,408.4650000000002,4.205820000000003,0,6,76.80000000000001,4,1
CHEMBL5895515,O=C1c2cc(-c3cccnc3F)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,412.4280000000001,4.036500000000003,0,6,76.80000000000001,4,1
CHEMBL5821527,Cc1cncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1,200.0,6.698970004336019,408.4650000000002,4.205820000000003,0,6,76.80000000000001,4,1
CHEMBL5754261,O=C1c2cc(-c3cncc(F)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,600.0,6.221848749616356,412.42800000000017,4.036500000000003,0,6,76.80000000000001,4,1
CHEMBL5850947,O=C1c2cc(-c3cnc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,435.49100000000016,4.169800000000003,0,7,89.69000000000001,5,1
CHEMBL5823323,Cn1ccnc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,397.4420000000002,3.2359000000000018,0,7,81.73,4,1
CHEMBL6059828,O=C1c2cc(-c3ccccn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,394.43800000000016,3.897400000000002,0,6,76.80000000000001,4,1
CHEMBL6012525,O=C1c2cc(-c3cccnn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,395.42600000000016,3.2924000000000015,0,7,89.69000000000001,4,1
CHEMBL5836643,O=C1c2cc(-c3cnc(C4CC4)cn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,435.49100000000016,4.169800000000002,0,7,89.69000000000001,5,1
CHEMBL5882539,O=C1c2cc(-c3ccc(C4CC4)nc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,434.50300000000016,4.7748000000000035,0,6,76.80000000000001,5,1
CHEMBL5946140,O=C1c2cc(-n3cc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,424.46800000000013,3.2935000000000016,0,8,94.62000000000002,5,1
CHEMBL6024941,O=C1c2cc(-c3cccnc3)c(F)cc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,412.4280000000001,4.036500000000003,0,6,76.80000000000001,4,1
CHEMBL5761415,Cc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,408.4650000000002,4.205820000000003,0,6,76.80000000000001,4,1
CHEMBL5985678,O=C1c2cc(-c3cccnc3)c(Cl)cc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,428.88300000000015,4.550800000000004,0,6,76.80000000000001,4,1
CHEMBL5975565,COc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,424.4640000000002,3.9060000000000024,0,7,86.03000000000002,5,1
CHEMBL5767049,CN(C)c1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,437.5070000000002,3.963400000000002,0,7,80.04,5,1
CHEMBL5748930,CC(C)Oc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,452.51800000000026,4.684600000000003,0,7,86.03000000000002,6,1
CHEMBL5787862,O=C1c2cc(-c3cccnc3)c(OC3CCCC3)cc2CN1c1cccc(-c2nncn2C2CC2)n1,200.0,6.698970004336019,478.5560000000002,5.218800000000004,0,7,86.03000000000002,6,1
CHEMBL5797676,COC(=O)c1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,452.4740000000002,3.684000000000002,0,8,103.10000000000001,5,1
CHEMBL5774118,O=C(c1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2)N1CCCC1,200.0,6.698970004336019,491.5550000000004,4.133400000000003,0,7,97.11000000000001,5,1
CHEMBL6063554,COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,375.38800000000015,2.6220000000000008,0,7,90.21000000000002,4,1
CHEMBL5802233,O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,200.0,6.698970004336019,361.3610000000001,2.5336000000000007,1,6,101.21,4,1
CHEMBL5821701,CN(C)C(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,600.0,6.221848749616356,388.43100000000015,2.5372000000000003,0,6,84.22000000000001,4,1
CHEMBL5879064,O=C(Nc1cc2c(cc1F)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O)C1CC1,600.0,6.221848749616356,418.4320000000002,3.323000000000002,1,6,93.00999999999999,5,1
CHEMBL5745536,O=C1c2ccccc2CN1c1cccc(-c2nnc3n2CCC3)n1,600.0,6.221848749616356,317.3520000000001,2.4467000000000008,0,5,63.910000000000004,2,1
CHEMBL5756861,O=C1c2ccccc2CN1c1cccc(C2N=Nc3cccn32)n1,5500.0,5.259637310505756,315.336,3.687700000000003,0,5,62.85,2,0
CHEMBL5817505,CC1CCc2nnc(-c3cccc(N4Cc5ccccc5C4=O)n3)n21,200.0,6.698970004336019,331.3790000000001,3.0077000000000016,0,5,63.910000000000004,2,1
CHEMBL6025935,O=C1c2ccccc2CN1c1cccc(-c2nnc3n2[C@@H](CO)CC3)n1,200.0,6.698970004336019,347.3780000000001,1.9801,1,6,84.14,3,1
CHEMBL5885014,C[C@H]1CCc2nnc(-c3cccc(N4Cc5ccccc5C4=O)n3)n21,600.0,6.221848749616356,331.3790000000001,3.0077000000000016,0,5,63.910000000000004,2,1
CHEMBL5778817,O=C1c2ccccc2CN1c1cccc(-c2nnc3n2[C@H](CO)CC3)n1,5500.0,5.259637310505756,347.3780000000001,1.9801,1,6,84.14,3,0
CHEMBL5773356,C[C@@H]1CCc2nnc(-c3cccc(N4Cc5ccccc5C4=O)n3)n21,200.0,6.698970004336019,331.3790000000001,3.0077000000000016,0,5,63.910000000000004,2,1
CHEMBL5749169,O=C1c2ccccc2CN1c1cccc(-n2nncc2C2CC2)n1,200.0,6.698970004336019,317.3520000000001,2.700100000000001,0,5,63.910000000000004,3,1
CHEMBL5956684,O=C1c2ccccc2CN1c1cccc(-n2ccnn2)n1,600.0,6.221848749616356,277.287,1.8226999999999995,0,5,63.910000000000004,2,1
CHEMBL5846718,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccnc4)cc3C2=O)n1,200.0,6.698970004336019,396.4540000000001,4.143400000000003,0,6,76.80000000000001,4,1
CHEMBL6021404,O=C1c2ccccc2CN1c1nccc(-c2nncn2C2CC2)n1,5500.0,5.259637310505756,318.3400000000001,2.2303999999999995,0,6,76.80000000000001,3,0
CHEMBL5872089,O=c1c2ccccc2n(C2CCCCO2)n1-c1cccc(-c2nncn2C2CC2)n1,5500.0,5.259637310505756,402.4580000000001,3.479700000000002,0,8,79.76,4,0
CHEMBL5918093,Cn1c2ccccc2c(=O)n1-c1cccc(-c2nncn2C2CC2)n1,5500.0,5.259637310505756,332.3670000000001,2.3175999999999997,0,7,70.53,3,0
CHEMBL5984280,O=c1c2ccccc2sn1-c1cccc(-c2nncn2C2CC2)n1,5500.0,5.259637310505756,335.3920000000001,3.0406000000000013,0,7,65.6,3,0
CHEMBL5785471,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3nccnc3c2)n1,550.0,6.259637310505756,359.3930000000001,3.116500000000001,1,7,98.48,4,1
CHEMBL5999203,COc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCOCC1,550.0,6.259637310505756,474.5250000000003,2.9617000000000013,1,10,120.18,6,1
CHEMBL5870770,COc1nc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCCCC1,55.0,7.259637310505756,490.54300000000035,4.254500000000003,1,9,110.95,6,1
CHEMBL5820360,CC(C)Nc1nc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)ccc2nc1OC(C)C,55.0,7.259637310505756,474.5690000000002,4.724000000000004,2,9,119.74,8,1
CHEMBL5828162,COc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCCCC1,550.0,6.259637310505756,472.55300000000034,4.115400000000003,1,9,110.95,6,1
CHEMBL6003965,CC(C)Oc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCCCC1,1000.0,6.0,500.60700000000037,4.894000000000005,1,9,110.95,7,1
CHEMBL5775190,CC(C)Oc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCOCC1,550.0,6.259637310505756,502.57900000000035,3.740300000000002,1,10,120.18,7,1
CHEMBL5941751,COc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1NC(C)C,550.0,6.259637310505756,446.51500000000016,3.945400000000003,2,9,119.74000000000001,7,1
CHEMBL5795798,CC(C)Oc1nc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2nc1N(C)C(C)C,1000.0,6.0,507.57400000000024,4.2824000000000035,1,10,123.83999999999999,8,1
CHEMBL5900080,CC(C)Oc1nc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2nc1OC(C)C,1000.0,6.0,494.53100000000023,4.225000000000004,1,10,129.82999999999998,8,1
CHEMBL5851502,CC(C)Oc1nc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1OC(C)C,550.0,6.259637310505756,493.54300000000023,4.830000000000004,1,9,116.94000000000001,8,1
CHEMBL5818758,CC(C)CN(C)c1nc2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2nc1OC(C)C,1000.0,6.0,521.6010000000002,4.530000000000003,1,10,123.84000000000002,9,1
CHEMBL5881417,CC(C)CN(C)c1nc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c(F)cc2nc1OC(C)C,550.0,6.259637310505756,520.6130000000002,5.135000000000004,1,9,110.95,9,1
CHEMBL5960920,CC(C)Nc1nc2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2nc1OC(C)C,1000.0,6.0,493.5470000000002,4.258100000000003,2,10,132.63,8,1
CHEMBL6020598,CC(C)Nc1nc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c(F)cc2nc1OC(C)C,55.0,7.259637310505756,492.5590000000002,4.863100000000004,2,9,119.74,8,1
CHEMBL5900835,COc1nc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2nc1N1CCCCC1,550.0,6.259637310505756,491.53100000000035,3.6495000000000024,1,10,123.83999999999999,6,1
CHEMBL5809212,CC(C)Nc1nc2cc(C(=O)Nc3cccc(-c4nnnn4[C@@H](C)CO)n3)c(F)cc2nc1OC(C)C,1000.0,6.0,509.5460000000002,3.230500000000001,3,11,152.85999999999999,9,1
CHEMBL5931660,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3cn2)n1,5.5,8.259637310505756,358.4050000000001,3.7215000000000025,1,6,85.59,4,1
CHEMBL6057920,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(Br)ccc3cn2)n1,5.5,8.259637310505756,437.3010000000001,4.4840000000000035,1,6,85.59,4,1
CHEMBL5998150,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3cc(Br)ccc3cn2)n1,1000.0,6.0,438.2890000000001,3.8790000000000022,1,7,98.48,4,1
CHEMBL5829602,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(N4CCCCC4)ccc3cn2)n1,5.5,8.259637310505756,441.5390000000003,4.711800000000004,1,7,88.83,5,1
CHEMBL5817216,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(-n4cnc(C5CC5)c4)ccc3cn2)n1,5.5,8.259637310505756,464.53300000000024,4.784600000000003,1,8,103.41000000000001,6,1
CHEMBL6009353,CCn1nccc1-c1ccc2cnc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2c1,55.0,7.259637310505756,452.52200000000016,4.604900000000003,1,8,103.41000000000001,6,1
CHEMBL5872431,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CCOCC4)nc3c2)n1,550.0,6.259637310505756,443.5110000000003,3.5581000000000023,1,8,98.06,5,1
CHEMBL5889284,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N(C)C)nc3c2)n1,1000.0,6.0,401.47400000000016,3.7875000000000023,1,7,88.83,5,1
CHEMBL5947974,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CCCCC4)nc3c2)n1,55.0,7.259637310505756,441.5390000000003,4.711800000000004,1,7,88.83,5,1
CHEMBL5844072,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CCN(C(C)(C)C)CC4)nc3c2)n1,1000.0,6.0,498.6350000000004,4.642000000000004,1,8,92.07000000000001,5,1
CHEMBL5958702,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(NC4CCCCC4)nc3c2)n1,1000.0,6.0,455.5660000000003,5.466100000000004,2,7,97.62,6,1
CHEMBL6001549,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CC5(COC5)C4)nc3c2)n1,1000.0,6.0,455.52200000000033,3.5581000000000023,1,8,98.06,5,1
CHEMBL5935817,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CC5CCC(C4)O5)nc3c2)n1,550.0,6.259637310505756,469.5490000000003,4.089100000000003,1,8,98.06,5,1
CHEMBL5913283,CCN(Cc1ccccc1)c1ccc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2n1,1000.0,6.0,491.59900000000016,5.7480000000000055,1,7,88.83,8,1
CHEMBL5776474,COCCC[C@@H]1CCCN1c1ccc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2n1,55.0,7.259637310505756,499.6190000000002,5.116900000000005,1,8,98.06,9,1
CHEMBL5926169,COCCNc1ccc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2n1,55.0,7.259637310505756,431.50000000000017,3.7798000000000025,2,8,106.85,8,1
CHEMBL5936586,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(Cl)nc3c2)n1,550.0,6.259637310505756,392.8500000000001,4.374900000000003,1,6,85.59,4,1
CHEMBL5965029,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cccnc3c2)n1,1000.0,6.0,358.4050000000001,3.7215000000000016,1,6,85.59,4,1
CHEMBL5808285,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cc(Br)cnc3c2)n1,550.0,6.259637310505756,437.3010000000001,4.4840000000000035,1,6,85.59,4,1
CHEMBL5917689,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cc(-c4ccc(C(C)(C)C)cc4)cnc3c2)n1,1000.0,6.0,490.6110000000003,6.686000000000006,1,6,85.59,5,1
CHEMBL5996851,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cc(N4CCOCC4)cnc3c2)n1,55.0,7.259637310505756,443.5110000000003,3.5581000000000023,1,8,98.06,5,1
CHEMBL5978858,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2)n1,550.0,6.259637310505756,357.4170000000001,4.326500000000004,1,5,72.7,4,1
CHEMBL6031090,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1,550.0,6.259637310505756,375.4070000000001,4.465600000000003,1,5,72.7,4,1
CHEMBL5884489,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1,1000.0,6.0,376.3950000000001,3.8606000000000025,1,6,85.59,4,1
CHEMBL3908126,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(C(F)F)C2)cn1,2.2,8.657577319177793,523.5730000000002,4.148200000000003,1,10,106.64999999999999,8,1
CHEMBL3975211,N#CC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,0.9,9.045757490560675,498.5760000000003,3.4066800000000024,1,11,130.44,7,1
CHEMBL3935565,CC1(C#N)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1.9,8.721246399047171,512.6030000000003,3.7967800000000027,1,11,130.44,7,1
CHEMBL3905950,COC1(C)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1.8,8.744727494896694,517.6190000000003,3.6720000000000024,1,11,115.87999999999998,8,1
CHEMBL3957940,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(F)(F)C2)cn1,2.8,8.55284196865778,509.5460000000003,3.9022000000000023,1,10,106.64999999999999,7,1
CHEMBL3895494,COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,2.8,8.55284196865778,517.6190000000003,3.6720000000000024,1,11,115.87999999999998,8,1
CHEMBL3924518,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(C(F)(F)F)CC2)cn1,3.2,8.494850021680094,569.6170000000001,5.2256000000000045,1,10,106.64999999999999,7,1
CHEMBL3920406,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(F)CC2)cn1,2.5,8.602059991327963,519.6100000000004,4.385200000000004,1,10,106.64999999999999,7,1
CHEMBL3898363,N#CC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,2.2,8.657577319177793,526.6300000000002,4.186880000000003,1,11,130.44,7,1
CHEMBL3943452,COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,3.2,8.494850021680094,531.6460000000002,4.062100000000004,1,11,115.87999999999998,8,1
CHEMBL3969572,CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,0.4,9.397940008672037,558.6720000000001,3.4093000000000018,2,11,135.75,8,1
CHEMBL3981380,COC1(C)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,14.2,7.847711655616943,545.6730000000002,4.452200000000004,1,11,115.87999999999998,8,1
CHEMBL3953443,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN(CC(F)(F)F)CC2)cn1,2.9,8.537602002101044,584.6320000000002,4.131200000000003,1,11,109.88999999999999,8,1
CHEMBL3893943,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCOCC2)cn1,3.8,8.42021640338319,517.6190000000004,3.673600000000002,1,11,115.88,7,1
CHEMBL3964706,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN3CCCC3C2)cn1,2.7,8.568636235841012,542.6730000000003,3.7313000000000027,1,11,109.88999999999999,7,1
CHEMBL3963748,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN3C(=O)OCC3C2)cn1,2.7,8.568636235841012,558.6280000000003,3.0877000000000017,1,12,136.19,7,1
CHEMBL3922577,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC3CC3C2)cn1,1.1,8.958607314841775,499.6040000000003,3.9030000000000022,1,10,106.64999999999999,7,1
CHEMBL3986247,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(N3CCOCC3)C2)cn1,2.3,8.638272163982407,558.6720000000003,2.9677000000000007,1,12,119.11999999999999,8,1
CHEMBL3954180,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN(C3CC3)CC2)cn1,2.8,8.55284196865778,542.6730000000003,3.7313000000000027,1,11,109.88999999999999,8,1
CHEMBL3978053,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN(CC3CC3)CC2)cn1,2.5,8.602059991327963,556.7000000000003,3.978900000000003,1,11,109.88999999999999,9,1
CHEMBL3948895,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC3(CC2)COC3)cn1,1.9,8.721246399047171,543.6570000000004,4.0637000000000025,1,11,115.88,7,1
CHEMBL3973753,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC3(CCOCC3)C2)cn1,4.5,8.346787486224656,543.6570000000004,4.0637000000000025,1,11,115.88,7,1
CHEMBL3946920,COCC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1,2.0,8.698970004336019,573.605,4.317900000000003,1,11,115.87999999999998,9,1
CHEMBL3893968,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(C#N)C3)cn2)cs1)C(F)(F)F,1.4,8.853871964321762,568.5890000000005,4.585180000000004,1,11,130.44,7,1
CHEMBL3953748,COC1(C)CN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1,2.0,8.698970004336019,573.605,4.4604000000000035,1,11,115.87999999999998,8,1
CHEMBL3930015,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C(F)F)C3)cn2)cs1)C(F)(F)F,1.7,8.769551078621726,579.5590000000004,4.936600000000004,1,10,106.64999999999999,8,1
CHEMBL3961734,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)(F)C3)cn2)cs1)C(F)(F)F,2.1,8.67778070526608,579.5590000000004,5.080700000000004,1,10,106.64999999999999,7,1
CHEMBL3909615,COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1,1.9,8.721246399047171,573.605,4.4604000000000035,1,11,115.87999999999998,8,1
CHEMBL3917308,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C#N)CC3)cn2)cs1)C(F)(F)F,1.7,8.769551078621726,582.6160000000004,4.975280000000004,1,11,130.44,7,1
CHEMBL3904498,COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1,2.3,8.638272163982407,587.632,4.850500000000005,1,11,115.87999999999998,8,1
CHEMBL3908356,CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1,2.3,8.638272163982407,614.6579999999998,4.197700000000003,2,11,135.75,8,1
CHEMBL3976987,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C(F)(F)F)CC3)cn2)cs1)C(F)(F)F,1.5,8.823908740944319,625.6030000000005,6.014000000000005,1,10,106.64999999999999,7,1
CHEMBL3902880,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(CC(F)(F)F)CC3)cn2)cs1)C(F)(F)F,1.2,8.920818753952375,640.6180000000005,4.919600000000004,1,11,109.88999999999999,8,1
CHEMBL3962884,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)CC3)cn2)cs1)C(F)(F)F,1.7,8.769551078621726,575.5960000000005,5.173600000000005,1,10,106.64999999999999,7,1
CHEMBL3893936,COC1(C)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1,2.2,8.657577319177793,601.6589999999999,5.240600000000005,1,11,115.87999999999998,8,1
CHEMBL3954144,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCOCC3)cn2)cs1)C(F)(F)F,1.9,8.721246399047171,573.6050000000006,4.462000000000004,1,11,115.88,7,1
CHEMBL5876961,C[C@H](n1cnnc1-c1nc(N(C(=O)c2ccccn2)N2CC3CCCN3C(n3cnc(C4CC4)c3)C2)cs1)C(F)(F)F,1.8,8.744727494896694,598.6590000000004,4.534400000000004,0,11,101.10000000000001,7,1
CHEMBL3899813,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC4CN(C)CC4C3)cn2)cs1)C(F)(F)F,2.4,8.619788758288394,598.6590000000004,4.233100000000004,1,11,109.88999999999999,7,1
CHEMBL3926976,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN4C(=O)OCC4C3)cn2)cs1)C(F)(F)F,2.3,8.638272163982407,614.6140000000006,3.8761000000000028,1,12,136.19,7,1
CHEMBL3953359,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC4CC4C3)cn2)cs1)C(F)(F)F,2.2,8.657577319177793,555.5900000000005,4.691400000000004,1,10,106.64999999999999,7,1
CHEMBL3924482,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(N4CCOCC4)C3)cn2)cs1)C(F)(F)F,1.9,8.721246399047171,614.6580000000006,3.7561000000000027,1,12,119.11999999999999,8,1
CHEMBL3925596,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C4CC4)CC3)cn2)cs1)C(F)(F)F,1.8,8.744727494896694,598.6590000000006,4.519700000000005,1,11,109.88999999999999,8,1
CHEMBL3897512,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(CC4CC4)CC3)cn2)cs1)C(F)(F)F,1.8,8.744727494896694,612.6860000000006,4.767300000000005,1,11,109.88999999999999,9,1
CHEMBL3961404,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC4(CC3)COC4)cn2)cs1)C(F)(F)F,2.1,8.67778070526608,599.6430000000006,4.8521000000000045,1,11,115.88,7,1
CHEMBL3903012,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC4(CCOCC4)C3)cn2)cs1)C(F)(F)F,2.6,8.585026652029182,599.6430000000006,4.8521000000000045,1,11,115.88,7,1
CHEMBL3683259,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1,1.44,8.84163750790475,503.5920000000004,3.283500000000002,1,11,115.88,7,1
CHEMBL3683260,CC1(O)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1.58,8.801342913045577,503.5920000000003,3.017900000000002,2,11,126.87999999999998,7,1
CHEMBL5981231,CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)cs1)C(F)(F)F,2.62,8.581698708680255,559.5780000000005,4.071900000000004,1,11,115.88,7,1
CHEMBL6014751,CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(O)C3)cn2)cs1)C(F)(F)F,1.69,8.772113295386326,559.5780000000004,3.806300000000003,2,11,126.88,7,1
CHEMBL5986475,CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N(C)C)cn2)cs1)C(F)(F)F,1.88,8.72584215073632,517.5410000000003,4.301300000000003,1,10,106.64999999999999,7,1
CHEMBL3683258,CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,6.3,8.200659450546418,452.51400000000024,4.179900000000003,2,6,69.45,2,1
CHEMBL3683264,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC2)cn1,2.4,8.619788758288394,473.5660000000003,3.657000000000002,1,10,106.64999999999999,7,1
CHEMBL5844801,CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC3)cn2)cs1)C(F)(F)F,1.7,8.769551078621726,529.5520000000004,4.445400000000004,1,10,106.64999999999999,7,1
CHEMBL6065657,CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)cs1)C(F)(F)F,2.2,8.657577319177793,543.5790000000004,4.835500000000004,1,10,106.64999999999999,7,1
CHEMBL3683267,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCC2)cn1,1.9,8.721246399047171,487.59300000000036,4.047100000000003,1,10,106.64999999999999,7,1
CHEMBL3683268,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(O)C2)cn1,3.0,8.522878745280337,503.5920000000003,3.017900000000001,2,11,126.88,7,1
CHEMBL3683269,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(O)C3)cn2)cs1)C(F)(F)F,2.2,8.657577319177793,559.5780000000004,3.806300000000003,2,11,126.88,7,1
CHEMBL3639821,O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCCC2)cn1,2.0,8.698970004336019,501.6200000000004,4.437200000000003,1,10,106.64999999999999,7,1
CHEMBL3683270,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F,0.7,9.154901959985743,557.6060000000006,5.225600000000005,1,10,106.64999999999999,7,1
CHEMBL3687971,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C)(O)CC3)cn2)cs1)C(F)(F)F,1.8,8.744727494896694,587.6320000000005,4.586500000000004,2,11,126.88,7,1
CHEMBL3687972,CC1(O)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,2.5,8.602059991327963,531.6460000000002,3.7981000000000025,2,11,126.87999999999998,7,1
CHEMBL3687973,C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)cs1)C(F)(F)F,2.1,8.67778070526608,572.6210000000005,3.9871000000000034,1,11,109.88999999999999,7,1
CHEMBL3687974,CN1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,3.1,8.508638306165727,516.6350000000002,3.1987000000000014,1,11,109.89,7,1
CHEMBL5910458,CC(C)N1Cc2ccc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1=O,550.0,6.259637310505756,405.46200000000016,2.932500000000001,1,7,105.9,5,1
CHEMBL6023845,CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)n1,1000.0,6.0,483.5320000000003,4.220700000000003,1,8,115.13,6,1
CHEMBL6020654,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)n1,55.0,7.259637310505756,482.5440000000003,4.825700000000004,1,7,102.24000000000001,6,1
CHEMBL6013734,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(S(=O)(=O)CCC(F)(F)F)C3)n1,550.0,6.259637310505756,508.5260000000003,3.7711000000000023,1,7,110.08,7,1
CHEMBL5807789,CCN(C)C(=O)N1Cc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,550.0,6.259637310505756,433.5160000000002,3.5606000000000027,1,6,96.25000000000001,5,1
CHEMBL5978702,COCCS(=O)(=O)N1Cc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,550.0,6.259637310505756,470.55500000000023,2.4650999999999996,1,8,119.31000000000002,8,1
CHEMBL5902772,CCOC(=O)N1Cc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,550.0,6.259637310505756,420.4730000000002,3.645400000000002,1,7,102.24,5,1
CHEMBL5969794,CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)CNC3)n1,1000.0,6.0,349.39800000000014,2.1715,2,7,97.62,4,1
CHEMBL5824756,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CNC3)n1,1000.0,6.0,348.41000000000014,2.7765000000000004,2,6,84.73,4,1
CHEMBL5844723,CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(S(=O)(=O)N(C)C)C3)n1,1000.0,6.0,456.53200000000027,1.6902999999999997,1,8,126.20999999999998,6,1
CHEMBL5782122,CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)N2CCCC2)C3)n1,550.0,6.259637310505756,446.5150000000004,3.0997000000000012,1,7,109.13999999999999,4,1
CHEMBL5925335,CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)N(C)C)C3)n1,550.0,6.259637310505756,420.47700000000026,2.565500000000001,1,7,109.13999999999999,4,1
CHEMBL5922598,CCN(C)C(=O)N1Cc2ccc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,1000.0,6.0,434.5040000000002,2.9556000000000013,1,7,109.14,5,1
CHEMBL5929756,CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(S(=O)(=O)CCC(F)(F)F)C3)n1,1000.0,6.0,509.5140000000003,3.166100000000002,1,8,122.96999999999998,7,1
CHEMBL5875932,COCCS(=O)(=O)N1Cc2ccc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,1000.0,6.0,471.54300000000023,1.8600999999999988,1,9,132.2,8,1
CHEMBL5993772,CCOC(=O)N1Cc2ccc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,1000.0,6.0,421.4610000000002,3.0404000000000018,1,8,115.13000000000001,5,1
CHEMBL5910319,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)N2CCCC2)C3)n1,55.0,7.259637310505756,445.5270000000004,3.7047000000000025,1,6,96.25,4,1
CHEMBL5743687,CC(C)N1Cc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1=O,55.0,7.259637310505756,422.4490000000002,1.2998999999999994,2,9,139.02,6,1
CHEMBL5859947,CC(C)N1Cc2cnc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1=O,55.0,7.259637310505756,405.46200000000016,2.932500000000001,1,7,105.9,5,1
CHEMBL5883012,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)NC2CC2)C3)n1,5.5,8.259637310505756,499.57200000000034,2.667300000000001,2,7,122.11,7,1
CHEMBL5977911,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)C2CCCC2)C3)n1,5.5,8.259637310505756,512.6110000000004,3.9429000000000034,1,7,110.08,6,1
CHEMBL6022403,CCNS(=O)(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,487.56100000000015,2.524800000000001,2,7,122.11,7,1
CHEMBL5917564,COCCS(=O)(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,502.5720000000002,2.646700000000001,1,8,119.31000000000002,8,1
CHEMBL5762633,COCCC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,466.51700000000017,3.233600000000002,1,7,102.24,7,1
CHEMBL5898388,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OC2CCCC2)C3)n1,5.5,8.259637310505756,492.55500000000046,4.749700000000003,1,7,102.24000000000001,5,1
CHEMBL5967001,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,452.4900000000002,3.8270000000000026,1,7,102.24,5,1
CHEMBL6045666,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1,55.0,7.259637310505756,380.4270000000002,2.958100000000001,2,6,84.73,4,1
CHEMBL5770472,COCCC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,55.0,7.259637310505756,467.50500000000017,2.6286000000000005,1,8,115.13000000000001,7,1
CHEMBL5805814,CCNC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,452.4940000000002,2.795000000000001,2,7,117.93000000000002,5,1
CHEMBL6014291,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,55.0,7.259637310505756,453.4780000000002,3.2220000000000013,1,8,115.13000000000001,5,1
CHEMBL6055751,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OCc2ccccc2)C3)n1,55.0,7.259637310505756,515.5490000000003,4.402300000000003,1,8,115.13,6,1
CHEMBL5805244,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)c2nccs2)CC3)n1,55.0,7.259637310505756,473.5620000000003,3.8283000000000023,1,8,105.9,5,1
CHEMBL5785115,C=CCNC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,445.5270000000002,3.4270000000000023,2,6,105.04,6,1
CHEMBL5979835,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC2CCCC2)CC3)n1,55.0,7.259637310505756,474.56500000000045,4.610600000000003,1,7,102.24000000000001,5,1
CHEMBL5859082,CCCOC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,448.5270000000002,4.078000000000003,1,7,102.24,6,1
CHEMBL5773102,CCOC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,434.5000000000002,3.6879000000000026,1,7,102.24,5,1
CHEMBL5869970,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CNCC3)n1,550.0,6.259637310505756,362.4370000000002,2.819000000000001,2,6,84.73,4,1
CHEMBL5937499,COCCCN1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,550.0,6.259637310505756,434.5440000000002,3.5679000000000025,1,7,85.17,8,1
CHEMBL5894906,C=CCN1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,550.0,6.259637310505756,402.5020000000001,3.7174000000000023,1,6,75.94,6,1
CHEMBL5985744,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,55.0,7.259637310505756,541.5310000000002,3.3477000000000023,1,8,122.96999999999998,7,1
CHEMBL5975701,CCN(CC)C(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,479.5600000000002,4.1323000000000025,1,6,96.25000000000001,6,1
CHEMBL5936429,CC(C)CS(=O)(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,500.6000000000002,3.6563000000000025,1,7,110.08,7,1
CHEMBL5914202,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CC2CC2)C3)n1,55.0,7.259637310505756,498.5840000000004,3.410300000000002,1,7,110.08,7,1
CHEMBL6035210,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCCC2)C3)n1,5.5,8.259637310505756,477.54400000000044,3.886300000000003,1,6,96.25,4,1
CHEMBL5891265,CCN(C)C(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,465.5330000000002,3.742200000000003,1,6,96.25000000000001,5,1
CHEMBL5930541,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,5.5,8.259637310505756,540.5430000000002,3.9527000000000028,1,7,110.08,7,1
CHEMBL5810605,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)C2CC2)C3)n1,5.5,8.259637310505756,484.55700000000036,3.162700000000002,1,7,110.08,6,1
CHEMBL5852761,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)C)C3)n1,5.5,8.259637310505756,451.5060000000003,3.352100000000002,1,6,96.25,4,1
CHEMBL5820965,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)N(C)C)C3)n1,5.5,8.259637310505756,487.5610000000003,2.4769000000000005,1,7,113.32,6,1
CHEMBL5943363,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCOCC2)C3)n1,55.0,7.259637310505756,493.54300000000046,3.122700000000002,1,7,105.48,4,1
CHEMBL5837710,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)NC2CCCC2)C3)n1,5.5,8.259637310505756,491.5710000000004,4.322700000000004,2,6,105.04,5,1
CHEMBL5823696,CCNC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,451.5060000000002,3.400000000000002,2,6,105.04,5,1
CHEMBL6021444,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OCc2ccccc2)C3)n1,55.0,7.259637310505756,514.5610000000004,5.007300000000004,1,7,102.24000000000001,6,1
CHEMBL5751636,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ccccc2)C3)n1,55.0,7.259637310505756,457.51300000000026,4.270100000000003,1,7,88.83,5,1
CHEMBL5814316,COCCS(=O)(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,55.0,7.259637310505756,503.5600000000002,2.0416999999999987,1,9,132.2,8,1
CHEMBL5820402,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)NC2CCCC2)C3)n1,55.0,7.259637310505756,492.5590000000004,3.7177000000000024,2,7,117.92999999999999,5,1
CHEMBL6047994,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OC2CCCC2)C3)n1,55.0,7.259637310505756,493.54300000000046,4.144700000000004,1,8,115.13,5,1
CHEMBL5944660,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1,550.0,6.259637310505756,381.4150000000002,2.3531000000000004,2,7,97.62,4,1
CHEMBL5956008,C=CCOC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,446.5110000000002,3.8540000000000028,1,7,102.24,6,1
CHEMBL5804357,COCCC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,448.5270000000002,3.094500000000001,1,7,102.24,7,1
CHEMBL6058333,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)NC2CCCC2)CC3)n1,55.0,7.259637310505756,473.5810000000004,4.183600000000003,2,6,105.04,5,1
CHEMBL5910258,CCCCNC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,461.57000000000016,4.041100000000003,2,6,105.04,7,1
CHEMBL5867637,CCNC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.5,8.259637310505756,433.5160000000002,3.260900000000002,2,6,105.04,5,1
CHEMBL6059789,C=CCCOC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,460.5380000000002,4.244100000000003,1,7,102.24,7,1
CHEMBL5914168,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)OCCF)CC3)n1,55.0,7.259637310505756,452.49000000000035,3.637500000000003,1,7,102.24000000000001,6,1
CHEMBL6045712,CC(C)COC(=O)N1CCc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,462.5540000000002,4.324000000000003,1,7,102.24,6,1
CHEMBL5953914,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)n1,55.0,7.259637310505756,496.57100000000037,4.868200000000003,1,7,102.24000000000001,6,1
CHEMBL5931865,CC1NCCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc21,550.0,6.259637310505756,395.4420000000001,2.9141000000000012,2,7,97.61999999999999,4,1
CHEMBL5824677,CC1c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2CCN1C(=O)N1CCCC1,55.0,7.259637310505756,492.5590000000004,3.8423000000000025,1,7,109.14,4,1
CHEMBL5950307,CC1c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2CCN1S(=O)(=O)CCC(F)(F)F,55.0,7.259637310505756,555.5580000000004,3.908700000000003,1,8,122.97,7,1
CHEMBL5838200,CC(C)c1nnnn1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1,1000.0,6.0,381.4150000000002,2.2177999999999995,2,7,97.62,4,1
CHEMBL5805282,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)CC(F)(F)F)C3)n1,1000.0,6.0,578.5270000000004,3.222800000000002,1,9,135.44,7,1
CHEMBL5984821,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCCC2)C3)n1,1000.0,6.0,536.5680000000004,2.8245000000000013,1,9,135.44,6,1
CHEMBL6053736,CC1c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2CCN1C(=O)OCc1ccccc1,550.0,6.259637310505756,529.5760000000004,4.963300000000005,1,8,115.13000000000001,6,1
CHEMBL5963324,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)CC(F)(F)F)C3)n1,55.0,7.259637310505756,536.4900000000002,2.652000000000001,2,8,129.37,6,1
CHEMBL5754121,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCCC2)C3)n1,5.5,8.259637310505756,494.53100000000046,2.2537000000000003,2,8,129.37,5,1
CHEMBL5763056,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)CC(F)(F)F)C3)n1,55.0,7.259637310505756,520.4910000000003,3.6796000000000024,1,7,109.13999999999999,5,1
CHEMBL5952710,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)C2CCCC2)C3)n1,55.0,7.259637310505756,506.58600000000047,4.059900000000003,1,7,109.13999999999999,5,1
CHEMBL5761022,CC(C)CN(C)C(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,55.0,7.259637310505756,494.57500000000016,3.7733000000000025,1,7,109.14,6,1
CHEMBL5961482,CC(C)N(C)C(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,55.0,7.259637310505756,480.5480000000002,3.5257000000000023,1,7,109.14,5,1
CHEMBL5755488,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCNC3)n1,1000.0,6.0,439.4510000000003,1.8962999999999997,2,9,123.92,6,1
CHEMBL5757292,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,5.5,8.259637310505756,557.5300000000002,2.3201,2,9,143.2,8,1
CHEMBL6028616,CC(C)c1nnnn1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OCc2ccccc2)C3)n1,1000.0,6.0,515.5490000000003,4.267000000000003,1,8,115.13,6,1
CHEMBL5813485,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,1000.0,6.0,599.5670000000005,2.890900000000001,1,10,149.26999999999998,9,1
CHEMBL5977706,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)C2CCCC2)C3)n1,55.0,7.259637310505756,513.5990000000004,3.337900000000002,1,8,122.96999999999998,6,1
CHEMBL5857072,CC(C)CS(=O)(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,55.0,7.259637310505756,501.5880000000002,3.0513000000000012,1,8,122.97000000000001,7,1
CHEMBL5857510,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CC2CC2)C3)n1,55.0,7.259637310505756,499.5720000000004,2.805300000000001,1,8,122.96999999999998,7,1
CHEMBL5974969,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)C2CC2)C3)n1,1000.0,6.0,485.54500000000036,2.5577000000000005,1,8,122.96999999999998,6,1
CHEMBL5929858,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)N(C)C)C3)n1,55.0,7.259637310505756,488.5490000000003,1.8719,1,8,126.20999999999998,6,1
CHEMBL5752021,CCN1CCN(C(=O)N2CCc3cc(F)c(C(=O)Nc4cccc(-c5nnnn5C(C)C)n4)cc3C2)C(=O)C1=O,55.0,7.259637310505756,549.5670000000002,1.8761999999999994,1,9,146.52,5,1
CHEMBL5862476,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCN(C)CC2)C3)n1,55.0,7.259637310505756,507.57400000000047,2.4329,1,8,112.37999999999998,4,1
CHEMBL5755725,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCOCC2)C3)n1,55.0,7.259637310505756,494.53100000000046,2.5177000000000005,1,8,118.36999999999999,4,1
CHEMBL5851662,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCCC2)C3)n1,55.0,7.259637310505756,478.53200000000044,3.2813000000000017,1,7,109.13999999999999,4,1
CHEMBL6061104,CCN(CC)C(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,480.5480000000002,3.527300000000002,1,7,109.14,6,1
CHEMBL5838802,CCN(C)C(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,55.0,7.259637310505756,466.5210000000002,3.1372000000000018,1,7,109.14,5,1
CHEMBL5832767,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)C)C3)n1,55.0,7.259637310505756,452.4940000000003,2.7471000000000014,1,7,109.13999999999999,4,1
CHEMBL6015943,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)C2CCCC2)C3)n1,55.0,7.259637310505756,477.54400000000044,3.782300000000003,1,7,105.89999999999999,5,1
CHEMBL5761453,CCN1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1=O,1000.0,6.0,423.45200000000017,2.725600000000001,1,7,105.9,5,1
CHEMBL5972933,CC(C)c1nnnn1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)CCC(F)(F)F)C3)n1,550.0,6.259637310505756,534.5180000000003,3.9344000000000037,1,7,109.13999999999999,6,1
CHEMBL5943114,CC(C)c1nnnn1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,1000.0,6.0,541.5310000000002,3.2124000000000015,1,8,122.96999999999998,7,1
CHEMBL5939263,CCN(C)C(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-n4nnnc4C(C)C)n3)cc2C1,1000.0,6.0,466.5210000000002,3.001900000000001,1,7,109.14,5,1
CHEMBL5790321,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CC2CC(F)(F)C2)C3)n1,55.0,7.259637310505756,549.5790000000002,3.4406000000000025,1,8,122.96999999999998,7,1
CHEMBL5873525,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCS(=O)(=O)CC2)C3)n1,55.0,7.259637310505756,542.5970000000002,1.9158999999999997,1,9,143.27999999999997,4,1
CHEMBL5873525,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCS(=O)(=O)CC2)C3)n1,55.0,7.259637310505756,542.5970000000002,1.9158999999999997,1,9,143.27999999999997,4,1
CHEMBL5777585,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCSCC2)C3)n1,55.0,7.259637310505756,510.59900000000044,3.234300000000002,1,8,109.13999999999999,4,1
CHEMBL5745492,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)C3)n1,55.0,7.259637310505756,522.5850000000004,3.2947000000000024,1,8,118.36999999999999,4,1
CHEMBL5947013,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)CCC(F)(F)F)C3)n1,55.0,7.259637310505756,534.5180000000003,4.069700000000003,1,7,109.13999999999999,6,1
CHEMBL6011380,CC1c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2CCN1CC(=O)N1CCCC1,550.0,6.259637310505756,506.58600000000047,3.2489000000000017,1,8,109.14,6,1
CHEMBL5942737,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OCc2ccccc2)C3)n1,1000.0,6.0,573.5850000000004,3.9455000000000027,1,10,141.43,8,1
CHEMBL5817556,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)C2CC2)C3)n1,5.5,8.259637310505756,468.54300000000035,1.8135999999999999,1,9,135.86,6,1
CHEMBL5862700,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)N(C)C)C3)n1,55.0,7.259637310505756,471.5470000000003,1.1277999999999997,1,9,139.1,6,1
CHEMBL5884981,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)C2CCCC2)C3)n1,55.0,7.259637310505756,489.58400000000046,3.315800000000002,1,8,122.03,5,1
CHEMBL6052682,CCN(CC)C(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,463.54600000000016,2.783200000000001,1,8,122.03000000000002,6,1
CHEMBL5772069,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)CCC(F)(F)F)C3)n1,55.0,7.259637310505756,517.5160000000003,3.3256000000000023,1,8,122.03,6,1
CHEMBL6033555,CCN(C)C(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,449.5190000000002,2.3931000000000004,1,8,122.03000000000002,5,1
CHEMBL5879024,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)C)C3)n1,5.5,8.259637310505756,435.4920000000003,2.003,1,8,122.03,4,1
CHEMBL6023323,CCNC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,435.4920000000002,2.0508999999999995,2,8,130.82,5,1
CHEMBL6016544,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,436.4760000000002,2.4779,1,9,128.01999999999998,5,1
CHEMBL5806381,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C2CCCC2)C3)n1,5.5,8.259637310505756,460.5420000000004,3.0382000000000016,1,8,118.79,5,1
CHEMBL5839506,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)c2ccccc2)C3)n1,5.5,8.259637310505756,520.5750000000003,1.6826999999999999,2,10,156.08999999999997,7,1
CHEMBL5787446,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)c2ccc(F)cc2)C3)n1,5.5,8.259637310505756,502.51000000000033,2.2733,2,9,139.01999999999998,6,1
CHEMBL6048353,COCCC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,466.50200000000024,0.8568999999999991,2,10,148.25,8,1
CHEMBL5966171,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)CCC(F)(F)F)C3)n1,5.5,8.259637310505756,504.47300000000035,2.1628999999999996,2,9,139.01999999999998,7,1
CHEMBL6030717,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C2CCC2)C3)n1,5.5,8.259637310505756,462.5140000000004,1.6204999999999992,2,9,139.01999999999998,6,1
CHEMBL5755395,CCC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,436.4760000000002,1.2303999999999995,2,9,139.02,6,1
CHEMBL5790045,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OCC(F)(F)F)C3)n1,1.0,9.0,506.44500000000033,1.9926999999999997,2,10,148.25,6,1
CHEMBL5770991,CC(C)COC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,480.5290000000002,2.0863999999999994,2,10,148.25,7,1
CHEMBL5831682,COC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,438.4480000000002,1.0601999999999996,2,10,148.25,5,1
CHEMBL6047018,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NCc2ccccc2)C3)n1,5.5,8.259637310505756,513.5620000000004,2.2036,3,9,151.05,7,1
CHEMBL5838536,COCCNC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,481.5170000000002,0.6497999999999993,3,10,160.27999999999997,8,1
CHEMBL5999211,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NC2CC2)C3)n1,5.5,8.259637310505756,463.50200000000035,1.165799999999999,3,9,151.05,6,1
CHEMBL6029396,CC(C)NC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,465.5180000000002,1.4117999999999995,3,9,151.05,6,1
CHEMBL6055306,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(Cc2ccccc2)C3)n1,5.5,8.259637310505756,470.5370000000003,2.4940000000000007,2,9,121.95,7,1
CHEMBL5771822,COCCN1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,438.4920000000002,0.9401999999999999,2,10,131.18,8,1
CHEMBL6050869,CC(C)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,55.0,7.259637310505756,422.49300000000017,1.7021999999999995,2,9,121.95000000000002,6,1
CHEMBL5904305,CCN1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,55.0,7.259637310505756,408.4660000000002,1.3136999999999994,2,9,121.95000000000002,6,1
CHEMBL5895864,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCS(=O)(=O)CC2)C3)n1,5.5,8.259637310505756,525.5950000000005,1.1718,1,10,156.17000000000002,4,1
CHEMBL5908181,COCCS(=O)(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,486.55800000000016,1.2975999999999985,1,10,145.09000000000003,8,1
CHEMBL5862342,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)CC2CC(F)(F)C2)C3)n1,5.5,8.259637310505756,532.5770000000002,2.6965000000000012,1,9,135.86,7,1
CHEMBL5890430,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)CC(F)(F)F)C3)n1,55.0,7.259637310505756,510.5020000000003,2.2135,1,9,135.86,6,1
CHEMBL6021485,CC(C)CS(=O)(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,5.5,8.259637310505756,484.5860000000002,2.3072,1,9,135.86,7,1
CHEMBL5930233,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C=O)C3)n1,5.5,8.259637310505756,408.42200000000025,0.45019999999999927,2,9,139.01999999999998,6,1
CHEMBL5760726,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC(C)(C)C)C3)n1,5.5,8.259637310505756,480.5290000000004,2.2288999999999994,2,10,148.25,5,1
CHEMBL5803006,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCCC2)C3)n1,5.5,8.259637310505756,477.52900000000045,1.5095999999999994,2,9,142.26,5,1
CHEMBL5802353,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,452.47500000000025,1.4502999999999995,2,10,148.25,6,1
CHEMBL5824876,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C2CCCC2)C3)n1,5.5,8.259637310505756,476.54100000000045,2.0105999999999993,2,9,139.01999999999998,6,1
CHEMBL6032039,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC(C)(C)C)C3)n1,550.0,6.259637310505756,522.5660000000005,2.7997000000000005,1,11,154.32,6,1
CHEMBL5957168,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)C2CC2)C3)n1,5.5,8.259637310505756,484.54200000000037,0.7859999999999996,2,10,156.08999999999997,7,1
CHEMBL5817741,CC(C)S(=O)(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,486.5580000000002,1.0319999999999991,2,10,156.08999999999997,7,1
CHEMBL5942285,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,5.5,8.259637310505756,540.5280000000002,1.576,2,10,156.08999999999997,8,1
CHEMBL5893089,CC(C)CC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,464.53000000000026,1.8664999999999994,2,9,139.02,7,1
CHEMBL6006336,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C(C)(C)C)C3)n1,5.5,8.259637310505756,464.53000000000037,1.8664999999999992,2,9,139.01999999999998,5,1
CHEMBL6002363,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC(C)(C)C)C3)n1,55.0,7.259637310505756,464.53000000000037,3.2565000000000017,1,9,128.02,4,1
CHEMBL6057050,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)N2CCCC2)C3)n1,5.5,8.259637310505756,513.5840000000004,0.6344000000000003,2,10,159.32999999999998,7,1
CHEMBL6025747,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C2CC2)C3)n1,5.5,8.259637310505756,448.48700000000036,1.230399999999999,2,9,139.01999999999998,6,1
CHEMBL5890008,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC2CCCC2)C3)n1,5.5,8.259637310505756,492.5400000000005,2.373,2,10,148.25,6,1
CHEMBL5747427,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC2CCC2)C3)n1,5.5,8.259637310505756,478.51300000000043,1.9828999999999997,2,10,148.25,6,1
CHEMBL5987865,COCCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,482.5010000000002,1.076799999999999,2,11,157.48000000000002,8,1
CHEMBL5958014,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OCC(C)(C)C)C3)n1,5.5,8.259637310505756,494.55600000000044,2.4765000000000006,2,10,148.25,6,1
CHEMBL5940987,CCCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,466.50200000000024,1.8403999999999994,2,10,148.25,7,1
CHEMBL5977125,CC(C)CS(=O)(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,500.5850000000002,1.2795999999999994,2,10,156.08999999999997,8,1
CHEMBL5793892,CC(C)OC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,466.50200000000024,1.8387999999999995,2,10,148.25,6,1
CHEMBL5954182,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(CC2CC2)C3)n1,5.5,8.259637310505756,434.50400000000036,1.7037999999999998,2,9,121.95,7,1
CHEMBL5878823,CC(C)CN1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,436.5200000000002,1.9497999999999993,2,9,121.95000000000002,7,1
CHEMBL5849586,CCCN1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,422.49300000000017,1.7037999999999993,2,9,121.95000000000002,7,1
CHEMBL5896733,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)N(C)C)C3)n1,5.5,8.259637310505756,487.54600000000033,0.10020000000000095,2,10,159.32999999999998,7,1
CHEMBL6029317,CCN(C)C(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,465.5180000000002,1.3654999999999993,2,9,142.26,6,1
CHEMBL6006422,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)C)C3)n1,5.5,8.259637310505756,451.4910000000003,0.9753999999999994,2,9,142.26,5,1
CHEMBL6061541,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NC2CCCC2)C3)n1,5.5,8.259637310505756,491.55600000000044,1.945999999999999,3,9,151.05,6,1
CHEMBL5777069,CCNC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.5,8.259637310505756,451.4910000000002,1.0232999999999994,3,9,151.05,6,1
CHEMBL5745079,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(Cc2ccccn2)C3)n1,5.5,8.259637310505756,471.5250000000003,1.8889999999999996,2,10,134.84,7,1
CHEMBL5860109,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,5.5,8.259637310505756,524.5290000000003,2.603600000000001,1,9,135.86,7,1
CHEMBL5914015,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCCC2)C3)n1,5.5,8.259637310505756,461.5300000000004,2.5372000000000003,1,8,122.03,4,1
CHEMBL5999463,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)C(=O)N(C(C)C)C2,550.0,6.259637310505756,435.4880000000002,2.9411000000000014,1,8,115.13000000000001,6,1
CHEMBL5901410,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)C(=O)N(C(C)C)C2,55.0,7.259637310505756,434.5000000000002,3.5461000000000027,1,7,102.24,6,1
CHEMBL5818524,CC(C)N1Cc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1=O,1000.0,6.0,423.45200000000017,3.071600000000001,1,7,105.9,5,1
CHEMBL6024081,CC(C)N1Cc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1=O,1000.0,6.0,422.46400000000017,3.6766000000000023,1,6,93.00999999999999,5,1
CHEMBL5915590,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CN(C(=O)OCc2ccccc2)C3)n1,5.5,8.259637310505756,500.51900000000035,2.5881000000000007,2,10,148.25,7,1
CHEMBL6059094,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CN(C(=O)OCc2ccccc2)C3)n1,55.0,7.259637310505756,483.5320000000003,4.220700000000003,1,8,115.13,6,1
CHEMBL5883232,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CN(C(=O)OCc2ccccc2)C3)n1,1000.0,6.0,484.5200000000003,3.615700000000003,1,9,128.02,6,1
CHEMBL5914330,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C)C3)n1,5.5,8.259637310505756,394.43900000000025,0.9235999999999995,2,9,121.95,5,1
CHEMBL6064133,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2C4CCCC2CC4)C3)n1,5.5,8.259637310505756,517.5940000000005,2.4307,2,9,142.26,5,1
CHEMBL5948514,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NCCC(F)(F)F)C3)n1,5.5,8.259637310505756,519.4880000000003,1.9558,3,9,151.05,7,1
CHEMBL5971232,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)C2CCCC2)C3)n1,1000.0,6.0,505.5830000000005,2.2882,2,9,142.26,6,1
CHEMBL6011354,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCC2)C3)n1,5.5,8.259637310505756,463.5020000000004,1.1194999999999993,2,9,142.26,5,1
CHEMBL5973761,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)NC2COC2)C3)n1,55.0,7.259637310505756,479.5010000000004,0.4021999999999995,3,10,160.27999999999997,6,1
CHEMBL5793842,CCn1cc(CNC(=O)N2CCc3cnc(C(=O)Nc4cccc(-c5nnnn5[C@H](C)CO)n4)cc3C2)cn1,1.0,9.0,531.5810000000001,1.4199999999999988,3,11,168.87,8,1
CHEMBL5776985,CCn1cc(COC(=O)N2CCc3cnc(C(=O)Nc4cccc(-c5nnnn5[C@H](C)CO)n4)cc3C2)cn1,5.5,8.259637310505756,532.5650000000002,1.8469999999999995,2,12,166.07,8,1
CHEMBL5871212,CCOC(=O)N1Cc2cnc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,55.0,7.259637310505756,421.4610000000002,3.0404000000000018,1,8,115.13000000000001,5,1
CHEMBL5986581,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC2CC4CCC(C2)N4C)C3)n1,5.5,8.259637310505756,547.6200000000003,2.055599999999999,2,11,151.49,6,1
CHEMBL5862265,CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)n1,1000.0,6.0,462.55400000000037,4.4665000000000035,1,7,102.24000000000001,4,1
CHEMBL5877578,CC(C)c1nnnn1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,5.5,8.259637310505756,426.4840000000002,3.404200000000002,0,8,94.61999999999999,5,1
CHEMBL5746446,CC(C)n1nnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,55.0,7.259637310505756,426.4840000000002,3.539500000000002,0,8,94.61999999999999,5,1
CHEMBL5851072,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,550.0,6.259637310505756,484.5200000000003,3.0827000000000018,0,10,120.92,7,1
CHEMBL5851072,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,55.0,7.259637310505756,484.5200000000003,3.0827000000000018,0,10,120.92,7,1
CHEMBL5747538,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(N2Cc3ccc(OC(C)C)cc3C2=O)n1,1000.0,6.0,436.47200000000026,2.806800000000001,0,9,112.33,7,1
CHEMBL6038695,CC(C)Oc1ccc2c(c1)C(=O)N(c1cccc(-c3nnnn3[C@H](C)CO)n1)C2,5.5,8.259637310505756,394.4350000000001,2.2359999999999998,1,8,106.26000000000002,6,1
CHEMBL5937856,CC(C)n1nnnc1-c1cccc(N2Cc3ccccc3C2=O)n1,55.0,7.259637310505756,320.3560000000001,2.4764,0,6,76.80000000000001,3,1
CHEMBL5952330,CC(C)c1nnnn1-c1cccc(N2Cc3ccc(N4CCOCC4)cc3C2=O)n1,550.0,6.259637310505756,405.4620000000003,2.1776999999999997,0,8,89.27,4,1
CHEMBL5956807,CC(C)c1nnnn1-c1cccc(N2Cc3ccc(-c4cccnc4)cc3C2=O)n1,55.0,7.259637310505756,397.4420000000001,3.403100000000002,0,7,89.69000000000001,4,1
CHEMBL5935915,CCN1CCN(c2ccc3c(c2)C(=O)N(c2cccc(-n4nnnc4C(C)C)n2)C3)CC1=O,55.0,7.259637310505756,446.51500000000027,2.0096,0,8,100.35,5,1
CHEMBL5789834,Cc1ncccc1-c1ccc2c(c1)C(=O)N(c1cccc(-n3nnnc3C(C)C)n1)C2,550.0,6.259637310505756,411.46900000000016,3.711520000000001,0,7,89.69000000000001,4,1
CHEMBL6051833,Cc1ccncc1-c1ccc2c(c1)C(=O)N(c1cccc(-n3nnnc3C(C)C)n1)C2,550.0,6.259637310505756,411.46900000000016,3.711520000000001,0,7,89.69000000000001,4,1
CHEMBL5778402,CC(C)n1nnnc1-c1cccc(N2Cc3ccc(-c4cccnc4)cc3C2=O)n1,5.5,8.259637310505756,397.4420000000001,3.538400000000002,0,7,89.69000000000001,4,1
CHEMBL5778409,Cc1cc2c(cc1OC(C)C)C(=O)N(c1cccc(-c3nnnn3[C@H](C)CO)n1)C2,5.5,8.259637310505756,408.46200000000016,2.5444199999999997,1,8,106.26000000000002,6,1
CHEMBL5846662,CC(C)n1nnnc1-c1cccc(N2Cc3ccc(-c4cncc(C5CC5)c4)cc3C2=O)n1,55.0,7.259637310505756,437.50700000000023,4.4158000000000035,0,7,89.69000000000001,5,1
CHEMBL5872576,CC(C)n1nnnc1-c1cccc(N2Cc3ccc(-c4ccc(C5CC5)nc4)cc3C2=O)n1,55.0,7.259637310505756,437.50700000000023,4.4158000000000035,0,7,89.69000000000001,5,1
CHEMBL5780163,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(C(=O)O)c4)cc3C2=O)n1,5.2,8.2839966563652,439.4750000000002,4.446600000000004,1,6,101.21,5,1
CHEMBL5862012,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)c(F)c4)cc3C2=O)n1,3.3,8.481486060122112,457.4650000000002,4.5857000000000046,1,6,101.21,5,1
CHEMBL5780163,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(C(=O)O)c4)cc3C2=O)n1,5.2,8.2839966563652,439.4750000000002,4.446600000000004,1,6,101.21,5,1
CHEMBL6058001,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(C(=O)O)c4F)cc3C2=O)n1,4.3,8.366531544420413,457.4650000000002,4.5857000000000046,1,6,101.21,5,1
CHEMBL5857821,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(F)c(C(=O)O)c4)cc3C2=O)n1,4.9,8.309803919971486,457.4650000000002,4.5857000000000046,1,6,101.21,5,1
CHEMBL6018103,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(F)cc(C(=O)O)c4)cc3C2=O)n1,6.7,8.173925197299173,457.4650000000002,4.5857000000000046,1,6,101.21,5,1
CHEMBL5787727,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(C(=O)O)ccc4F)cc3C2=O)n1,0.3,9.522878745280337,457.4650000000002,4.585700000000004,1,6,101.21,5,1
CHEMBL5800064,COc1ccc(C(=O)O)cc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,10.7,7.97061622231479,469.5010000000002,4.455200000000003,1,7,110.44000000000001,6,1
CHEMBL5787110,Cc1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1C(=O)O,5.6,8.2518119729938,453.50200000000024,4.7550200000000045,1,6,101.21000000000001,5,1
CHEMBL5768230,Cc1ccc(C(=O)O)cc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,5.9,8.229147988357855,453.5020000000002,4.755020000000004,1,6,101.21,5,1
CHEMBL5795972,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(C#N)cc(C(=O)O)c4)cc3C2=O)n1,1.6,8.795880017344075,464.48500000000024,4.318280000000003,1,7,125.00000000000001,5,1
CHEMBL5926682,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(C(=O)O)ccc4C#N)cc3C2=O)n1,15.6,7.806875401645538,464.48500000000024,4.318280000000003,1,7,124.99999999999999,5,1
CHEMBL6041862,O=C(O)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1,5.3,8.275724130399212,437.4590000000002,4.200600000000002,1,6,101.21,5,1
CHEMBL5916005,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(N4CCCC(C(=O)O)C4)cc3C2=O)n1,11.2,7.950781977329818,446.5110000000003,3.3824000000000014,1,7,104.45,5,1
CHEMBL5782592,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5c(c4)C(=O)OC5=O)cc3C2=O)n1,4.0,8.397940008672037,465.4690000000003,4.059000000000004,0,8,107.27999999999999,4,1
CHEMBL5775165,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(C)(C)c5nn[nH]n5)cc4)cc3C2=O)n1,2.8,8.55284196865778,505.58600000000024,4.587400000000003,1,8,118.37000000000002,6,1
CHEMBL5862012,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)c(F)c4)cc3C2=O)n1,3.3,8.481486060122112,457.4650000000002,4.5857000000000046,1,6,101.21,5,1
CHEMBL5906116,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(C)(C)C(=O)O)cc4)cc3C2=O)n1,4.7,8.327902142064282,481.55600000000027,5.110600000000004,1,6,101.21,6,1
CHEMBL6060824,CC(C)(C(=O)O)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(F)(F)F)n2)C3)cc1,2.6,8.585026652029182,507.4720000000001,5.006000000000003,1,6,101.21,5,1
CHEMBL5880765,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)cc4)cc3C2=O)n1,5.4,8.267606240177031,439.4750000000002,4.446600000000004,1,6,101.21,5,1
CHEMBL5804059,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccccc4C(=O)O)cc3C2=O)n1,42.2,7.374687549038326,439.4750000000002,4.446600000000004,1,6,101.21,5,1
CHEMBL5818159,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)cc4F)cc3C2=O)n1,5.8,8.236572006437063,457.4650000000002,4.5857000000000046,1,6,101.21,5,1
CHEMBL6029058,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)cc4CO)cc3C2=O)n1,5.1,8.292429823902063,469.50100000000026,3.938900000000002,2,7,121.44000000000001,6,1
CHEMBL5765172,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(C(=O)O)ccc4CO)cc3C2=O)n1,5.3,8.275724130399212,469.50100000000026,3.938900000000002,2,7,121.44000000000001,6,1
CHEMBL6041520,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)cc3C2=O)n1,5.0,8.301029995663981,473.9200000000002,5.100000000000005,1,6,101.21,5,1
CHEMBL5808077,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5cc(C(=O)O)[nH]c5c4)cc3C2=O)n1,5.1,8.292429823902063,478.5120000000002,4.927900000000005,2,6,116.99999999999999,5,1
CHEMBL5753218,CCc1sc(C(=O)O)cc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,6.8,8.167491087293763,473.5580000000002,5.0705000000000044,1,7,101.21,6,1
CHEMBL5987742,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cncc(C(=O)O)c4)cc3C2=O)n1,5.1,8.292429823902063,440.4630000000002,3.8416000000000023,1,7,114.10000000000001,5,1
CHEMBL5776708,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(O)c(C(=O)O)c4)cc3C2=O)n1,7.0,8.154901959985743,455.4740000000002,4.152200000000003,2,7,121.44000000000001,5,1
CHEMBL5869407,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(Cl)cc4C(=O)O)cc3C2=O)n1,34.4,7.46344155742847,473.9200000000002,5.100000000000005,1,6,101.21,5,1
CHEMBL5769721,COc1cc(N)c(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1C(=O)O,8.9,8.050609993355087,484.51600000000025,4.0374000000000025,2,8,136.46,6,1
CHEMBL5862012,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)c(F)c4)cc3C2=O)n1,5.4,8.267606240177031,457.4650000000002,4.5857000000000046,1,6,101.21,5,1
CHEMBL5913043,Cc1c(C(=O)O)cc(N)cc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,12.4,7.906578314837765,468.51700000000017,4.337220000000003,2,7,127.22999999999998,5,1
CHEMBL5789075,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)cc4O)cc3C2=O)n1,6.6,8.18045606445813,455.4740000000002,4.152200000000004,2,7,121.44000000000001,5,1
CHEMBL5804059,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccccc4C(=O)O)cc3C2=O)n1,160.0,6.795880017344075,439.4750000000002,4.446600000000004,1,6,101.21,5,1
CHEMBL5914977,O=C(O)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)cc1,4.3,8.366531544420413,437.4590000000002,4.200600000000003,1,6,101.21,5,1
CHEMBL5876473,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)cc3C2=O)n1,4.7,8.327902142064282,473.92000000000024,5.100000000000005,1,6,101.21,5,1
CHEMBL5982673,Cc1cc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)ccc1C(=O)O,14.3,7.844663962534938,453.5020000000002,4.755020000000004,1,6,101.21000000000001,5,1
CHEMBL5962517,Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,5.7,8.244125144327509,453.5020000000002,4.755020000000004,1,6,101.21,5,1
CHEMBL5828436,COc1cc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)ccc1C(=O)O,5.6,8.2518119729938,469.5010000000002,4.455200000000003,1,7,110.44000000000001,6,1
CHEMBL5844998,COc1cc(C(=O)O)ccc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,8.2,8.086186147616283,469.5010000000002,4.455200000000003,1,7,110.44000000000001,6,1
CHEMBL6057773,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)c(S(C)(=O)=O)c4)cc3C2=O)n1,2.8,8.55284196865778,517.5670000000002,3.850100000000003,1,8,135.34999999999997,6,1
CHEMBL6049786,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(F)c(C(=O)O)c(F)c4)cc3C2=O)n1,4.6,8.337242168318426,475.4550000000002,4.724800000000004,1,6,101.21,5,1
CHEMBL5908319,Cc1cc(F)c(C(=O)O)cc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,4.6,8.337242168318426,471.49200000000025,4.894120000000004,1,6,101.21,5,1
CHEMBL5792360,COc1c(C)cc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1C(=O)O,5.2,8.2839966563652,483.52800000000025,4.763620000000003,1,7,110.44000000000001,6,1
CHEMBL5786562,COC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1,14.9,7.826813731587726,453.5020000000002,4.535000000000004,0,7,90.21000000000002,5,1
CHEMBL5865443,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5c(c4)COC5=O)cc3C2=O)n1,3.2,8.494850021680094,451.4860000000003,4.418800000000004,0,7,90.21000000000001,4,1
CHEMBL5821933,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C(=O)O)c(CO)c4)cc3C2=O)n1,6.2,8.207608310501746,469.50100000000026,3.938900000000003,2,7,121.44000000000001,6,1
CHEMBL5868776,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(CC(=O)O)cc4)cc3C2=O)n1,4.3,8.366531544420413,453.50200000000024,4.375500000000002,1,6,101.21,6,1
CHEMBL5895853,CC(C(=O)O)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1,3.6,8.443697499232712,467.52900000000017,4.936500000000004,1,6,101.21,6,1
CHEMBL5841486,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cc3C2=O)n1,1.83,8.73754891026957,479.5400000000003,4.864600000000004,1,6,101.21,6,1
CHEMBL5879519,O=C1c2cc(-c3ccc(C4(C(=O)O)CC4)cc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,2.5,8.602059991327963,477.5240000000002,4.618600000000003,1,6,101.21,6,1
CHEMBL6010208,COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1,4.9,8.309803919971486,495.5830000000002,5.199000000000004,0,7,90.21000000000002,6,1
CHEMBL5794733,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(OCC(=O)O)cc4)cc3C2=O)n1,4.9,8.309803919971486,469.50100000000026,4.211800000000002,1,7,110.44000000000001,7,1
CHEMBL5804541,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(CCC(=O)O)cc4)cc3C2=O)n1,4.4,8.356547323513812,467.5290000000003,4.765600000000004,1,6,101.21,7,1
CHEMBL5902739,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(-c5nn[nH]n5)cc4)cc3C2=O)n1,7.9,8.102372908709558,463.50500000000017,3.9285000000000023,1,8,118.37000000000002,5,1
CHEMBL6031940,O=C1c2cc(-c3ccc(-c4nn[nH]n4)cc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,5.52,8.2580609222708,461.48900000000026,3.682500000000002,1,8,118.36999999999999,5,1
CHEMBL5825671,O=C(O)c1ccc(F)c(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1,12.4,7.906578314837765,455.4490000000002,4.339700000000003,1,6,101.21,5,1
CHEMBL5801023,Cc1c(C(=O)O)cccc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,6.9,8.161150909262744,453.5020000000002,4.755020000000004,1,6,101.21,5,1
CHEMBL6019733,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(C(=O)O)c4O)cc3C2=O)n1,3.4,8.468521082957745,455.4740000000002,4.152200000000004,2,7,121.44000000000001,5,1
CHEMBL5758560,COc1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1C(=O)O,4.9,8.309803919971486,469.5010000000002,4.455200000000003,1,7,110.44000000000001,6,1
CHEMBL5939633,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(F)cc(C(=O)O)c4F)cc3C2=O)n1,4.7,8.327902142064282,475.4550000000002,4.724800000000004,1,6,101.21,5,1
CHEMBL5787566,Cc1c(F)cc(C(=O)O)cc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,4.9,8.309803919971486,471.4920000000002,4.894120000000004,1,6,101.21,5,1
CHEMBL5972288,COC(=O)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)c1C,6.37,8.19586056766465,467.5290000000002,4.843420000000004,0,7,90.21000000000002,5,1
CHEMBL5790871,COC(=O)c1ccc(F)c(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)c1,6.57,8.18243463044022,471.4920000000002,4.674100000000004,0,7,90.21000000000002,5,1
CHEMBL6022506,COC(=O)c1ccc(F)c(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1,3.28,8.48412615628832,469.4760000000002,4.428100000000003,0,7,90.21000000000002,5,1
CHEMBL5946199,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(C(C)(C)C(=O)O)c4)cc3C2=O)n1,0.7,9.154901959985743,481.55600000000027,5.110600000000005,1,6,101.21,6,1
CHEMBL5785640,CC(C)(C(=O)O)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1,12.5,7.903089986991944,479.5400000000002,4.864600000000004,1,6,101.21,6,1
CHEMBL5924979,COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1,46.6,7.33161408331,493.5670000000003,4.953000000000004,0,7,90.21000000000002,6,1
CHEMBL5904652,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(C5(C(=O)O)CC5)c4)cc3C2=O)n1,7.3,8.136677139879543,479.5400000000003,4.864600000000004,1,6,101.21,6,1
CHEMBL5820153,O=C1c2cc(-c3cccc(C4(C(=O)O)CC4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,8.4,8.075720713938118,477.5240000000002,4.618600000000003,1,6,101.21,6,1
CHEMBL5909721,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(CCC(=O)O)c4)cc3C2=O)n1,5.2,8.2839966563652,467.5290000000003,4.765600000000004,1,6,101.21,7,1
CHEMBL5932507,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cccc(OCC(=O)O)c4)cc3C2=O)n1,5.2,8.2839966563652,469.50100000000026,4.211800000000003,1,7,110.44000000000001,7,1
CHEMBL5976849,O=C1c2cc(-c3cccc(-c4nn[nH]n4)c3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1,5.44,8.26440110030182,461.48900000000026,3.682500000000002,1,8,118.36999999999999,5,1
CHEMBL5895345,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(-c5nn[nH]n5)ccc4F)cc3C2=O)n1,6.4,8.193820026016112,481.4950000000002,4.067600000000002,1,8,118.37000000000002,5,1
CHEMBL5967167,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4nccc(C(=O)O)c4F)cc3C2=O)n1,1.6,8.795880017344075,458.4530000000002,3.9807000000000023,1,7,114.10000000000001,5,1
CHEMBL5985747,Cc1c(C(=O)O)ccnc1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2,2.1,8.67778070526608,454.4900000000002,4.150020000000002,1,7,114.09999999999998,5,1
CHEMBL6028112,Cc1cc(C(=O)O)cc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)n1,6.5,8.187086643357144,454.4900000000002,4.150020000000002,1,7,114.1,5,1
CHEMBL5750805,COc1ncc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)cc1C(=O)O,4.6,8.337242168318426,470.4890000000002,3.850200000000001,1,8,123.33000000000003,6,1
CHEMBL5746635,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cnc(N)c(C(=O)O)c4)cc3C2=O)n1,1.9,8.721246399047171,455.47800000000024,3.423800000000001,2,8,140.12,5,1
CHEMBL5781898,Cc1cc(C(=O)O)c(C#N)c(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C(C)C)n2)C3)n1,67.1,7.1732774798310075,479.50000000000017,4.021700000000003,1,8,137.89,5,1
CHEMBL5963745,CCn1cnnc1-c1cccc(N2Cc3ccc(-c4cc(C(=O)O)cnn4)cc3C2=O)n1,5.2,8.2839966563652,427.42400000000015,2.6756,1,8,126.99,5,1
CHEMBL5852297,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc(-n5ncc(C(=O)O)c5N)cc4)cc3C2=O)n1,8.2,8.086186147616283,520.5530000000002,4.214500000000002,2,9,145.05,6,1
CHEMBL5819333,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5nc(C(=O)O)sc5c4)cc3C2=O)n1,4.1,8.387216143280265,496.55200000000025,5.056300000000005,1,8,114.10000000000001,5,1
CHEMBL5771353,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5c(C(=O)O)cnn5c4)cc3C2=O)n1,3.9,8.4089353929735,479.5000000000002,4.094300000000003,1,8,118.51,5,1
CHEMBL5886893,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5ncc(C(=O)O)n5c4)cc3C2=O)n1,3.5,8.455931955649724,479.5000000000002,4.094300000000003,1,8,118.51,5,1
CHEMBL6034677,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccn5ncc(C(=O)O)c5n4)cc3C2=O)n1,8.3,8.080921907623926,480.4880000000002,3.489300000000001,1,9,131.39999999999998,5,1
CHEMBL5968180,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ncc5ccc(C(=O)O)cc5n4)cc3C2=O)n1,7.0,8.154901959985743,491.51100000000025,4.389800000000003,1,8,126.99,5,1
CHEMBL5918192,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(C4CCC(C(=O)O)CC4)cc3C2=O)n1,13.4,7.872895201635193,445.5230000000003,4.4398000000000035,1,6,101.21,5,1
CHEMBL5858957,CC(C)n1cnnc1-c1cccc(N2Cc3ccc([C@H]4CC[C@@H](C(=O)O)CC4)cc3C2=O)n1,14.6,7.835647144215563,445.5230000000003,4.4398000000000035,1,6,101.21,5,1
CHEMBL5841794,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(N4CCC(C(=O)O)CC4)cc3C2=O)n1,6.16,8.210419287835574,446.5110000000003,3.3824000000000014,1,7,104.45,5,1
CHEMBL5926174,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(N4CCC(CC(=O)O)CC4)cc3C2=O)n1,6.6,8.18045606445813,460.53800000000035,3.7725000000000026,1,7,104.45,6,1
CHEMBL5833886,O=C(O)CC1CCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)CC1,19.2,7.716698771296451,458.52200000000033,3.526500000000002,1,7,104.45,6,1
CHEMBL5801950,O=C(O)C1CCCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)C1,21.7,7.663540266151471,444.4950000000003,3.136400000000002,1,7,104.45,5,1
CHEMBL5772652,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,446.49000000000024,4.078920000000003,1,8,103.41000000000001,6,1
CHEMBL5903369,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,444.4740000000003,3.8329200000000023,1,8,103.41000000000001,6,1
CHEMBL5827689,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3(C)CC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,458.5010000000003,4.0070200000000025,1,8,103.41000000000001,6,1
CHEMBL5909410,CC(=O)OCC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL5909410,CC(=O)OCC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL6040656,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,100.0,7.0,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL5849541,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,462.48900000000026,3.0513200000000014,2,9,123.64000000000003,7,1
CHEMBL5995663,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CCCC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,472.52800000000036,4.613120000000003,1,8,103.41000000000001,6,1
CHEMBL6002542,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,460.5170000000003,4.154020000000003,1,8,103.41000000000001,7,1
CHEMBL5995580,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CCC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,458.5010000000003,4.2230200000000035,1,8,103.41000000000001,6,1
CHEMBL5973729,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CC(F)(F)C3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,494.4810000000003,4.468220000000002,1,8,103.41000000000001,6,1
CHEMBL5959145,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(F)F)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,468.4430000000002,3.7631200000000025,1,8,103.41000000000001,7,1
CHEMBL5957414,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(C)(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.5440000000003,4.544120000000003,1,8,103.41000000000001,6,1
CHEMBL5783318,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CF)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,464.48000000000025,4.028520000000003,1,8,103.41000000000001,7,1
CHEMBL5851667,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H](C)CF)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,464.48000000000025,4.028520000000003,1,8,103.41000000000001,7,1
CHEMBL5926416,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,500.4600000000002,4.6213200000000025,1,8,103.41000000000001,6,1
CHEMBL5748729,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCOC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.4594200000000015,1,9,112.64000000000003,6,1
CHEMBL5844895,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3CCOC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.4594200000000015,1,9,112.64000000000003,6,1
CHEMBL5814645,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C(=O)O)n2)cc1-n1cnc(C2CC2)c1,100.0,7.0,476.47200000000026,3.143620000000001,2,9,140.71000000000004,7,1
CHEMBL5834841,CC(=O)NC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,55.0,7.259637310505756,503.5420000000003,3.195120000000002,2,9,132.51000000000002,8,1
CHEMBL5934268,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3C[C@@H](O)C3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.5000000000003,3.1938200000000014,2,9,123.64000000000003,6,1
CHEMBL6005817,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CCO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,476.5160000000003,3.4414200000000017,2,9,123.64000000000003,8,1
CHEMBL5839539,CC(=O)OCC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,518.5530000000002,4.012220000000003,1,10,129.71,9,1
CHEMBL6015111,CCCC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,55.0,7.259637310505756,532.5800000000003,4.402320000000003,1,10,129.71,10,1
CHEMBL5772302,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)COC(=O)c3ccccc3)n2)cc1-n1cnc(C2CC2)c1,100.0,7.0,566.5970000000001,4.916020000000004,1,10,129.71000000000004,9,1
CHEMBL5945418,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(CO)CO)n2)cc1-n1cnc(C2CC2)c1,1.0,9.0,478.4880000000003,2.023719999999999,3,10,143.87,8,1
CHEMBL5777221,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,55.0,7.259637310505756,474.42200000000014,4.220320000000003,1,8,103.41000000000001,5,1
CHEMBL5909662,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(F)(F)F)c1,5.5,8.259637310505756,490.42100000000016,3.1927200000000013,2,9,123.64000000000003,6,1
CHEMBL5846515,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,462.53300000000024,4.499020000000003,1,8,103.41000000000001,5,1
CHEMBL5805615,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C(C)(C)C)c3)c(C)cc2F)n1,5.5,8.259637310505756,520.5690000000003,4.042220000000003,1,10,129.71,7,1
CHEMBL5844537,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cc2F)n1,5.5,8.259637310505756,482.4700000000002,4.7081000000000035,1,8,103.41,7,1
CHEMBL6062879,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cc2F)n1,5.5,8.259637310505756,498.4690000000002,3.680500000000002,2,9,123.64000000000001,8,1
CHEMBL5928360,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(CO)cc2F)n1,5.5,8.259637310505756,478.4880000000003,2.2352,3,10,143.87,8,1
CHEMBL5946825,Cc1cc(F)c(C(=O)Nc2ccnc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,447.47800000000024,3.4739200000000015,1,9,116.3,6,1
CHEMBL5931390,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,445.50200000000024,4.683920000000003,1,7,90.52000000000002,6,1
CHEMBL6053975,Cc1cc(F)c(C(=O)Nc2ccnc(C3=NN=NC3)n2)cc1-n1cnc(C2CC2)c1,100.0,7.0,404.4090000000002,3.4094200000000017,1,8,109.78000000000002,5,1
CHEMBL5986352,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cc2F)n1,5.5,8.259637310505756,500.4600000000002,4.789300000000003,1,8,103.41,6,1
CHEMBL5898390,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1,5.5,8.259637310505756,439.48000000000013,3.227000000000001,1,10,116.30000000000001,6,1
CHEMBL6007677,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)n1,5.5,8.259637310505756,433.4510000000002,3.1655000000000015,1,9,116.3,6,1
CHEMBL5777130,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)n1,55.0,7.259637310505756,498.5950000000004,4.016700000000003,1,10,119.53999999999999,7,1
CHEMBL6003479,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1,55.0,7.259637310505756,504.62400000000036,4.078200000000003,1,11,119.54,7,1
CHEMBL5751315,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)cs1,5.5,8.259637310505756,490.5970000000003,3.688100000000002,1,11,119.54,7,1
CHEMBL5945152,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)n1,5.5,8.259637310505756,484.5680000000004,3.6266000000000025,1,10,119.53999999999999,7,1
CHEMBL5869103,CC1CCN(c2cnc(C(=O)Nc3csc(-c4nnnn4C(C)C)n3)cc2-n2cnc(C3CC3)c2)CC1,5.5,8.259637310505756,518.6510000000002,4.324200000000004,1,11,119.54,7,1
CHEMBL5899980,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)cs1,5.5,8.259637310505756,506.59600000000034,2.924500000000001,1,12,128.77,7,1
CHEMBL5908420,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)n1,5.5,8.259637310505756,500.5670000000004,2.8630000000000013,1,11,128.76999999999998,7,1
CHEMBL5866949,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)n1,5.5,8.259637310505756,513.6100000000004,2.778200000000001,1,11,122.77999999999999,7,1
CHEMBL5880103,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,429.4880000000002,3.3348200000000014,1,9,116.3,6,1
CHEMBL6049835,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,445.48700000000025,2.30722,2,10,136.53000000000003,7,1
CHEMBL6015054,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.754920000000003,1,9,116.3,5,1
CHEMBL5811119,CC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C(C)(C)C)c3)c(C)cn2)n1,5.5,8.259637310505756,459.5580000000003,4.145020000000003,1,9,116.3,6,1
CHEMBL6015054,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.754920000000003,1,9,116.3,5,1
CHEMBL5797949,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,461.53000000000026,2.7273200000000006,2,10,136.53000000000003,6,1
CHEMBL5955292,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,465.4680000000002,3.964000000000002,1,9,116.3,7,1
CHEMBL6001900,CC(CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,481.4670000000002,2.936400000000001,2,10,136.53000000000003,8,1
CHEMBL5911029,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)cs1,5.5,8.259637310505756,471.4970000000001,4.025500000000003,1,10,116.30000000000001,7,1
CHEMBL5946728,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)n1,5.5,8.259637310505756,483.4580000000002,4.045200000000003,1,9,116.3,6,1
CHEMBL5756196,CC(CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)n1,5.5,8.259637310505756,499.4570000000002,3.0176000000000007,2,10,136.53000000000003,7,1
CHEMBL5982209,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)cs1,5.5,8.259637310505756,489.48700000000014,4.106700000000003,1,10,116.30000000000001,6,1
CHEMBL5834380,COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1,5.5,8.259637310505756,458.5260000000001,3.9484200000000023,1,9,112.64,7,1
CHEMBL5985759,COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1,5.5,8.259637310505756,474.52500000000015,2.9208200000000013,2,10,132.87,8,1
CHEMBL5831110,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,446.4900000000003,3.943620000000003,1,8,103.41000000000001,6,1
CHEMBL5970189,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,100.0,7.0,474.4220000000002,4.085020000000003,1,8,103.41000000000001,5,1
CHEMBL6043682,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,429.4880000000002,3.1995200000000015,1,9,116.3,6,1
CHEMBL5971237,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,55.0,7.259637310505756,457.42000000000013,3.3409200000000014,1,9,116.3,5,1
CHEMBL5931015,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.619620000000002,1,9,116.3,5,1
CHEMBL5948166,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,462.5330000000003,4.363720000000003,1,8,103.41000000000001,5,1
CHEMBL5831110,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,100.0,7.0,446.4900000000003,3.943620000000003,1,8,103.41000000000001,6,1
CHEMBL5920294,Cc1cc(F)c(C(=O)Nc2cccc(-n3cnnc3)n2)cc1-n1cnc(C2CC2)c1,100.0,7.0,403.4210000000002,3.4252200000000013,1,7,90.52,5,1
CHEMBL5840554,Cc1cc(F)c(C(=O)Nc2cccc(-n3ccnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,100.0,7.0,444.51400000000024,5.153620000000003,1,6,77.63000000000001,6,1
CHEMBL6026397,Cc1cc(F)c(C(=O)Nc2cccc(-c3cnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL1980995,CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,55.0,7.259637310505756,466.5410000000003,4.354000000000003,2,6,69.45,2,1
CHEMBL5839853,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CN(C(C)(C)C)S3(=O)=O)n1,550.0,6.259637310505756,473.5340000000003,3.010200000000001,1,8,122.96999999999998,4,1
CHEMBL5864758,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CN(C(C)(C)C)S3(=O)=O)n1,55.0,7.259637310505756,489.5330000000003,1.9826,2,9,143.2,5,1
CHEMBL5841936,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)S(=O)(=O)N(C(C)(C)C)C2,5.5,8.259637310505756,501.5690000000003,1.852099999999999,2,10,152.43,6,1
CHEMBL5935371,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(C)(C)C)S3(=O)=O)n1,55.0,7.259637310505756,487.5610000000003,3.0527000000000015,1,8,122.96999999999998,4,1
CHEMBL5797901,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)S(=O)(=O)N(C(C)(C)C)CC2,5.5,8.259637310505756,499.5970000000003,2.922200000000001,1,9,132.20000000000002,5,1
CHEMBL5848641,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)S(=O)(=O)N(C(C)(C)C)C2,1000.0,6.0,485.5700000000003,2.8797000000000015,1,9,132.20000000000002,5,1
CHEMBL5814425,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CN(C(C)(C)C)S3(=O)=O)n1,55.0,7.259637310505756,472.5460000000003,3.6152000000000024,1,7,110.08,4,1
CHEMBL5955115,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)S(=O)(=O)N(C(C)(C)C)C2,1.0,9.0,484.5820000000003,3.484700000000002,1,8,119.30999999999999,5,1
CHEMBL5866501,CC(C)N1Cc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2S1(=O)=O,55.0,7.259637310505756,475.5060000000002,1.5924999999999996,2,9,143.2,6,1
CHEMBL5740915,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)S(=O)(=O)N(C(C)C)C2,1.0,9.0,487.54200000000026,1.461999999999999,2,10,152.43,7,1
CHEMBL6030315,CCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)S(=O)(=O)N(C(C)C)C2,5.5,8.259637310505756,501.56900000000024,1.8520999999999999,2,10,152.43,8,1
CHEMBL5788371,CC(C)N1Cc2cc(OCC(F)(F)F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2S1(=O)=O,550.0,6.259637310505756,555.5390000000001,2.3945,2,10,152.42999999999998,8,1
CHEMBL5804429,CC(C)Oc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)S(=O)(=O)N(C(C)C)C2,55.0,7.259637310505756,515.5960000000001,2.2405999999999997,2,10,152.43,8,1
CHEMBL5917687,CC(C)N1Cc2cc(N(C)C)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2S1(=O)=O,55.0,7.259637310505756,500.5850000000002,1.5193999999999996,2,10,146.44,7,1
CHEMBL5913871,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CN(C)S3(=O)=O)n1,55.0,7.259637310505756,430.4650000000002,2.4465000000000003,1,7,110.08,4,1
CHEMBL5889222,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)S(=O)(=O)N(C)C2,1.0,9.0,442.5010000000002,2.316,1,8,119.30999999999999,5,1
CHEMBL5890653,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CN(C)S3(=O)=O)n1,55.0,7.259637310505756,447.4520000000002,0.8138999999999996,2,9,143.2,5,1
CHEMBL5749172,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)S(=O)(=O)N(C)C2,1.0,9.0,459.4880000000002,0.6833999999999993,2,10,152.43,6,1
CHEMBL5942058,COCCN1Cc2cc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2S1(=O)=O,55.0,7.259637310505756,474.5180000000002,2.4631000000000007,1,8,119.31,7,1
CHEMBL5916270,COCCN1Cc2cc(OC)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2S1(=O)=O,55.0,7.259637310505756,486.5540000000002,2.3326000000000002,1,9,128.54000000000002,8,1
CHEMBL5877479,COCCN1Cc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2S1(=O)=O,1.0,9.0,491.5050000000002,0.8304999999999998,2,10,152.42999999999998,8,1
CHEMBL5981638,COCCN1Cc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2S1(=O)=O,1.0,9.0,503.5410000000002,0.6999999999999995,2,11,161.66,9,1
CHEMBL5568074,CC(C)n1cnnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,50.0,7.301029995663981,439.52300000000025,4.187000000000003,0,7,81.73,5,1
CHEMBL5556467,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2,50.0,7.301029995663981,453.5500000000002,4.495420000000004,0,7,81.73,5,1
CHEMBL6051528,CC(C)n1cnnc1-c1cccc(-n2cc(F)c3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,455.49700000000024,4.427300000000003,0,8,83.42,5,1
CHEMBL5558421,CC(C)n1cnnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,437.5070000000003,4.288200000000003,0,8,83.42,5,1
CHEMBL5562668,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1,50.0,7.301029995663981,425.4960000000002,4.144500000000003,0,7,81.73,5,1
CHEMBL5747293,Cc1cc2ccn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,451.5340000000003,4.596620000000003,0,8,83.42,5,1
CHEMBL5775006,Cc1cc2c(F)cn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,469.52400000000034,4.735720000000003,0,8,83.42,5,1
CHEMBL6019102,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)CC2,50.0,7.301029995663981,451.5340000000003,3.8607200000000024,0,7,81.73,4,1
CHEMBL5788238,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2,50.0,7.301029995663981,465.5610000000003,4.250820000000003,0,7,81.73,4,1
CHEMBL5917186,O=C1c2cc(-n3cnc4c3CCCC4)ccc2CCN1c1cccc(-c2nnc3n2CCCC3)n1,525.0,6.279840696594043,465.5610000000002,3.943800000000003,0,7,81.73,3,1
CHEMBL5825854,Cc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,452.5220000000003,3.991620000000003,0,9,96.31000000000002,5,1
CHEMBL5880311,Cc1nc(C2CC2)cn1-c1ccc2c(c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2,1000.0,6.0,465.5610000000003,4.250820000000003,0,7,81.73,4,1
CHEMBL5560504,CC(C)n1cnnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,438.4950000000003,3.683200000000002,0,9,96.30999999999999,5,1
CHEMBL5881886,Cc1cc2ncn(-c3cccc(-c4nnc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,525.0,6.279840696594043,464.5330000000003,3.7470200000000027,0,9,96.31000000000002,4,1
CHEMBL5972794,Cc1cc2ncn(-c3cccc(-c4nnc(C)n4C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,1000.0,6.0,438.49500000000023,3.256140000000002,0,9,96.31000000000002,4,1
CHEMBL5790739,Cc1cc2ncn(-c3cccc(-c4nnc(C)n4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,525.0,6.279840696594043,466.5490000000003,4.300040000000004,0,9,96.31000000000002,5,1
CHEMBL5947207,Cc1cc2c(F)cn(-c3cccc(-c4nnc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,525.0,6.279840696594043,481.53500000000037,4.491120000000003,0,8,83.42,4,1
CHEMBL5939814,Cc1cc2ncn(-c3cccc(-c4nncn4C4CC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,450.5060000000003,3.7456200000000024,0,9,96.31000000000002,5,1
CHEMBL5838350,Cc1cc2ncn(-c3cccc(-c4nncn4CC(F)(F)F)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,492.46500000000026,3.9730200000000018,0,9,96.31000000000002,5,1
CHEMBL5921560,Cc1nnc(-c2cccc(-n3cnc4cc(C)c(-n5cnc(C6CC6)c5)cc4c3=O)n2)o1,1000.0,6.0,425.4520000000002,3.510640000000002,0,9,104.52000000000001,4,1
CHEMBL5777035,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(Cl)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,472.9400000000003,4.336600000000003,0,9,96.30999999999999,5,1
CHEMBL6012417,CCc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,466.5490000000003,4.245600000000003,0,9,96.31000000000002,6,1
CHEMBL5963900,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(-c4ccccc4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,514.5930000000003,5.350200000000005,0,9,96.30999999999999,6,1
CHEMBL5739608,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(-c4cccnc4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,515.5810000000002,4.745200000000004,0,10,109.2,6,1
CHEMBL5984808,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(-c4ccsc4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,520.6220000000003,5.411700000000005,0,10,96.30999999999999,6,1
CHEMBL5964859,CC(C)n1cnnc1-c1cccc(N2CCc3cc(Cl)c(-n4cnc(C5CC5)c4)cc3C2=O)n1,50.0,7.301029995663981,473.96800000000025,4.840400000000005,0,7,81.73,5,1
CHEMBL6034794,Cc1cc2ncn(-c3cccc(-c4nnc5n4CCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,525.0,6.279840696594043,450.50600000000026,3.3569200000000023,0,9,96.31000000000002,4,1
CHEMBL5938125,COc1nc2cc(C)c(-n3cnc(C4CC4)c3)cc2c(=O)n1-c1cccc(-c2nncn2C(C)C)n1,1000.0,6.0,482.5480000000002,4.000220000000002,0,10,105.54,6,1
CHEMBL5777035,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(Cl)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,472.9400000000003,4.336600000000003,0,9,96.30999999999999,5,1
CHEMBL5827251,COc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,468.5210000000003,3.6918000000000024,0,10,105.54,6,1
CHEMBL5760339,Cc1ccc(-c2cc3ncn(-c4cccc(-c5nncn5C(C)C)n4)c(=O)c3cc2-n2cnc(C3CC3)c2)cn1,50.0,7.301029995663981,529.6080000000003,5.053620000000003,0,10,109.20000000000002,6,1
CHEMBL5943675,COc1ccc(-c2cc3ncn(-c4cccc(-c5nncn5C(C)C)n4)c(=O)c3cc2-n2cnc(C3CC3)c2)cn1,50.0,7.301029995663981,545.6070000000003,4.753800000000003,0,11,118.43,7,1
CHEMBL5988998,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(-c4ccc(N)nc4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,530.5960000000002,4.327400000000003,1,11,135.22000000000003,6,1
CHEMBL5805158,COCCOc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,512.5740000000003,3.708400000000003,0,11,114.77000000000002,9,1
CHEMBL6014005,CC(C)c1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,480.5760000000003,4.806600000000004,0,9,96.31000000000002,6,1
CHEMBL5932034,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCC(N)=O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,511.5460000000004,2.547300000000001,1,11,148.63,8,1
CHEMBL6017220,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,454.49400000000026,3.3888000000000016,1,10,116.54,5,1
CHEMBL5892359,CNC(=O)COc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,525.5730000000003,2.8080000000000007,1,11,134.64,8,1
CHEMBL6031711,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCCCS(C)(=O)=O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,574.6670000000004,3.4967000000000024,0,12,139.68,10,1
CHEMBL5772549,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCCO)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,498.54700000000037,3.0543000000000013,1,11,125.77000000000002,8,1
CHEMBL5764077,Cc1cc2ncn(-c3csc(-c4nncn4C(C)C)c3)c(=O)c2cc1-n1cnc(C2CC2)c1,1000.0,6.0,457.5630000000003,4.658120000000004,0,9,83.42,5,1
CHEMBL5874720,Cc1cc2ncn(-c3cccc(-c4nncn4C(C)C)c3)c(=O)c2cc1-n1cnc(C2CC2)c1,1000.0,6.0,451.5340000000003,4.596620000000004,0,8,83.42,5,1
CHEMBL5963113,Cc1cc2ncn(-c3cccc(-c4nncn4C4CCCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,478.5600000000004,4.525820000000004,0,9,96.31000000000002,5,1
CHEMBL5854181,CCC(CC)n1cnnc1-c1cccc(-n2cnc3cc(C)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,480.5760000000003,4.771820000000004,0,9,96.30999999999999,7,1
CHEMBL5886764,Cc1cc2ncn(-c3csc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,458.5510000000003,4.053120000000003,0,10,96.31000000000002,5,1
CHEMBL5904285,Cc1cc2ncn(-c3cccc(-c4nncn4C(C)(C)C)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,466.5490000000003,4.165720000000004,0,9,96.31000000000002,4,1
CHEMBL5753906,Cc1cc2ncn(-c3cccc(-c4nncn4C4CCOCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,525.0,6.279840696594043,494.5590000000004,3.762220000000003,0,10,105.54,5,1
CHEMBL5784356,Cc1cc2ncn(-c3cccc(-c4nncn4C4CCC(F)(F)CC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,525.0,6.279840696594043,528.5670000000003,5.161120000000004,0,9,96.31000000000002,5,1
CHEMBL5966615,Cc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-n1cnc(-c2ccccc2)c1,50.0,7.301029995663981,488.55500000000023,4.781220000000004,0,9,96.31000000000002,5,1
CHEMBL5794860,Cc1cc2ncn(-c3cccc(-c4nncn4C4CCCCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,492.58700000000044,4.915920000000004,0,9,96.31000000000002,5,1
CHEMBL5956137,Cc1cc2ncn(-c3cccc(-c4nncn4C(C)C)n3)c(=O)c2cc1-c1ccc(C(C)C)nc1,50.0,7.301029995663981,465.56100000000026,5.113920000000005,0,8,91.38000000000001,5,1
CHEMBL5944265,CCc1cn(-c2cc3c(=O)n(-c4cccc(-c5nncn5C(C)C)n4)cnc3cc2C)cn1,50.0,7.301029995663981,440.51100000000014,3.6766200000000024,0,9,96.31,5,1
CHEMBL5958780,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCCCF)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,514.5650000000004,4.421600000000003,0,10,105.54,9,1
CHEMBL5942325,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(N(C)C)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,481.5640000000003,3.7492000000000028,0,10,99.55,6,1
CHEMBL5825159,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(N4CCOCC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,523.6010000000005,3.5198000000000027,0,11,108.78000000000002,6,1
CHEMBL5762686,Cc1cc2ncn(-c3cccc(-c4nncn4C(C)CO)n3)c(=O)c2cc1-n1cnc(C2CC2)c1,50.0,7.301029995663981,468.5210000000003,2.9640200000000014,1,10,116.54,6,1
CHEMBL5791047,CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCC4COC4)c(-n4cnc(C5CC5)c4)cc3c2=O)n1,50.0,7.301029995663981,524.5850000000004,3.708400000000003,0,11,114.77000000000002,8,1
CHEMBL5560251,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.8,8.236572006437063,458.49700000000024,4.661420000000002,1,7,86.86,4,1
CHEMBL5563860,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,9.1,8.040958607678906,458.49700000000024,4.661420000000002,1,7,86.86,4,1
CHEMBL5798029,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](C)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,5.7,8.244125144327509,459.48500000000024,4.056420000000003,1,8,99.74999999999999,4,1
CHEMBL5750746,C[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)cccc2-c2nnnn21,5.7,8.244125144327509,428.4560000000001,3.0039000000000016,1,9,112.63999999999999,4,1
CHEMBL6037560,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,5.8,8.236572006437063,459.48500000000024,4.056420000000003,1,8,99.74999999999999,4,1
CHEMBL5769293,C[C@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)cccc2-c2nnnn21,7.7,8.113509274827518,428.4560000000001,3.0039000000000016,1,9,112.63999999999999,4,1
CHEMBL5542733,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cnnc2-3)cc1-n1cnc(C2CC2)c1,8.5,8.070581074285707,444.4700000000002,4.100420000000002,1,7,86.86,4,1
CHEMBL5565597,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C2CC2)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,11.7,7.931814138253839,484.5350000000003,5.051520000000003,1,7,86.86,5,1
CHEMBL5559998,Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.6,8.2518119729938,472.5240000000002,4.8355200000000025,1,7,86.86,4,1
CHEMBL5559703,Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,0.5,9.301029995663981,470.50800000000027,4.589520000000002,1,7,86.86,4,1
CHEMBL5861580,C[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)cccc2-c2nncn21,5.4,8.267606240177031,427.4680000000001,3.608900000000002,1,8,99.75,4,1
CHEMBL6032066,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C2CC2)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,4.7,8.327902142064282,485.5230000000003,4.446520000000003,1,8,99.74999999999999,5,1
CHEMBL5976522,Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,5.2,8.2839966563652,473.5120000000002,4.230520000000003,1,8,99.74999999999999,4,1
CHEMBL5988978,Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,4.2,8.3767507096021,471.49600000000027,3.9845200000000025,1,8,99.74999999999999,4,1
CHEMBL6000490,O=C(Nc1cccc2c1OCC(CO)n1cnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,5.8,8.236572006437063,443.4670000000002,2.5813000000000006,2,9,119.97999999999999,5,1
CHEMBL5557861,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.2,8.2839966563652,474.49600000000027,3.633820000000002,2,8,107.08999999999999,5,1
CHEMBL5747527,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](CO)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,10.9,7.962573502059376,475.48400000000026,3.0288200000000005,2,9,119.98,5,1
CHEMBL5940268,O=C(Nc1cccc2c1OC[C@@H](CO)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,11.6,7.935542010773082,444.4550000000002,1.9762999999999993,2,10,132.87,5,1
CHEMBL5957194,C[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CCOCC4)cn3)cccc2-c2nnnn21,2.2,8.657577319177793,513.5620000000002,2.8405000000000014,1,11,125.11000000000001,5,1
CHEMBL5972583,O=C(Nc1cccc2c1OCC1(CC1)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1,6.0,8.221848749616356,525.5730000000003,2.768600000000001,1,11,125.10999999999999,5,1
CHEMBL5777639,O=C(Nc1cccc2c1OCCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1,6.0,8.221848749616356,499.53500000000037,2.2794999999999996,1,11,125.10999999999999,5,1
CHEMBL5895109,C[C@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CCOCC4)cn3)cccc2-c2nnnn21,0.6,9.221848749616356,513.5620000000002,2.8405000000000014,1,11,125.11000000000001,5,1
CHEMBL5802582,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,0.9,9.045757490560675,475.48400000000026,3.0288200000000005,2,9,119.98,5,1
CHEMBL5968368,O=C(Nc1cccc2c1OC[C@H](CO)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,6.2,8.207608310501746,444.4550000000002,1.9762999999999993,2,10,132.87,5,1
CHEMBL5840263,O=C(Nc1cccc2c1OCC1(CC1)n1cnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1,3.3,8.481486060122112,524.5850000000004,3.3736000000000015,1,10,112.22,5,1
CHEMBL5926940,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CF)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,8.0,8.096910013008056,477.47500000000025,4.006020000000003,1,8,99.74999999999999,5,1
CHEMBL5762452,O=C(Nc1cccc2c1OC[C@H](CF)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,6.8,8.167491087293763,446.4460000000002,2.953500000000001,1,9,112.63999999999999,5,1
CHEMBL5527956,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](CF)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,4.5,8.346787486224656,476.48700000000025,4.611020000000003,1,7,86.86,5,1
CHEMBL5870054,O=C(Nc1cccc2c1OC[C@@H](CF)n1cnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,4.1,8.387216143280265,445.4580000000002,3.5585000000000013,1,8,99.75,5,1
CHEMBL6038570,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](CF)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,4.5,8.346787486224656,477.47500000000025,4.006020000000003,1,8,99.74999999999999,5,1
CHEMBL5858494,O=C(Nc1cccc2c1OC[C@@H](CF)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,5.7,8.244125144327509,446.4460000000002,2.953500000000001,1,9,112.63999999999999,5,1
CHEMBL5532459,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CF)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,3.1,8.508638306165727,476.48700000000025,4.611020000000003,1,7,86.86,5,1
CHEMBL5872057,O=C(Nc1cccc2c1OC[C@H](CF)n1cnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,4.1,8.387216143280265,445.4580000000002,3.5585000000000013,1,8,99.75,5,1
CHEMBL5555321,Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@H](C)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1,4.1,8.387216143280265,458.49700000000024,4.488920000000002,1,7,86.86,4,1
CHEMBL5568596,Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@@H](C)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1,2.5,8.602059991327963,458.49700000000024,4.488920000000002,1,7,86.86,4,1
CHEMBL6013421,CC1(C)COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CCOCC4)cn3)cccc2-c2nncn21,5.6,8.2518119729938,526.6010000000003,3.619600000000002,1,10,112.22,5,1
CHEMBL6039009,CC1(C)COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CCOCC4)cn3)cccc2-c2nnnn21,0.5,9.301029995663981,527.5890000000003,3.0146000000000015,1,11,125.11000000000001,5,1
CHEMBL5760486,C[C@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CCOCC4)cn3)cccc2-c2nncn21,0.6,9.221848749616356,512.5740000000003,3.445500000000002,1,10,112.22,5,1
CHEMBL5832635,C[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CCOCC4)cn3)cccc2-c2nncn21,5.5,8.259637310505756,512.5740000000003,3.445500000000002,1,10,112.22,5,1
CHEMBL5559492,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2nncc2-3)cc1-n1cnc(C2CC2)c1,0.5,9.301029995663981,444.4700000000002,4.100420000000002,1,7,86.86,4,1
CHEMBL5559120,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cncc2-3)cc1-n1cnc(C2CC2)c1,5.7,8.244125144327509,443.4820000000002,4.705420000000003,1,6,73.97,4,1
CHEMBL5937514,Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@@H](C)Cn2nnnc2-3)cc1-n1cnc(C2CC2)c1,16.8,7.774690718274137,459.48500000000024,3.8839200000000016,1,8,99.74999999999999,4,1
CHEMBL5803572,Cc1cc(F)c(C(=O)Nc2cccc3c2O[C@H](C)Cn2nnnc2-3)cc1-n1cnc(C2CC2)c1,0.9,9.045757490560675,459.48500000000024,3.8839200000000016,1,8,99.74999999999999,4,1
CHEMBL5939872,O=C(Nc1cccc2c1OCCn1cnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1,15.6,7.806875401645538,498.54700000000037,2.884500000000001,1,10,112.22,5,1
CHEMBL5559764,Cc1cc(F)c(C(=O)Nc2cccc3c2OC2(CC2)Cn2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.3,8.275724130399212,470.50800000000027,4.633020000000002,1,7,86.86,4,1
CHEMBL6017782,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](C)n2cncc2-3)cc1-n1cnc(C2CC2)c1,15.1,7.82102305270683,457.50900000000024,5.266420000000004,1,6,73.97,4,1
CHEMBL5932761,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C)n2cncc2-3)cc1-n1cnc(C2CC2)c1,6.8,8.167491087293763,457.50900000000024,5.266420000000004,1,6,73.97,4,1
CHEMBL5840351,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H]([C@H](C)O)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,5.1,8.292429823902063,489.51100000000025,3.417320000000001,2,9,119.98,5,1
CHEMBL5917404,C[C@@H]1Cn2cnnc2-c2cccc(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)c2O1,24.7,7.607303046740334,427.4680000000002,3.4364000000000017,1,8,99.75000000000001,4,1
CHEMBL5747375,O=C(Nc1cccc2c1OCCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,3.9,8.4089353929735,414.42900000000014,2.4429,1,9,112.63999999999999,4,1
CHEMBL5931324,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cnc(C)c2-3)cc1-n1cnc(C2CC2)c1,307.0,6.512861624522813,457.50900000000024,5.013840000000003,1,6,73.97,4,1
CHEMBL5917404,C[C@@H]1Cn2cnnc2-c2cccc(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)c2O1,5.9,8.229147988357855,427.4680000000002,3.4364000000000017,1,8,99.75000000000001,4,1
CHEMBL6047707,Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H]([C@@H](C)O)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,6.4,8.193820026016112,489.51100000000025,3.417320000000001,2,9,119.98,5,1
CHEMBL5951949,CN1CCN(c2cnc(C(=O)Nc3cccc4c3OCCn3nnnc3-4)cc2-n2cnc(C3CC3)c2)CC1,5.9,8.229147988357855,512.5780000000003,2.194699999999999,1,11,119.12000000000002,5,1
CHEMBL6036840,C[C@@H]1CN(c2cnc(C(=O)Nc3cccc4c3OCCn3nnnc3-4)cc2-n2cnc(C3CC3)c2)CCO1,2.1,8.67778070526608,513.5620000000004,2.668000000000001,1,11,125.11000000000001,5,1
CHEMBL5866915,O=C(Nc1cccc2c1OCCn1cnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1,35.2,7.453457336521869,413.44100000000014,3.047900000000001,1,8,99.75,4,1
CHEMBL6065855,O=C(Nc1cccc2c1OCCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CC[C@@H](O)C2)cn1,4.7,8.327902142064282,499.5350000000003,2.0138999999999996,2,11,136.10999999999999,5,1
CHEMBL5963556,O=C(Nc1cccc2c1OCCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCC2)cn1,3.2,8.494850021680094,469.5090000000003,2.6530000000000005,1,10,115.87999999999998,5,1
CHEMBL5823488,Cc1cc(F)c(C(=O)Nc2cccc3c2OC2(CC2)Cn2nnnc2-3)cc1-n1cnc(C2CC2)c1,4.2,8.3767507096021,471.49600000000027,4.028020000000002,1,8,99.74999999999999,4,1
CHEMBL5993044,CN(C)c1cnc(C(=O)Nc2cccc3c2OCCn2nnnc2-3)cc1-n1cnc(C2CC2)c1,6.9,8.161150909262744,457.49800000000016,2.5089000000000006,1,10,115.88000000000001,5,1
CHEMBL5870162,O=C(Nc1cccc2c1OCCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CC[C@H](O)C2)cn1,3.5,8.455931955649724,499.5350000000003,2.0138999999999996,2,11,136.10999999999999,5,1
CHEMBL5992807,O=C(Nc1cccc2c1OCCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2C[C@H]3C[C@@H]2CO3)cn1,5.1,8.292429823902063,511.54600000000033,2.4204,1,11,125.10999999999999,5,1
CHEMBL5944643,CC1(O)CCN(c2cnc(C(=O)Nc3cccc4c3OCCn3nnnc3-4)cc2-n2cnc(C3CC3)c2)C1,2.7,8.568636235841012,513.5620000000004,2.404,2,11,136.11,5,1
CHEMBL5767018,O=C(Nc1cccc2c1OCCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2C[C@@H]3C[C@H]2CO3)cn1,3.9,8.4089353929735,511.54600000000033,2.4204,1,11,125.10999999999999,5,1
CHEMBL5769915,C[C@H]1COCCN1c1cnc(C(=O)Nc2cccc3c2OCCn2nnnc2-3)cc1-n1cnc(C2CC2)c1,3.3,8.481486060122112,513.5620000000004,2.668000000000001,1,11,125.11,5,1
CHEMBL5825771,C[C@H]1CN(c2cnc(C(=O)Nc3cccc4c3OCCn3nnnc3-4)cc2-n2cnc(C3CC3)c2)CCO1,6.0,8.221848749616356,513.5620000000004,2.668000000000001,1,11,125.11000000000001,5,1
CHEMBL5767284,CC1(O)CN(c2cnc(C(=O)Nc3cccc4c3OCCn3nnnc3-4)cc2-n2cnc(C3CC3)c2)C1,2.6,8.585026652029182,499.53500000000037,2.0138999999999996,2,11,136.11,5,1
CHEMBL6002351,CC(C)Oc1cnc(C(=O)Nc2cccc3c2OCCn2nnnc2-3)cc1-n1cnc(C2CC2)c1,1.8,8.744727494896694,472.5090000000003,3.230100000000002,1,10,121.86999999999999,6,1
CHEMBL5919456,CC(C)Oc1cnc(C(=O)Nc2cccc3c2OC[C@@H](C)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,4.1,8.387216143280265,486.5360000000003,3.791100000000003,1,10,121.86999999999999,6,1
CHEMBL5811386,C[C@@H]1COCCN1c1cnc(C(=O)Nc2cccc3c2OCCn2nnnc2-3)cc1-n1cnc(C2CC2)c1,2.2,8.657577319177793,513.5620000000004,2.668000000000001,1,11,125.11,5,1
CHEMBL6037506,CC(C)Oc1cnc(C(=O)Nc2cccc3c2OC[C@H](C)n2nnnc2-3)cc1-n1cnc(C2CC2)c1,5.3,8.275724130399212,486.5360000000003,3.791100000000003,1,10,121.86999999999999,6,1
CHEMBL5946760,Cc1cc(F)c(C(=O)Nc2cccc3c2OC2(CCC2)Cn2nnnc2-3)cc1-n1cnc(C2CC2)c1,11.6,7.935542010773082,485.5230000000003,4.418120000000003,1,8,99.74999999999999,4,1
CHEMBL6003684,CC(C)Oc1cnc(C(=O)Nc2cccc3c2OCCn2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.8,8.236572006437063,471.5210000000003,3.8351000000000024,1,9,108.98,6,1
CHEMBL5760060,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2cnc(Br)c2-3)cc1-n1cnc(C2CC2)c1,39.8,7.400116927926312,522.3780000000003,5.467920000000004,1,6,73.97,4,1
CHEMBL5981430,C[C@@H]1CN(c2cnc(C(=O)Nc3cccc4c3OC[C@@H](C)n3nnnc3-4)cc2-n2cnc(C3CC3)c2)CCO1,4.0,8.397940008672037,527.5890000000003,3.229000000000002,1,11,125.11000000000001,5,1
CHEMBL6023614,C[C@@H]1CN(c2cnc(C(=O)Nc3cccc4c3OC[C@H](C)n3nnnc3-4)cc2-n2cnc(C3CC3)c2)CCO1,3.2,8.494850021680094,527.5890000000003,3.229000000000002,1,11,125.11000000000001,5,1
CHEMBL5906830,C[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CC[C@@H](O)C4)cn3)cccc2-c2nnnn21,4.7,8.327902142064282,513.5620000000002,2.5749000000000004,2,11,136.11,5,1
CHEMBL6032788,C[C@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)c(N4CC[C@@H](O)C4)cn3)cccc2-c2nnnn21,4.7,8.327902142064282,513.5620000000002,2.5749000000000004,2,11,136.11,5,1
CHEMBL5558305,Cc1cc(F)c(C(=O)Nc2cccc3c2OCCn2nnnc2-3)cc1-n1cnc(C2CC2)c1,6.6,8.18045606445813,445.4580000000002,3.495420000000002,1,8,99.74999999999999,4,1
CHEMBL5967402,C[C@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)cccc2-c2nncn21,5.7,8.244125144327509,427.4680000000001,3.608900000000002,1,8,99.75,4,1
CHEMBL5813814,Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(CF)n2cnnc2-3)cc1-n1cnc(C2CC2)c1,5.7,8.244125144327509,476.48700000000025,4.611020000000003,1,7,86.86,5,1
CHEMBL6051225,CCOC(=O)C1CC1c1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)cc1C,5.5,8.259637310505756,451.5020000000002,4.287420000000004,1,7,99.00000000000001,7,1
CHEMBL5758894,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C(=O)O,10.0,8.0,423.4480000000002,3.8089200000000014,2,6,110.00000000000001,6,1
CHEMBL6033049,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C(=O)NC1CC1,10.0,8.0,462.5290000000003,4.002920000000001,2,6,101.80000000000001,7,1
CHEMBL5884702,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)OC(C)(C)C,5.5,8.259637310505756,494.5710000000003,5.001420000000004,2,7,111.03000000000002,6,1
CHEMBL6014912,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)N1CCC(F)(F)C1,10.0,8.0,527.5510000000003,4.527320000000002,2,6,105.04,6,1
CHEMBL5968651,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)c1ccc(F)cc1,10.0,8.0,516.5520000000002,5.0458200000000035,2,6,101.80000000000001,7,1
CHEMBL5755072,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NS(=O)(=O)N(C)C,10.0,8.0,501.58800000000025,2.87272,2,7,122.11,8,1
CHEMBL5740862,Cc1cnc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)OC(C)(C)C,10.0,8.0,477.5690000000003,4.2573200000000035,2,8,123.92000000000003,6,1
CHEMBL6039035,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1C1CC(NC(=O)OC(C)(C)C)C1,10.0,8.0,508.58300000000037,3.014820000000001,3,10,157.04,7,1
CHEMBL5986111,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1C1CC1NC(=O)OC(C)(C)C,5.5,8.259637310505756,495.5590000000003,4.3964200000000035,2,8,123.92000000000003,6,1
CHEMBL6019875,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NS(=O)(=O)C1CC1,5.5,8.259637310505756,498.5840000000003,3.5585200000000006,2,7,118.87,8,1
CHEMBL5771696,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C(=O)N1CCC(F)(F)C1,10.0,8.0,512.5360000000003,4.5919200000000036,1,6,93.01,6,1
CHEMBL5745653,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)N(C)CCC(F)(F)F,10.0,8.0,547.5570000000004,5.070520000000004,2,6,105.04,8,1
CHEMBL5764364,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)C(C)(C)C,10.0,8.0,478.5720000000003,4.639020000000003,2,6,101.80000000000001,6,1
CHEMBL5759581,CCC1CC1c1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)ncc1C,5.5,8.259637310505756,390.4910000000001,4.390220000000003,1,6,85.59,6,1
CHEMBL5765525,COc1cc(C)c(C2CC2C(=O)N2CCC(F)(F)C2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.5,8.259637310505756,524.5720000000002,4.461420000000004,1,7,102.24,7,1
CHEMBL5995601,COc1cc(C)c(C2CC2NC(=O)OC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.5,8.259637310505756,518.4960000000002,4.592220000000003,2,8,120.26,7,1
CHEMBL6037715,COc1cc(C)c(C2CC2NC(=O)NCCC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.5,8.259637310505756,545.566,4.597820000000003,3,7,123.06000000000002,9,1
CHEMBL6026348,Cc1cnc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)OCC(F)(F)F,10.0,8.0,503.48500000000024,4.0211200000000025,2,8,123.92000000000003,7,1
CHEMBL5979192,COc1cc(C)c(C2CC2NS(=O)(=O)N(C)C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.5,8.259637310505756,513.6240000000003,2.7422200000000005,2,8,131.34000000000003,9,1
CHEMBL5775052,COc1cc(C)c(C2CC2NS(=O)(=O)CCC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.5,8.259637310505756,566.6060000000001,4.218020000000003,2,8,128.10000000000002,10,1
CHEMBL5773215,COc1cc(C)c(C2CC2NC(=O)c2ccc(F)cc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.5,8.259637310505756,528.5880000000002,4.915320000000004,2,7,111.02999999999999,8,1
CHEMBL5759997,COc1cc(C)c(C2CC2NC(=O)C(C)(C)C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1,5.5,8.259637310505756,490.60800000000023,4.508520000000003,2,7,111.02999999999999,7,1
CHEMBL5743224,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@H](C)CO)n2)cc1C1CC1C(=O)N1CCC(F)(F)C1,5.5,8.259637310505756,528.5350000000003,3.564320000000002,2,7,113.24,7,1
CHEMBL6031744,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@H](C)CO)n2)cc1C1CC1NC(=O)OCC(F)(F)F,10.0,8.0,536.4860000000003,3.7376200000000015,3,8,131.26,8,1
CHEMBL5885595,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@H](C)CO)n2)cc1C1CC1NC(=O)N(C)CCC(F)(F)F,5.5,8.259637310505756,563.5560000000005,4.042920000000002,3,7,125.27,9,1
CHEMBL6042134,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@H](C)CO)n2)cc1C1CC1NS(=O)(=O)CCC(F)(F)F,5.5,8.259637310505756,570.5690000000004,3.320920000000001,3,8,139.1,10,1
CHEMBL5841847,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@H](C)CO)n2)cc1C1CC1NS(=O)(=O)N(C)C,5.5,8.259637310505756,517.5870000000002,1.8451199999999992,3,8,142.34,9,1
CHEMBL6035445,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@H](C)CO)n2)cc1C1CC1NC(=O)C(C)(C)C,5.5,8.259637310505756,494.5710000000003,3.6114200000000016,3,7,122.03,7,1
CHEMBL6051225,CCOC(=O)C1CC1c1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)cc1C,10.0,8.0,451.5020000000002,4.287420000000004,1,7,99.00000000000001,7,1
CHEMBL5772652,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,446.49000000000024,4.078920000000003,1,8,103.41000000000001,6,1
CHEMBL5903369,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,444.4740000000003,3.8329200000000023,1,8,103.41000000000001,6,1
CHEMBL5827689,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3(C)CC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,458.5010000000003,4.0070200000000025,1,8,103.41000000000001,6,1
CHEMBL5909410,CC(=O)OCC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL5909410,CC(=O)OCC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL6040656,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,550.0,6.259637310505756,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL5849541,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,462.48900000000026,3.0513200000000014,2,9,123.64000000000003,7,1
CHEMBL5995663,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CCCC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,472.52800000000036,4.613120000000003,1,8,103.41000000000001,6,1
CHEMBL6002542,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,460.5170000000003,4.154020000000003,1,8,103.41000000000001,7,1
CHEMBL5995580,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CCC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,458.5010000000003,4.2230200000000035,1,8,103.41000000000001,6,1
CHEMBL5973729,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CC(F)(F)C3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,494.4810000000003,4.468220000000002,1,8,103.41000000000001,6,1
CHEMBL5959145,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(F)F)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,468.4430000000002,3.7631200000000025,1,8,103.41000000000001,7,1
CHEMBL5957414,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(C)(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.5440000000003,4.544120000000003,1,8,103.41000000000001,6,1
CHEMBL5783318,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CF)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,464.48000000000025,4.028520000000003,1,8,103.41000000000001,7,1
CHEMBL5851667,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H](C)CF)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,464.48000000000025,4.028520000000003,1,8,103.41000000000001,7,1
CHEMBL5926416,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,500.4600000000002,4.6213200000000025,1,8,103.41000000000001,6,1
CHEMBL5748729,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCOC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.4594200000000015,1,9,112.64000000000003,6,1
CHEMBL5844895,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3CCOC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.4594200000000015,1,9,112.64000000000003,6,1
CHEMBL5814645,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C(=O)O)n2)cc1-n1cnc(C2CC2)c1,550.0,6.259637310505756,476.47200000000026,3.143620000000001,2,9,140.71000000000004,7,1
CHEMBL5834841,CC(=O)NC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,55.0,7.259637310505756,503.5420000000003,3.195120000000002,2,9,132.51000000000002,8,1
CHEMBL5934268,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3C[C@@H](O)C3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.5000000000003,3.1938200000000014,2,9,123.64000000000003,6,1
CHEMBL6005817,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CCO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,476.5160000000003,3.4414200000000017,2,9,123.64000000000003,8,1
CHEMBL5839539,CC(=O)OCC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,518.5530000000002,4.012220000000003,1,10,129.71,9,1
CHEMBL6015111,CCCC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,55.0,7.259637310505756,532.5800000000003,4.402320000000003,1,10,129.71,10,1
CHEMBL5772302,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)COC(=O)c3ccccc3)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,566.5970000000001,4.916020000000004,1,10,129.71000000000004,9,1
CHEMBL5945418,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(CO)CO)n2)cc1-n1cnc(C2CC2)c1,1.0,9.0,478.4880000000003,2.023719999999999,3,10,143.87,8,1
CHEMBL5777221,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,55.0,7.259637310505756,474.42200000000014,4.220320000000003,1,8,103.41000000000001,5,1
CHEMBL5909662,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(F)(F)F)c1,5.5,8.259637310505756,490.42100000000016,3.1927200000000013,2,9,123.64000000000003,6,1
CHEMBL5846515,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,462.53300000000024,4.499020000000003,1,8,103.41000000000001,5,1
CHEMBL5805615,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C(C)(C)C)c3)c(C)cc2F)n1,5.5,8.259637310505756,520.5690000000003,4.042220000000003,1,10,129.71,7,1
CHEMBL5844537,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cc2F)n1,5.5,8.259637310505756,482.4700000000002,4.7081000000000035,1,8,103.41,7,1
CHEMBL6062879,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cc2F)n1,5.5,8.259637310505756,498.4690000000002,3.680500000000002,2,9,123.64000000000001,8,1
CHEMBL5928360,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(CO)cc2F)n1,5.5,8.259637310505756,478.4880000000003,2.2352,3,10,143.87,8,1
CHEMBL5946825,Cc1cc(F)c(C(=O)Nc2ccnc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,447.47800000000024,3.4739200000000015,1,9,116.3,6,1
CHEMBL5931390,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,445.50200000000024,4.683920000000003,1,7,90.52000000000002,6,1
CHEMBL5954751,Cc1cc(F)c(C(=O)Nc2ccnc(-c3nnn[nH]3)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,405.39700000000016,2.41962,2,8,127.16000000000001,5,1
CHEMBL5986352,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cc2F)n1,5.5,8.259637310505756,500.4600000000002,4.789300000000003,1,8,103.41,6,1
CHEMBL5898390,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1,5.5,8.259637310505756,439.48000000000013,3.227000000000001,1,10,116.30000000000001,6,1
CHEMBL6007677,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)n1,5.5,8.259637310505756,433.4510000000002,3.1655000000000015,1,9,116.3,6,1
CHEMBL5777130,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)n1,55.0,7.259637310505756,498.5950000000004,4.016700000000003,1,10,119.53999999999999,7,1
CHEMBL6003479,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1,55.0,7.259637310505756,504.62400000000036,4.078200000000003,1,11,119.54,7,1
CHEMBL5751315,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)cs1,5.5,8.259637310505756,490.5970000000003,3.688100000000002,1,11,119.54,7,1
CHEMBL5945152,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)n1,5.5,8.259637310505756,484.5680000000004,3.6266000000000025,1,10,119.53999999999999,7,1
CHEMBL5768799,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)cs1,5.5,8.259637310505756,519.6390000000004,2.8397000000000006,1,12,122.78,7,1
CHEMBL5899980,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)cs1,5.5,8.259637310505756,506.59600000000034,2.924500000000001,1,12,128.77,7,1
CHEMBL5908420,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)n1,5.5,8.259637310505756,500.5670000000004,2.8630000000000013,1,11,128.76999999999998,7,1
CHEMBL5866949,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)n1,5.5,8.259637310505756,513.6100000000004,2.778200000000001,1,11,122.77999999999999,7,1
CHEMBL5880103,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,429.4880000000002,3.3348200000000014,1,9,116.3,6,1
CHEMBL6049835,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,445.48700000000025,2.30722,2,10,136.53000000000003,7,1
CHEMBL5782278,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,5.5,8.259637310505756,457.42000000000013,3.4762200000000023,1,9,116.3,5,1
CHEMBL5888137,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(F)(F)F)c1,5.5,8.259637310505756,473.41900000000015,2.44862,2,10,136.53000000000003,6,1
CHEMBL6015054,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.754920000000003,1,9,116.3,5,1
CHEMBL5797949,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,461.53000000000026,2.7273200000000006,2,10,136.53000000000003,6,1
CHEMBL5955292,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,465.4680000000002,3.964000000000002,1,9,116.3,7,1
CHEMBL6001900,CC(CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,481.4670000000002,2.936400000000001,2,10,136.53000000000003,8,1
CHEMBL5911029,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)cs1,5.5,8.259637310505756,471.4970000000001,4.025500000000003,1,10,116.30000000000001,7,1
CHEMBL5946728,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)n1,5.5,8.259637310505756,483.4580000000002,4.045200000000003,1,9,116.3,6,1
CHEMBL5756196,CC(CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)n1,5.5,8.259637310505756,499.4570000000002,3.0176000000000007,2,10,136.53000000000003,7,1
CHEMBL5982209,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)cs1,5.5,8.259637310505756,489.48700000000014,4.106700000000003,1,10,116.30000000000001,6,1
CHEMBL5834380,COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1,5.5,8.259637310505756,458.5260000000001,3.9484200000000023,1,9,112.64,7,1
CHEMBL5985759,COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1,5.5,8.259637310505756,474.52500000000015,2.9208200000000013,2,10,132.87,8,1
CHEMBL5831110,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,446.4900000000003,3.943620000000003,1,8,103.41000000000001,6,1
CHEMBL5970189,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,550.0,6.259637310505756,474.4220000000002,4.085020000000003,1,8,103.41000000000001,5,1
CHEMBL6043682,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,429.4880000000002,3.1995200000000015,1,9,116.3,6,1
CHEMBL5971237,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,55.0,7.259637310505756,457.42000000000013,3.3409200000000014,1,9,116.3,5,1
CHEMBL5931015,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.619620000000002,1,9,116.3,5,1
CHEMBL5948166,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,462.5330000000003,4.363720000000003,1,8,103.41000000000001,5,1
CHEMBL5945186,Cc1cc(F)c(C(=O)Nc2cccc(-n3cnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,445.5020000000003,4.548620000000003,1,7,90.52,6,1
CHEMBL5920294,Cc1cc(F)c(C(=O)Nc2cccc(-n3cnnc3)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,403.4210000000002,3.4252200000000013,1,7,90.52,5,1
CHEMBL5840554,Cc1cc(F)c(C(=O)Nc2cccc(-n3ccnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,444.51400000000024,5.153620000000003,1,6,77.63000000000001,6,1
CHEMBL6026397,Cc1cc(F)c(C(=O)Nc2cccc(-c3cnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,445.50200000000024,4.683920000000002,1,7,90.52,6,1
CHEMBL6051570,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)ccn2)n1,55.0,7.259637310505756,415.4610000000002,3.1617000000000015,1,9,116.30000000000001,6,1
CHEMBL6006136,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C2CC2)c1,55.0,7.259637310505756,429.4880000000002,3.4701200000000023,1,9,116.30000000000001,6,1
CHEMBL5901888,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(F)cn2)n1,55.0,7.259637310505756,433.4510000000002,3.3008000000000015,1,9,116.30000000000001,6,1
CHEMBL5855867,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCCC3)cn2)n1,55.0,7.259637310505756,484.5680000000004,3.7619000000000025,1,10,119.54,7,1
CHEMBL5977992,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCCCC3)cn2)n1,55.0,7.259637310505756,498.5950000000004,4.152000000000003,1,10,119.54,7,1
CHEMBL5866924,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCOCC3)cn2)n1,5.5,8.259637310505756,500.5670000000004,2.9983000000000013,1,11,128.77,7,1
CHEMBL5988136,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCN(C)CC3)cn2)n1,5.5,8.259637310505756,513.6100000000004,2.913500000000001,1,11,122.78,7,1
CHEMBL5760409,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(F)cn2)cs1,55.0,7.259637310505756,439.48000000000013,3.362300000000002,1,10,116.3,6,1
CHEMBL5813083,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCCC3)cn2)cs1,5.5,8.259637310505756,490.5970000000003,3.823400000000002,1,11,119.53999999999999,7,1
CHEMBL5809435,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCOCC3)cn2)cs1,5.5,8.259637310505756,506.59600000000034,3.059800000000001,1,12,128.76999999999998,7,1
CHEMBL6022726,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCCCC3)cn2)cs1,55.0,7.259637310505756,504.62400000000036,4.213500000000003,1,11,119.53999999999999,7,1
CHEMBL5854610,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(N3CCN(C)CC3)cn2)cs1,5.5,8.259637310505756,519.6390000000004,2.9750000000000005,1,12,122.77999999999999,7,1
CHEMBL5825193,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,445.48700000000025,2.44252,2,10,136.53000000000003,7,1
CHEMBL5817335,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C(F)(F)F)cn2)n1,55.0,7.259637310505756,483.4580000000002,4.180500000000003,1,9,116.30000000000001,6,1
CHEMBL5824338,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C(F)(F)F)cn2)cs1,55.0,7.259637310505756,489.48700000000014,4.242000000000003,1,10,116.3,6,1
CHEMBL5761589,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C(F)(F)F)cn2)n1,5.5,8.259637310505756,499.4570000000002,3.1529000000000007,2,10,136.53,7,1
CHEMBL5948938,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1,55.0,7.259637310505756,429.4880000000002,3.3348200000000014,1,9,116.30000000000001,6,1
CHEMBL5807345,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,465.4680000000002,4.099300000000003,1,9,116.30000000000001,7,1
CHEMBL5809568,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C(F)F)cn2)cs1,5.5,8.259637310505756,471.4970000000001,4.160800000000003,1,10,116.3,7,1
CHEMBL5763995,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.890220000000003,1,9,116.30000000000001,5,1
CHEMBL5962794,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(C)(C)C)c1,55.0,7.259637310505756,445.53100000000023,3.754920000000003,1,9,116.30000000000001,5,1
CHEMBL5832776,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)(C)C)c1,5.5,8.259637310505756,461.53000000000026,2.8626200000000006,2,10,136.53000000000003,6,1
CHEMBL5850556,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cn(C(C)C)cn1,55.0,7.259637310505756,431.5040000000002,3.7161200000000028,1,9,116.3,6,1
CHEMBL5821268,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cn(C(C)C)cn1,1000.0,6.0,431.5040000000002,3.580820000000002,1,9,116.3,6,1
CHEMBL5875502,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cn(C(C)C)cn1,5.5,8.259637310505756,447.5030000000002,2.6885200000000005,2,10,136.53000000000003,7,1
CHEMBL6004597,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(C)C)c1,5.5,8.259637310505756,431.5040000000002,3.7161200000000028,1,9,116.30000000000001,6,1
CHEMBL5909836,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(C)C)c1,5.5,8.259637310505756,431.5040000000002,3.580820000000002,1,9,116.30000000000001,6,1
CHEMBL5868789,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1,5.5,8.259637310505756,447.5030000000002,2.6885200000000005,2,10,136.53000000000003,7,1
CHEMBL5879715,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,481.4670000000002,3.0717000000000008,2,10,136.53,8,1
CHEMBL5784220,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(F)(F)F)c1,55.0,7.259637310505756,457.42000000000013,3.6115200000000023,1,9,116.30000000000001,5,1
CHEMBL5841644,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(F)(F)F)c1,1000.0,6.0,457.42000000000013,3.4762200000000023,1,9,116.30000000000001,5,1
CHEMBL5996954,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(F)(F)F)c1,5.5,8.259637310505756,473.41900000000015,2.58392,2,10,136.53000000000003,6,1
CHEMBL5921782,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccn(C(C)C)n1,55.0,7.259637310505756,431.5040000000002,3.7161200000000028,1,9,116.3,6,1
CHEMBL6061248,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1ccn(C(C)C)n1,1000.0,6.0,431.5040000000002,3.580820000000002,1,9,116.3,6,1
CHEMBL5744868,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1ccn(C(C)C)n1,5.5,8.259637310505756,447.5030000000002,2.6885200000000005,2,10,136.53000000000003,7,1
CHEMBL5843248,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1,55.0,7.259637310505756,400.44600000000014,3.3337200000000013,1,8,111.37,5,1
CHEMBL5903429,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cccnc1,5.5,8.259637310505756,400.44600000000014,3.3337200000000022,1,8,111.37,5,1
CHEMBL5874729,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccncc1,55.0,7.259637310505756,400.44600000000014,3.3337200000000022,1,8,111.37,5,1
CHEMBL5884989,Cc1ncc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)ncc2C)s1,5.5,8.259637310505756,420.5020000000001,3.7036400000000027,1,9,111.37,5,1
CHEMBL5969086,Cc1nc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)ncc2C)cs1,55.0,7.259637310505756,420.5020000000001,3.7036400000000027,1,9,111.37,5,1
CHEMBL5993205,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cccnc1,5.5,8.259637310505756,416.44500000000016,2.30612,2,9,131.60000000000002,6,1
CHEMBL6034002,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnc(C2CC2)s1,5.5,8.259637310505756,446.54000000000025,4.272620000000003,1,9,111.37,6,1
CHEMBL5935075,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnc(C2CC2)s1,5.5,8.259637310505756,462.53900000000027,3.245020000000002,2,10,131.60000000000002,7,1
CHEMBL5882829,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccc(C2CC2)s1,55.0,7.259637310505756,445.55200000000025,4.877620000000004,1,8,98.48,6,1
CHEMBL6058211,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1ccc(C2CC2)s1,5.5,8.259637310505756,461.5510000000003,3.8500200000000024,2,9,118.71000000000001,7,1
CHEMBL5765961,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,446.49000000000024,4.214220000000003,1,8,103.41000000000003,6,1
CHEMBL5748474,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,462.48900000000026,3.1866200000000013,2,9,123.64000000000001,7,1
CHEMBL5868427,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,446.4900000000003,4.078920000000003,1,8,103.41,6,1
CHEMBL5829777,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(C)C)c1,5.5,8.259637310505756,448.5060000000002,4.460220000000003,1,8,103.41000000000003,6,1
CHEMBL6047520,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1,5.5,8.259637310505756,464.5050000000002,3.432620000000002,2,9,123.64000000000001,7,1
CHEMBL6050522,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(C)C)c1,5.5,8.259637310505756,448.50600000000026,4.324920000000003,1,8,103.41,6,1
CHEMBL5913594,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(C)(C)C)c1,5.5,8.259637310505756,462.53300000000024,4.634320000000003,1,8,103.41000000000003,5,1
CHEMBL6041414,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(C)(C)C)c1,5.5,8.259637310505756,462.5330000000003,4.499020000000003,1,8,103.41,5,1
CHEMBL5852457,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)(C)C)c1,5.5,8.259637310505756,478.53200000000027,3.606720000000002,2,9,123.64000000000001,6,1
CHEMBL6018864,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(F)(F)F)c1,55.0,7.259637310505756,474.42200000000014,4.355620000000003,1,8,103.41000000000003,5,1
CHEMBL6057545,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(F)(F)F)c1,550.0,6.259637310505756,474.4220000000002,4.220320000000003,1,8,103.41,5,1
CHEMBL5932912,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(F)(F)F)c1,5.5,8.259637310505756,490.42100000000016,3.3280200000000013,2,9,123.64000000000001,6,1
CHEMBL6040729,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccn(C(C)C)n1,55.0,7.259637310505756,448.5060000000002,4.460220000000003,1,8,103.41000000000001,6,1
CHEMBL5963884,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1ccn(C(C)C)n1,1000.0,6.0,448.50600000000026,4.324920000000002,1,8,103.41000000000001,6,1
CHEMBL5950807,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1ccn(C(C)C)n1,55.0,7.259637310505756,464.5050000000002,3.432620000000002,2,9,123.64000000000003,7,1
CHEMBL6030573,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cn(C(C)C)cn1,55.0,7.259637310505756,448.5060000000002,4.460220000000003,1,8,103.41000000000001,6,1
CHEMBL5754734,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cn(C(C)C)cn1,1000.0,6.0,448.50600000000026,4.324920000000003,1,8,103.41000000000001,6,1
CHEMBL5831501,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cn(C(C)C)cn1,55.0,7.259637310505756,464.5050000000002,3.432620000000002,2,9,123.64000000000003,7,1
CHEMBL5914598,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1,550.0,6.259637310505756,417.44800000000015,4.077820000000002,1,7,98.48000000000002,5,1
CHEMBL5987372,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cccnc1,5.5,8.259637310505756,417.44800000000015,4.077820000000002,1,7,98.48000000000002,5,1
CHEMBL5887040,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccncc1,55.0,7.259637310505756,417.44800000000015,4.077820000000002,1,7,98.48000000000002,5,1
CHEMBL5858945,Cc1ncc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)s1,55.0,7.259637310505756,437.50400000000013,4.447740000000003,1,8,98.48,5,1
CHEMBL5977033,Cc1nc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)cs1,550.0,6.259637310505756,437.50400000000013,4.447740000000003,1,8,98.48,5,1
CHEMBL5901096,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccc(C2CC2)s1,55.0,7.259637310505756,462.55400000000026,5.621720000000003,1,7,85.59000000000002,6,1
CHEMBL5983678,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1ccc(C2CC2)s1,5.5,8.259637310505756,478.5530000000003,4.594120000000003,2,8,105.82000000000002,7,1
CHEMBL5827023,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cc(C2CC2)on1,55.0,7.259637310505756,447.4740000000003,4.548220000000002,1,8,111.62000000000002,6,1
CHEMBL5856178,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cc(C2CC2)on1,55.0,7.259637310505756,430.47200000000026,3.804120000000003,1,9,124.51,6,1
CHEMBL5777126,COc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1,5.5,8.259637310505756,432.48800000000017,3.285820000000002,1,9,112.64,6,1
CHEMBL5749574,COc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1,5.5,8.259637310505756,432.48800000000017,3.150520000000001,1,9,112.64,6,1
CHEMBL5913596,COc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1,1.0,9.0,458.5260000000001,4.083720000000002,1,9,112.64,7,1
CHEMBL5825451,COc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1,1.0,9.0,458.5260000000001,3.9484200000000023,1,9,112.64,7,1
CHEMBL5875669,COc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1,1.0,9.0,474.52500000000015,3.0561200000000013,2,10,132.87,8,1
CHEMBL5973137,COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1,5.5,8.259637310505756,460.54200000000014,4.329720000000003,1,9,112.64,7,1
CHEMBL6043703,COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1,55.0,7.259637310505756,460.54200000000014,4.194420000000002,1,9,112.64,7,1
CHEMBL5846475,COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1,1.0,9.0,476.54100000000017,3.302120000000001,2,10,132.87,8,1
CHEMBL5799275,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3CCOC3)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.5947200000000024,1,9,112.64000000000001,6,1
CHEMBL5878719,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCOC3)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.5947200000000024,1,9,112.64000000000001,6,1
CHEMBL5954088,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3CCC[C@@H]3O)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,488.5270000000003,3.7192200000000017,2,9,123.64000000000001,6,1
CHEMBL5984649,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCC[C@@H]3O)n2)cc1-c1cnn(C2CC2)c1,5.5,8.259637310505756,488.5270000000003,3.7192200000000017,2,9,123.64000000000001,6,1
CHEMBL6061860,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cc(C2CC2)no1,55.0,7.259637310505756,430.47200000000026,3.804120000000003,1,9,124.51,6,1
CHEMBL5555240,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1,1.82,8.739928612014925,443.48600000000033,4.049220000000003,1,7,90.52,5,1
CHEMBL5562919,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1,5.6,8.2518119729938,457.5130000000004,4.439320000000003,1,7,90.52,5,1
CHEMBL5542246,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cc(C2CC2)nn1,943.0,6.0254883072626715,458.5010000000004,3.8343200000000017,1,8,103.41,5,1
CHEMBL5562218,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1nnc(C2CC2)n1,1000.0,6.0,459.4890000000004,3.2293200000000013,1,9,116.3,5,1
CHEMBL5560126,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)n1,35.3,7.452225294612178,458.5010000000004,3.8343200000000017,1,8,103.41,5,1
CHEMBL5899792,O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(-c2cccnc2)cc1F,19.2,7.716698771296451,520.5720000000002,5.192900000000004,1,8,103.41,6,1
CHEMBL5969201,COCCOc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1,16.6,7.779891911959945,517.5650000000004,4.156100000000004,1,9,108.98,9,1
CHEMBL6059194,O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(O)cc1F,5.44,8.26440110030182,459.4850000000001,3.8365000000000027,2,8,110.75,5,1
CHEMBL5864163,CC1(COc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4CCCC5)n3)cc2-n2cnc(C3CC3)c2)COC1,7.2,8.142667503568731,543.6030000000003,4.546200000000004,1,9,108.97999999999999,8,1
CHEMBL5958417,O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCC2COC2)cc1F,7.61,8.118615343229427,529.5760000000004,4.156100000000003,1,9,108.98,8,1
CHEMBL5934277,O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCCF)cc1F,7.04,8.152427340857887,505.5290000000002,4.479200000000004,1,8,99.75,8,1
CHEMBL5947792,O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCCCF)cc1F,7.93,8.100726812682396,519.5560000000003,4.869300000000004,1,8,99.75,9,1
CHEMBL6044059,CN(C)c1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1,10.7,7.97061622231479,486.55500000000035,4.196900000000003,1,8,93.76,6,1
CHEMBL5924356,O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cc1F,10.1,7.995678626217358,528.5920000000003,3.967500000000003,1,9,102.99,6,1
CHEMBL6023572,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4O)n2)cc1-n1cnc(C2CC2)c1,4.12,8.385102783966865,473.51200000000034,3.930220000000003,2,8,110.75000000000001,5,1
CHEMBL5759222,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC[C@@H]4O)n2)cc1-n1cnc(C2CC2)c1,12.5,7.903089986991944,473.51200000000034,3.930220000000003,2,8,110.75000000000001,5,1
CHEMBL5742641,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC[C@H]4O)n2)cc1-n1cnc(C2CC2)c1,6.57,8.18243463044022,473.51200000000034,3.930220000000003,2,8,110.75000000000001,5,1
CHEMBL6021459,CC(C)n1cnnc1-c1cccc(N2CCN(CCc3cccnc3)C2=O)n1,36.0,7.443697499232712,377.4520000000001,2.800700000000001,0,6,80.04,6,1
CHEMBL5783370,CC(C)n1cnnc1-c1cccc(N2CCN([C@H](C)Cn3cnc(C4CC4)c3)C2=O)n1,14.0,7.853871964321762,420.52100000000024,3.3256000000000023,0,7,84.97000000000001,7,1
CHEMBL5927026,CC(C)n1cnnc1-c1cccc(N2CCN(CCn3cnc(C4CC4)c3)C2=O)n1,10.8,7.966576244513051,406.4940000000002,2.937100000000002,0,7,84.97000000000001,7,1
CHEMBL6041051,CC(C)n1cnnc1-c1cccc(N2CCN(CCc3cnc(C4CC4)nc3)C2=O)n1,13.7,7.863279432843593,418.5050000000002,3.073100000000002,0,7,92.93,7,1
CHEMBL5768655,CC(C)n1cnnc1-c1cccc(N2CCNC2=O)n1,64.4,7.1911141326401875,272.312,1.4506,1,5,75.94,3,1
CHEMBL6038599,Cc1ncc(CCN2CCN(c3cccc(-c4nncn4C(C)C)n3)C2=O)cn1,88.3,7.054039296422431,392.46700000000016,2.5041200000000003,0,7,92.93,6,1
CHEMBL6003576,Cc1ccc(CCN2CCN(c3cccc(-c4nncn4C(C)C)n3)C2=O)cn1,16.6,7.779891911959945,391.47900000000016,3.1091200000000017,0,6,80.04,6,1
CHEMBL5555240,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1,6.0,8.221848749616356,443.48600000000033,4.049220000000003,1,7,90.52,5,1
CHEMBL5560866,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)n2)cc1-n1cnc(C2CC2)c1,9.3,8.031517051446064,471.5400000000004,4.829420000000003,1,7,90.52,5,1
CHEMBL5562919,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1,13.4,7.872895201635193,457.5130000000004,4.439320000000003,1,7,90.52,5,1
CHEMBL5555716,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCOC4)n2)cc1-n1cnc(C2CC2)c1,47.8,7.320572103387881,459.48500000000035,3.6332200000000023,1,8,99.75000000000001,5,1
CHEMBL5972337,O=C(Nc1cccc(-c2nnc3n2CCC3)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,19.6,7.707743928643524,411.4690000000001,3.601700000000002,1,7,90.52000000000001,5,1
CHEMBL5564118,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1,1.8,8.744727494896694,457.5130000000003,4.610220000000003,1,7,90.52,5,1
CHEMBL5560821,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1,5.0,8.301029995663981,457.5130000000003,4.610220000000003,1,7,90.52,5,1
CHEMBL5557520,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C(C)(C)CC4)n2)cc1-n1cnc(C2CC2)c1,1.0,9.0,471.54000000000036,4.784320000000004,1,7,90.52,5,1
CHEMBL6044374,COC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,10.6,7.97469413473523,487.53900000000027,4.236720000000004,1,8,99.75000000000003,7,1
CHEMBL6012684,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)C)c1,2.7,8.568636235841012,459.5290000000003,4.856220000000003,1,7,90.52,5,1
CHEMBL6045865,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)C)c1,9.0,8.045757490560675,459.5290000000003,4.856220000000003,1,7,90.52,5,1
CHEMBL5958731,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1,1.4,8.853871964321762,473.5560000000003,5.030320000000003,1,7,90.52,4,1
CHEMBL5745604,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1,4.1,8.387216143280265,473.5560000000003,5.030320000000003,1,7,90.52,4,1
CHEMBL5565499,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C3CC3)C4)n2)cc1-n1cnc(C2CC2)c1,11.4,7.943095148663527,483.5510000000004,4.6853200000000035,1,7,90.52,6,1
CHEMBL5559162,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(CC3)C4)n2)cc1-n1cnc(C2CC2)c1,10.9,7.962573502059376,469.5240000000004,4.439320000000003,1,7,90.52,5,1
CHEMBL5563307,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)(C)C4)n2)cc1-n1cnc(C2CC2)c1,4.9,8.309803919971486,471.54000000000036,4.6853200000000035,1,7,90.52,5,1
CHEMBL5563823,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)C4)n2)cc1-n1cnc(C2CC2)c1,7.2,8.142667503568731,457.5130000000003,4.295220000000003,1,7,90.52,5,1
CHEMBL5917213,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C[C@H](C)C4)n2)cc1-n1cnc(C2CC2)c1,5.2,8.2839966563652,457.5130000000003,4.295220000000003,1,7,90.52,5,1
CHEMBL5995881,COC(C)[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,9.1,8.040958607678906,501.5660000000003,4.625220000000003,1,8,99.75000000000003,7,1
CHEMBL6052340,C=C[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,3.5,8.455931955649724,469.5240000000002,4.776320000000003,1,7,90.52000000000001,6,1
CHEMBL5562481,C=CC1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,4.1,8.387216143280265,469.5240000000002,4.776320000000003,1,7,90.52000000000001,6,1
CHEMBL6063653,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C(F)(F)F)CC4)n2)cc1-n1cnc(C2CC2)c1,1.9,8.721246399047171,511.4830000000003,5.152620000000003,1,7,90.52,5,1
CHEMBL5895956,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C(C(F)(F)F)CC4)n2)cc1-n1cnc(C2CC2)c1,7.7,8.113509274827518,511.4830000000003,5.152620000000003,1,7,90.52,5,1
CHEMBL5759712,C#C[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,1.9,8.721246399047171,467.50800000000027,4.223520000000003,1,7,90.52000000000001,5,1
CHEMBL5819286,C#CC1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,3.6,8.443697499232712,467.50800000000027,4.223520000000003,1,7,90.52000000000001,5,1
CHEMBL5555289,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](CC#N)CC4)n2)cc1-n1cnc(C2CC2)c1,6.1,8.214670164989233,482.52300000000037,4.504000000000002,1,8,114.30999999999999,6,1
CHEMBL5900512,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](CO)CC4)n2)cc1-n1cnc(C2CC2)c1,9.6,8.017728766960431,473.51200000000034,3.582620000000002,2,8,110.75000000000001,6,1
CHEMBL5790862,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](CF)CC4)n2)cc1-n1cnc(C2CC2)c1,4.9,8.309803919971486,475.5030000000003,4.559820000000002,1,7,90.52,6,1
CHEMBL5849968,Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1,8.2,8.086186147616283,473.9680000000003,5.124520000000003,1,7,90.52,5,1
CHEMBL5556635,CC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,1.9,8.721246399047171,471.54000000000025,5.000320000000004,1,7,90.52000000000001,6,1
CHEMBL5556343,CC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,5.0,8.301029995663981,471.54000000000025,5.000320000000004,1,7,90.52000000000001,6,1
CHEMBL5567956,CCC[C@@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,2.9,8.537602002101044,485.56700000000023,5.390420000000004,1,7,90.52000000000001,7,1
CHEMBL5549878,CCC[C@H]1CCc2nnc(-c3cccc(NC(=O)c4cc(-n5cnc(C6CC6)c5)c(C)cc4F)n3)n21,6.6,8.18045606445813,485.56700000000023,5.390420000000004,1,7,90.52000000000001,7,1
CHEMBL5925937,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C3(CC4)CC3)n2)cc1-n1cnc(C2CC2)c1,1.9,8.721246399047171,469.5240000000004,4.538320000000003,1,7,90.52,5,1
CHEMBL5899805,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C3(CC4)CC3)n2)cc1-n1cnc(C(C)C)c1,3.0,8.522878745280337,471.54000000000036,4.784320000000004,1,7,90.52,5,1
CHEMBL5852256,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)C2,8.4,8.075720713938118,437.50700000000023,3.818220000000002,0,7,81.73,4,1
CHEMBL5915243,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3C3(CC4)CC3)n1)C2,5.5,8.259637310505756,463.5450000000003,4.307320000000003,0,7,81.73,4,1
CHEMBL5831558,Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3[C@H](C(F)(F)F)CC4)n1)C2,9.4,8.0268721464003,505.5040000000002,4.921620000000003,0,7,81.73,4,1
CHEMBL6036447,Cc1c[nH]c2ncnc(N3CCC(NC(=O)c4cc(N)ncc4F)CC3)c12,5.75,8.24033215531037,369.4040000000001,1.7814199999999996,3,6,112.82,3,1
CHEMBL5937217,Cc1cnc(N)cc1C(=O)NC1CCN(c2ncnc3[nH]cc(C)c23)CC1,6.76,8.170053304058364,365.44100000000014,1.9507399999999993,3,6,112.82,3,1
CHEMBL5812512,Cc1c[nH]c2ncnc(N3CCC(NC(=O)c4cc(N)ncc4Cl)CC3)c12,8.91,8.050122295963126,385.8590000000001,2.2957199999999993,3,6,112.82,3,1
CHEMBL5746514,Nc1cc(C(=O)NC2CCN(c3ncnc4[nH]cc(Cl)c34)CC2)ccn1,3.47,8.459670525209127,371.8320000000001,1.9872999999999996,3,6,112.82000000000001,3,1
CHEMBL5770629,Nc1cc(C(=O)NC2CCN(c3ncnc4[nH]cc(Cl)c34)CC2)c(F)cn1,3.72,8.429457060118102,389.8220000000001,2.1263999999999994,3,6,112.82000000000001,3,1
CHEMBL5843273,Cc1c[nH]c2ncc(C#N)c(N3CCC(NC(=O)c4cc(N)ncc4F)CC3)c12,1.05,8.978810700930062,393.42600000000016,2.2580999999999998,3,6,123.72,3,1
CHEMBL5776905,Nc1cc(C(=O)NC2CCN(c3ccnc4[nH]cc(Cl)c34)CC2)c(F)cn1,5.75,8.24033215531037,388.8340000000002,2.7314000000000007,3,5,99.92999999999999,3,1
CHEMBL6036447,Cc1c[nH]c2ncnc(N3CCC(NC(=O)c4cc(N)ncc4F)CC3)c12,1.91,8.718966632752272,369.4040000000001,1.7814199999999996,3,6,112.82,3,1
CHEMBL5937217,Cc1cnc(N)cc1C(=O)NC1CCN(c2ncnc3[nH]cc(C)c23)CC1,1.26,8.899629454882437,365.44100000000014,1.9507399999999993,3,6,112.82,3,1
CHEMBL5812512,Cc1c[nH]c2ncnc(N3CCC(NC(=O)c4cc(N)ncc4Cl)CC3)c12,2.0,8.698970004336019,385.8590000000001,2.2957199999999993,3,6,112.82,3,1
CHEMBL5746514,Nc1cc(C(=O)NC2CCN(c3ncnc4[nH]cc(Cl)c34)CC2)ccn1,0.398,9.400116927926312,371.8320000000001,1.9872999999999996,3,6,112.82000000000001,3,1
CHEMBL5770629,Nc1cc(C(=O)NC2CCN(c3ncnc4[nH]cc(Cl)c34)CC2)c(F)cn1,1.58,8.801342913045577,389.8220000000001,2.1263999999999994,3,6,112.82000000000001,3,1
CHEMBL5843273,Cc1c[nH]c2ncc(C#N)c(N3CCC(NC(=O)c4cc(N)ncc4F)CC3)c12,1.05,8.978810700930062,393.42600000000016,2.2580999999999998,3,6,123.72,3,1
CHEMBL5776905,Nc1cc(C(=O)NC2CCN(c3ccnc4[nH]cc(Cl)c34)CC2)c(F)cn1,5.75,8.24033215531037,388.8340000000002,2.7314000000000007,3,5,99.92999999999999,3,1
CHEMBL4590759,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(Br)cc21,100.0,7.0,414.26300000000003,3.5275000000000025,1,6,81.93000000000002,0,1
CHEMBL4561768,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccccc21,100.0,7.0,335.367,2.7650000000000006,1,6,81.93000000000002,0,1
CHEMBL4548492,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,100.0,7.0,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4544934,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21,100.0,7.0,432.48400000000026,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL5794230,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3C4CCC3COC4)cc21,100.0,7.0,446.51100000000025,3.132600000000002,1,8,94.40000000000002,1,1
CHEMBL5847471,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4CC(C3)O4)cc21,100.0,7.0,432.4840000000002,2.7425000000000015,1,8,94.40000000000002,1,1
CHEMBL6019411,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4CCC(C3)O4)cc21,100.0,7.0,446.51100000000025,3.132600000000002,1,8,94.40000000000002,1,1
CHEMBL5799280,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3C4COCC3C4)cc21,100.0,7.0,432.4840000000002,2.7425000000000015,1,8,94.40000000000002,1,1
CHEMBL6049910,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC(F)(F)C3)cc21,100.0,7.0,426.42700000000013,3.2203000000000017,1,7,85.17000000000002,1,1
CHEMBL5808010,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCC(F)(F)C3)cc21,100.0,7.0,440.4540000000002,3.610400000000003,1,7,85.17000000000002,1,1
CHEMBL5970861,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCCC(F)(F)C3)cc21,100.0,7.0,454.4810000000002,4.000500000000003,1,7,85.17000000000002,1,1
CHEMBL5741453,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCC(F)(F)CC3)cc21,100.0,7.0,454.4810000000002,4.000500000000003,1,7,85.17000000000002,1,1
CHEMBL5896226,CCN1CCN(c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1,100.0,7.0,447.54300000000035,2.906900000000001,1,8,88.41000000000001,2,1
CHEMBL5884448,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(C3=CCOC3)cc21,100.0,7.0,403.4420000000002,3.178600000000001,1,7,91.16000000000003,1,1
CHEMBL5928122,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(C3CCOC3)cc21,100.0,7.0,405.4580000000002,3.268900000000002,1,7,91.16000000000003,1,1
CHEMBL6048336,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(C3=CCOCC3)cc21,100.0,7.0,417.4690000000002,3.5687000000000024,1,7,91.16000000000003,1,1
CHEMBL6061322,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(C3CCOCC3)cc21,100.0,7.0,419.48500000000024,3.6590000000000025,1,7,91.16000000000003,1,1
CHEMBL4455414,Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,349.39400000000023,3.0734200000000005,1,6,81.93000000000002,0,1
CHEMBL5979870,C=Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,361.4050000000002,3.4080000000000013,1,6,81.93000000000002,1,1
CHEMBL6047450,N#Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,360.3770000000002,2.63668,1,7,105.72000000000001,0,1
CHEMBL4569388,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,100.0,7.0,415.4570000000002,3.259120000000001,1,8,99.75,1,1
CHEMBL5924612,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-n3cnc(C4CC4)c3)cc21,100.0,7.0,441.4950000000002,3.8281000000000027,1,8,99.75000000000001,2,1
CHEMBL5968252,Cn1nccc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,415.4570000000003,3.1655000000000006,1,8,99.75000000000001,1,1
CHEMBL4475667,Cn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,100.0,7.0,415.4570000000002,3.1655000000000006,1,8,99.75,1,1
CHEMBL5740583,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3ccccn3)cc21,100.0,7.0,412.4530000000001,3.8270000000000026,1,7,94.82000000000002,1,1
CHEMBL6038640,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3cccnc3)cc21,100.0,7.0,412.4530000000001,3.8270000000000026,1,7,94.82000000000002,1,1
CHEMBL6032279,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3ccncc3)cc21,100.0,7.0,412.4530000000001,3.8270000000000026,1,7,94.82000000000002,1,1
CHEMBL4473364,CS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,413.4590000000003,2.1685,1,8,116.07000000000001,1,1
CHEMBL5866467,Cn1cncc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,415.4570000000002,3.1655000000000006,1,8,99.75000000000001,1,1
CHEMBL5970236,Cn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)nn1,100.0,7.0,416.4450000000002,2.5605,1,9,112.64,1,1
CHEMBL5746460,Cc1nn(C)cc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,429.48400000000026,3.4739200000000015,1,8,99.75000000000001,1,1
CHEMBL5895157,Cc1nn(C)c(C)c1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,443.51100000000025,3.7823400000000014,1,8,99.75000000000001,1,1
CHEMBL5968965,Cc1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)n(C)n1,100.0,7.0,429.48400000000026,3.4739200000000023,1,8,99.75000000000001,1,1
CHEMBL4536051,Cc1ncn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)c1C,100.0,7.0,429.48400000000026,3.567540000000002,1,8,99.75000000000001,1,1
CHEMBL5925744,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-n3cccn3)cc21,100.0,7.0,401.43000000000006,2.950700000000001,1,8,99.75000000000001,1,1
CHEMBL4442116,C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,100.0,7.0,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4514925,C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL5891712,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2[C@H](C)CCCO3)cn1,100.0,7.0,429.4840000000002,3.820120000000002,1,8,99.75,1,1
CHEMBL5859007,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)CCCO3)cn1,100.0,7.0,429.4840000000002,3.820120000000002,1,8,99.75,1,1
CHEMBL5774000,C[C@H]1CCCOc2ccc(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,429.4840000000001,3.7265000000000024,1,8,99.75,1,1
CHEMBL4562269,C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,367.38400000000007,3.4651000000000014,1,6,81.93,0,1
CHEMBL5953129,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(C(F)(F)F)ccc21,100.0,7.0,403.36400000000003,3.783800000000003,1,6,81.93000000000002,0,1
CHEMBL4590290,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)ccc21,100.0,7.0,353.357,2.9041000000000015,1,6,81.93000000000002,0,1
CHEMBL5806281,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2ccc(F)cc21,100.0,7.0,351.34100000000007,2.6801000000000004,1,6,81.93000000000002,0,1
CHEMBL4469413,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(F)cc21,100.0,7.0,353.357,2.9041000000000015,1,6,81.93000000000002,0,1
CHEMBL5752140,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2ccc(Br)cc21,100.0,7.0,412.24700000000007,3.3035000000000014,1,6,81.93000000000002,0,1
CHEMBL5752140,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2ccc(Br)cc21,100.0,7.0,412.24700000000007,3.3035000000000014,1,6,81.93000000000002,0,1
CHEMBL5941923,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2ccc(N3CCOCC3)cc21,100.0,7.0,418.4570000000003,2.3776,1,8,94.40000000000002,1,1
CHEMBL6040096,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccc(Br)cc21,100.0,7.0,428.2900000000001,3.917600000000003,1,6,81.93000000000002,0,1
CHEMBL4447729,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,100.0,7.0,349.39400000000006,3.155100000000002,1,6,81.93000000000002,0,1
CHEMBL5780858,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccc(N3CCOCC3)cc21,100.0,7.0,434.5000000000003,2.9917000000000016,1,8,94.40000000000002,1,1
CHEMBL5751658,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccc(N3CC4(COC4)C3)cc21,100.0,7.0,446.5110000000003,2.9917000000000016,1,8,94.40000000000002,1,1
CHEMBL6003554,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(C(=O)N3CCCC3)cc21,550.0,6.259637310505756,432.48400000000026,3.0010000000000012,1,7,102.24000000000002,1,1
CHEMBL6039659,C[C@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,550.0,6.259637310505756,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4537756,C[C@@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,550.0,6.259637310505756,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL5757202,C[C@@H]1CCCOc2ccc(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21,550.0,6.259637310505756,429.4840000000001,3.7265000000000024,1,8,99.75,1,1
CHEMBL5766005,C[C@@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21,550.0,6.259637310505756,367.38400000000007,3.4651000000000014,1,6,81.93,0,1
CHEMBL5798286,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2cc(C(F)(F)F)ccc21,550.0,6.259637310505756,401.34800000000007,3.5598000000000027,1,6,81.93000000000002,0,1
CHEMBL5798286,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2cc(C(F)(F)F)ccc21,550.0,6.259637310505756,401.34800000000007,3.5598000000000027,1,6,81.93000000000002,0,1
CHEMBL5855133,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2cc(F)ccc21,550.0,6.259637310505756,351.34100000000007,2.6801000000000013,1,6,81.93000000000002,0,1
CHEMBL5806281,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2ccc(F)cc21,550.0,6.259637310505756,351.34100000000007,2.6801000000000004,1,6,81.93000000000002,0,1
CHEMBL5785077,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2c(Br)cccc21,550.0,6.259637310505756,412.24700000000007,3.3035000000000014,1,6,81.93000000000002,0,1
CHEMBL5785855,O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccc(N3CCOCC3)cc21,550.0,6.259637310505756,406.44600000000025,2.2115,1,8,94.40000000000002,1,1
CHEMBL6033511,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2c1cccc2C(F)(F)F,5500.0,5.259637310505756,401.34800000000007,3.5598000000000027,1,6,81.93000000000002,0,0
CHEMBL5850438,O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccc(Br)cc21,5500.0,5.259637310505756,400.23600000000005,3.1374000000000013,1,6,81.93000000000002,0,0
CHEMBL5937262,CN1C(=O)c2cc(Br)ccc2OCCCCn2cnnc2-c2cccc1n2,5500.0,5.259637310505756,428.2900000000002,3.5518000000000027,0,6,73.14,0,0
CHEMBL5785077,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2c(Br)cccc21,5500.0,5.259637310505756,412.24700000000007,3.3035000000000014,1,6,81.93000000000002,0,0
CHEMBL6033511,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2c1cccc2C(F)(F)F,5500.0,5.259637310505756,401.34800000000007,3.5598000000000027,1,6,81.93000000000002,0,0
CHEMBL4561768,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccccc21,100.0,7.0,335.367,2.7650000000000006,1,6,81.93000000000002,0,1
CHEMBL4548492,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21,100.0,7.0,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL4544934,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21,100.0,7.0,432.48400000000026,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL5794230,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3C4CCC3COC4)cc21,100.0,7.0,446.51100000000025,3.132600000000002,1,8,94.40000000000002,1,1
CHEMBL5847471,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4CC(C3)O4)cc21,100.0,7.0,432.4840000000002,2.7425000000000015,1,8,94.40000000000002,1,1
CHEMBL5799280,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3C4COCC3C4)cc21,100.0,7.0,432.4840000000002,2.7425000000000015,1,8,94.40000000000002,1,1
CHEMBL6049910,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC(F)(F)C3)cc21,100.0,7.0,426.42700000000013,3.2203000000000017,1,7,85.17000000000002,1,1
CHEMBL5808010,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCC(F)(F)C3)cc21,100.0,7.0,440.4540000000002,3.610400000000003,1,7,85.17000000000002,1,1
CHEMBL5970861,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCCC(F)(F)C3)cc21,100.0,7.0,454.4810000000002,4.000500000000003,1,7,85.17000000000002,1,1
CHEMBL5741453,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCC(F)(F)CC3)cc21,100.0,7.0,454.4810000000002,4.000500000000003,1,7,85.17000000000002,1,1
CHEMBL5928122,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(C3CCOC3)cc21,100.0,7.0,405.4580000000002,3.268900000000002,1,7,91.16000000000003,1,1
CHEMBL6061322,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(C3CCOCC3)cc21,100.0,7.0,419.48500000000024,3.6590000000000025,1,7,91.16000000000003,1,1
CHEMBL4455414,Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,349.39400000000023,3.0734200000000005,1,6,81.93000000000002,0,1
CHEMBL6047450,N#Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,360.3770000000002,2.63668,1,7,105.72000000000001,0,1
CHEMBL4569388,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,100.0,7.0,415.4570000000002,3.259120000000001,1,8,99.75,1,1
CHEMBL5924612,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-n3cnc(C4CC4)c3)cc21,100.0,7.0,441.4950000000002,3.8281000000000027,1,8,99.75000000000001,2,1
CHEMBL5968252,Cn1nccc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,415.4570000000003,3.1655000000000006,1,8,99.75000000000001,1,1
CHEMBL6038640,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3cccnc3)cc21,100.0,7.0,412.4530000000001,3.8270000000000026,1,7,94.82000000000002,1,1
CHEMBL6032279,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3ccncc3)cc21,100.0,7.0,412.4530000000001,3.8270000000000026,1,7,94.82000000000002,1,1
CHEMBL5866467,Cn1cncc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,415.4570000000002,3.1655000000000006,1,8,99.75000000000001,1,1
CHEMBL5746460,Cc1nn(C)cc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,429.48400000000026,3.4739200000000015,1,8,99.75000000000001,1,1
CHEMBL5895157,Cc1nn(C)c(C)c1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,443.51100000000025,3.7823400000000014,1,8,99.75000000000001,1,1
CHEMBL5968965,Cc1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)n(C)n1,100.0,7.0,429.48400000000026,3.4739200000000023,1,8,99.75000000000001,1,1
CHEMBL5989270,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3cnn(C4CCC4)c3)cc21,100.0,7.0,455.5220000000002,4.353500000000004,1,8,99.75000000000003,2,1
CHEMBL5850965,CC(C)n1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,100.0,7.0,443.51100000000025,4.209400000000003,1,8,99.75,2,1
CHEMBL5880499,Cc1c(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cnn1C,100.0,7.0,429.4840000000002,3.4739200000000015,1,8,99.75000000000003,1,1
CHEMBL6031870,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3cnn(C4COC4)c3)cc21,100.0,7.0,457.4940000000002,3.1998000000000015,1,9,108.98000000000003,2,1
CHEMBL4456722,CN(C)CCn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1,100.0,7.0,472.5530000000003,3.190100000000001,1,9,102.99000000000001,4,1
CHEMBL5838743,CN1CCn2ncc(-c3ccc4c(c3)C(=O)Nc3cccc(n3)-c3nncn3CCCCO4)c2C1,100.0,7.0,470.5370000000003,3.073900000000001,1,9,102.99,1,1
CHEMBL5975616,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-n3ccnc3)cc21,100.0,7.0,401.43000000000006,2.950700000000001,1,8,99.75000000000001,1,1
CHEMBL4536051,Cc1ncn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)c1C,100.0,7.0,429.48400000000026,3.567540000000002,1,8,99.75000000000001,1,1
CHEMBL6062870,Cc1nccn1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,415.4570000000003,3.259120000000001,1,8,99.75000000000001,1,1
CHEMBL5925744,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-n3cccn3)cc21,100.0,7.0,401.43000000000006,2.950700000000001,1,8,99.75000000000001,1,1
CHEMBL5974869,Cc1ccn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)n1,100.0,7.0,415.4570000000002,3.259120000000001,1,8,99.75,1,1
CHEMBL5796162,Cc1cc(C)n(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)n1,100.0,7.0,429.48400000000026,3.567540000000002,1,8,99.75,1,1
CHEMBL5999938,NCc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,364.4090000000002,2.2237,2,7,107.95,1,1
CHEMBL6004798,CN(C)Cc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,392.46300000000025,2.826600000000001,1,7,85.17,2,1
CHEMBL5768869,CC(C)(O)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,393.44700000000023,2.992400000000001,2,7,102.16000000000001,1,1
CHEMBL5968738,COC(C)(C)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,407.4740000000002,3.6465000000000014,1,7,91.16000000000001,2,1
CHEMBL5998407,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccncc3)cc21,100.0,7.0,430.4430000000001,3.9661000000000026,1,7,94.82000000000002,1,1
CHEMBL6033340,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccnc(C(F)(F)F)c3)cc21,100.0,7.0,498.4400000000001,4.984900000000003,1,7,94.82000000000002,1,1
CHEMBL5832994,Cc1cc(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)ccn1,100.0,7.0,444.4700000000001,4.274520000000002,1,7,94.82000000000001,1,1
CHEMBL5937383,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccnc(F)c3)cc21,100.0,7.0,448.4330000000001,4.105200000000003,1,7,94.82000000000002,1,1
CHEMBL5994495,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccnc(C4CC4)c3)cc21,100.0,7.0,470.5080000000002,4.843500000000004,1,7,94.82000000000002,2,1
CHEMBL5910011,Cc1ccc(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,444.4700000000001,4.2745200000000025,1,7,94.82000000000001,1,1
CHEMBL5788323,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3cncc(C(F)(F)F)c3)cc21,100.0,7.0,498.4400000000001,4.984900000000003,1,7,94.82000000000002,1,1
CHEMBL5970568,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccc(C4CC4)nc3)cc21,100.0,7.0,470.5080000000002,4.843500000000004,1,7,94.82000000000002,2,1
CHEMBL5962982,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3cncnc3)cc21,100.0,7.0,431.4310000000001,3.361100000000002,1,8,107.71000000000002,1,1
CHEMBL5850811,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(Br)cc21,100.0,7.0,432.25300000000004,3.6666000000000025,1,6,81.93000000000002,0,1
CHEMBL5772910,Cc1c(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cnn1C,100.0,7.0,447.4740000000001,3.6130200000000015,1,8,99.75,1,1
CHEMBL5937238,Cn1cc(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,433.44700000000006,3.3046000000000006,1,8,99.75000000000001,1,1
CHEMBL5914281,CN(C)CCn1cc(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,490.5430000000002,3.329200000000002,1,9,102.99,4,1
CHEMBL5899056,CN1CCn2ncc(-c3cc4c(cc3F)OCCCCn3cnnc3-c3cccc(n3)NC4=O)c2C1,100.0,7.0,488.5270000000002,3.213000000000001,1,9,102.99000000000001,1,1
CHEMBL5741925,Cc1cn(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,433.44700000000006,3.398220000000001,1,8,99.75000000000001,1,1
CHEMBL5902907,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(C3=CCOCC3)cc21,100.0,7.0,435.45900000000023,3.7078000000000024,1,7,91.16000000000003,1,1
CHEMBL6064371,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(C3CCOCC3)cc21,100.0,7.0,437.47500000000025,3.7981000000000025,1,7,91.16000000000003,1,1
CHEMBL5843821,CN1CC=C(c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1,100.0,7.0,448.5020000000001,3.623000000000002,1,7,85.16999999999999,1,1
CHEMBL5881856,CN1CCC(c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1,100.0,7.0,450.51800000000014,3.713300000000002,1,7,85.16999999999999,1,1
CHEMBL5867641,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(N3CCOCC3)cc21,100.0,7.0,438.46300000000025,2.7407000000000012,1,8,94.40000000000002,1,1
CHEMBL5977642,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(N3CC4CC(C3)O4)cc21,100.0,7.0,450.4740000000002,2.8816000000000015,1,8,94.40000000000002,1,1
CHEMBL5921459,CN1CCN(c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1,100.0,7.0,451.50600000000014,2.655900000000001,1,8,88.41,1,1
CHEMBL5831889,N#Cc1cc2c(cc1F)OCCCCn1cnnc1-c1cccc(n1)NC2=O,100.0,7.0,378.3670000000001,2.77578,1,7,105.72,0,1
CHEMBL5852640,COCCOc1cc2c(cc1F)OCCCCn1cnnc1-c1cccc(n1)NC2=O,100.0,7.0,427.43600000000004,2.9293000000000005,1,8,100.39000000000001,4,1
CHEMBL5903071,CN(C)CCOc1cc2c(cc1F)OCCCCn1cnnc1-c1cccc(n1)NC2=O,100.0,7.0,440.47900000000004,2.844500000000001,1,8,94.4,4,1
CHEMBL5997839,CN1CC=C(c2ccc3c(c2)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1,100.0,7.0,430.51200000000017,3.483900000000002,1,7,85.16999999999999,1,1
CHEMBL6040091,CN1CCC(c2ccc3c(c2)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1,100.0,7.0,432.52800000000013,3.574200000000002,1,7,85.16999999999999,1,1
CHEMBL5783167,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(N3CCOCC3)ccc21,100.0,7.0,420.47300000000024,2.6016000000000004,1,8,94.40000000000002,1,1
CHEMBL5954808,CN1CCN(c2ccc3c(c2)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1,100.0,7.0,433.51600000000013,2.516800000000001,1,8,88.41,1,1
CHEMBL5740664,C[C@H]1CN(C)CCN1c1ccc2c(c1)OCCCCn1cnnc1-c1cccc(n1)NC2=O,100.0,7.0,447.5430000000001,2.9053000000000004,1,8,88.41,1,1
CHEMBL6062260,C[C@@H]1CN(C)CCN1c1ccc2c(c1)OCCCCn1cnnc1-c1cccc(n1)NC2=O,100.0,7.0,447.5430000000001,2.9053000000000004,1,8,88.41,1,1
CHEMBL5762088,Cn1cc(-c2ccc3c(c2)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,415.45700000000005,3.1655000000000006,1,8,99.75000000000001,1,1
CHEMBL5829729,CN1CC=C(c2cc3c(cc2F)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1,100.0,7.0,448.50200000000035,3.623000000000002,1,7,85.17,1,1
CHEMBL5821716,CN1CCC(c2cc3c(cc2F)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1,100.0,7.0,450.5180000000003,3.713300000000002,1,7,85.17,1,1
CHEMBL5942337,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(N3CCOCC3)c(F)cc21,100.0,7.0,438.46300000000025,2.7407000000000012,1,8,94.40000000000002,1,1
CHEMBL5985380,COCCNc1cc2c(cc1F)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2,100.0,7.0,426.4520000000002,2.9624000000000006,2,8,103.19000000000001,4,1
CHEMBL4442116,C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1,100.0,7.0,349.3940000000001,3.011000000000001,1,6,81.93,0,1
CHEMBL4514925,C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,349.39400000000006,3.3260000000000005,1,6,81.93,0,1
CHEMBL5891712,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2[C@H](C)CCCO3)cn1,100.0,7.0,429.4840000000002,3.820120000000002,1,8,99.75,1,1
CHEMBL5859007,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)CCCO3)cn1,100.0,7.0,429.4840000000002,3.820120000000002,1,8,99.75,1,1
CHEMBL5774000,C[C@H]1CCCOc2ccc(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,429.4840000000001,3.7265000000000024,1,8,99.75,1,1
CHEMBL4562269,C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,367.38400000000007,3.4651000000000014,1,6,81.93,0,1
CHEMBL5948409,C[C@H]1CCCOc2ccc(F)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,367.38400000000007,3.4651000000000014,1,6,81.93,0,1
CHEMBL5778364,C[C@H]1CCCOc2cc(F)c(Br)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,446.28000000000014,4.227600000000003,1,6,81.93,0,1
CHEMBL5802514,C[C@H]1CCCOc2cc(F)c(N3CCOCC3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,452.49000000000007,3.301700000000001,1,8,94.4,1,1
CHEMBL5838367,C[C@H]1CCCOc2cc(F)c(N3CC4CC(C3)O4)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,464.5010000000001,3.4426000000000023,1,8,94.4,1,1
CHEMBL5788265,C[C@H]1CCCOc2cc(F)c(C3=CCN(C)CC3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,462.5290000000001,4.184000000000004,1,7,85.16999999999999,1,1
CHEMBL5916455,C[C@H]1CCCOc2cc(F)c(C3CCN(C)CC3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,464.5450000000001,4.274300000000003,1,7,85.16999999999999,1,1
CHEMBL5827724,C[C@H]1CCCOc2cc(F)c(C3=CCOCC3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,449.4860000000001,4.268800000000002,1,7,91.16,1,1
CHEMBL5868743,C[C@H]1CCCOc2cc(F)c(-c3cncnc3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,445.45800000000014,3.922100000000002,1,8,107.71000000000001,1,1
CHEMBL6050204,C[C@H]1CCCOc2cc(F)c(-c3cncc(C(F)(F)F)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,512.4670000000001,5.545900000000004,1,7,94.82,1,1
CHEMBL5789893,C[C@H]1CCCOc2cc(F)c(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,444.47000000000014,4.527100000000004,1,7,94.82,1,1
CHEMBL6004841,Cc1cn(-c2cc3c(cc2F)OCCC[C@H](C)n2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,447.47400000000005,3.959220000000001,1,8,99.75000000000001,1,1
CHEMBL5897136,C[C@H]1CCCOc2cc(F)c(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,447.47400000000016,3.8656000000000024,1,8,99.75,1,1
CHEMBL6051341,C[C@H]1CCCOc2cc(F)c(-c3cnn(CCN(C)C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,504.57000000000016,3.8902000000000028,1,9,102.99000000000001,4,1
CHEMBL6012293,C[C@H]1CCCOc2cc(F)c(OCCN(C)C)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,454.5060000000001,3.4055000000000017,1,8,94.4,4,1
CHEMBL6049807,COCCOc1cc2c(cc1F)OCCC[C@H](C)n1cnnc1-c1cccc(n1)NC2=O,100.0,7.0,441.4630000000001,3.490300000000002,1,8,100.39000000000001,4,1
CHEMBL5999568,C[C@H]1CCCOc2cc(F)c(C#N)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,392.39400000000006,3.336780000000001,1,7,105.72,0,1
CHEMBL5940644,C[C@H]1CCCOc2cc(S(C)(=O)=O)c(Br)cc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,506.3820000000001,3.492000000000001,1,8,116.07,1,1
CHEMBL5764177,C[C@@H]1CCCOc2cc(Br)ccc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,428.2900000000001,4.088500000000003,1,6,81.93,0,1
CHEMBL5794732,C[C@H]1CCCOc2cc(N3CCN(C)CC3)ccc2C(=O)Nc2cccc(n2)-c2nncn21,100.0,7.0,447.5430000000001,3.0778000000000016,1,8,88.41,1,1
CHEMBL5843065,C[C@H]1CCOc2cc(F)c(Br)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,100.0,7.0,446.28000000000014,3.912600000000003,1,6,81.93,0,1
CHEMBL6017185,C[C@H]1CCOc2cc(F)c(C3CCN(C)CC3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,100.0,7.0,464.54500000000013,3.9593000000000025,1,7,85.16999999999999,1,1
CHEMBL5973970,C[C@H]1CCOc2cc(F)c(-c3cnn(CCN(C)C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,100.0,7.0,504.5700000000002,3.5752000000000015,1,9,102.99000000000001,4,1
CHEMBL5796236,C[C@H]1CCOc2cc(F)c(C#CC3(C)COC3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,100.0,7.0,461.4970000000001,3.538100000000002,1,7,91.16,0,1
CHEMBL6010354,COCCOc1cc2c(cc1F)OCC[C@H](C)Cn1cnnc1-c1cccc(n1)NC2=O,100.0,7.0,441.4630000000001,3.175300000000001,1,8,100.39000000000001,4,1
CHEMBL5943147,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(Br)ccc2O1,100.0,7.0,428.29000000000013,3.916000000000002,1,6,81.93,0,1
CHEMBL5969980,C[C@@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(Br)ccc2O1,100.0,7.0,428.29000000000013,3.916000000000002,1,6,81.93,0,1
CHEMBL5844282,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(N3CCN(C)CC3)ccc2O1,100.0,7.0,447.54300000000035,2.9053000000000013,1,8,88.41,1,1
CHEMBL5801268,C[C@@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(N3CCN(C)CC3)ccc2O1,100.0,7.0,447.54300000000035,2.9053000000000013,1,8,88.41,1,1
CHEMBL5906967,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(N3CCOCC3)ccc2O1,100.0,7.0,434.50000000000034,2.990100000000001,1,8,94.4,1,1
CHEMBL5793693,C[C@@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(N3CCOCC3)ccc2O1,100.0,7.0,434.50000000000034,2.990100000000001,1,8,94.4,1,1
CHEMBL5980357,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(-c3ccncc3)ccc2O1,100.0,7.0,426.4800000000002,4.215500000000003,1,7,94.82000000000001,1,1
CHEMBL5900495,C[C@@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(-c3ccncc3)ccc2O1,100.0,7.0,426.4800000000002,4.215500000000003,1,7,94.82000000000001,1,1
CHEMBL5809316,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(-c3cnn(CCN(C)C)c3)ccc2O1,100.0,7.0,486.5800000000003,3.5786000000000024,1,9,102.99000000000001,4,1
CHEMBL5754068,C[C@@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(-c3cnn(CCN(C)C)c3)ccc2O1,100.0,7.0,486.5800000000003,3.5786000000000024,1,9,102.99000000000001,4,1
CHEMBL5949285,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCC[C@H](C)O3)cn1,100.0,7.0,429.4840000000002,3.6476200000000016,1,8,99.75,1,1
CHEMBL5995893,Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCC[C@@H](C)O3)cn1,100.0,7.0,429.4840000000002,3.6476200000000016,1,8,99.75,1,1
CHEMBL5859442,C[C@@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(C#N)ccc2O1,100.0,7.0,374.40400000000017,3.0251800000000006,1,7,105.72000000000001,0,1
CHEMBL4590290,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)ccc21,100.0,7.0,353.357,2.9041000000000015,1,6,81.93000000000002,0,1
CHEMBL5941923,O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2ccc(N3CCOCC3)cc21,100.0,7.0,418.4570000000003,2.3776,1,8,94.40000000000002,1,1
CHEMBL4447729,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21,100.0,7.0,349.39400000000006,3.155100000000002,1,6,81.93000000000002,0,1
CHEMBL5780858,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccc(N3CCOCC3)cc21,100.0,7.0,434.5000000000003,2.9917000000000016,1,8,94.40000000000002,1,1
CHEMBL5751658,O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccc(N3CC4(COC4)C3)cc21,100.0,7.0,446.5110000000003,2.9917000000000016,1,8,94.40000000000002,1,1
CHEMBL5872439,O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2ccccc21,100.0,7.0,347.37800000000004,2.9311000000000016,1,6,81.93000000000002,0,1
CHEMBL5872439,O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2ccccc21,100.0,7.0,347.37800000000004,2.9311000000000016,1,6,81.93000000000002,0,1
CHEMBL5774163,O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2cc(F)c(Br)cc21,100.0,7.0,444.26400000000007,3.8327000000000027,1,6,81.93000000000002,0,1
CHEMBL5774163,O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2cc(F)c(Br)cc21,100.0,7.0,444.26400000000007,3.8327000000000027,1,6,81.93000000000002,0,1
CHEMBL5912006,CN(C)CCn1cc(-c2cc3c(cc2F)OCC/C=C\Cn2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,502.55400000000014,3.495300000000002,1,9,102.99,4,1
CHEMBL5912006,CN(C)CCn1cc(-c2cc3c(cc2F)OCC/C=C\Cn2cnnc2-c2cccc(n2)NC3=O)cn1,100.0,7.0,502.55400000000014,3.495300000000002,1,9,102.99,4,1
CHEMBL5803637,O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2cc(F)c(-c3ccncc3)cc21,100.0,7.0,442.4540000000001,4.132200000000003,1,7,94.82000000000002,1,1
CHEMBL6038061,O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2cc(F)c(N3CCOCC3)cc21,100.0,7.0,450.4740000000003,2.9068000000000014,1,8,94.40000000000002,1,1
CHEMBL5974869,Cc1ccn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)n1,550.0,6.259637310505756,415.4570000000002,3.259120000000001,1,8,99.75,1,1
CHEMBL5753126,C[C@@H]1CCCOc2ccc(F)cc2C(=O)Nc2cccc(n2)-c2nncn21,550.0,6.259637310505756,367.38400000000007,3.4651000000000014,1,6,81.93,0,1
CHEMBL5746838,C[C@@H]1CCOc2cc(F)c(Br)cc2C(=O)Nc2cccc(n2)-c2nncn2C1,550.0,6.259637310505756,446.28000000000014,3.912600000000003,1,6,81.93,0,1
CHEMBL4565615,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2O1,550.0,6.259637310505756,349.3940000000001,3.153500000000001,1,6,81.93,0,1
CHEMBL5764157,C[C@@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2O1,550.0,6.259637310505756,349.3940000000001,3.153500000000001,1,6,81.93,0,1
CHEMBL5985548,C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2cc(C#N)ccc2O1,550.0,6.259637310505756,374.40400000000017,3.0251800000000006,1,7,105.72000000000001,0,1
CHEMBL5985533,O=C1Nc2cccc(n2)-c2nncn2CCCCOc2c(Br)cccc21,550.0,6.259637310505756,414.26300000000003,3.5275000000000025,1,6,81.93000000000002,0,1
CHEMBL5871670,C[C@@H]1CCCOc2cc(F)c(Br)cc2C(=O)Nc2cccc(n2)-c2nncn21,5500.0,5.259637310505756,446.28000000000014,4.227600000000003,1,6,81.93,0,0
CHEMBL5831439,C[C@H]1CCCOc2cc(Br)ccc2C(=O)Nc2cccc(n2)-c2nncn21,5500.0,5.259637310505756,428.2900000000001,4.088500000000003,1,6,81.93,0,0
CHEMBL5742463,C[C@@H]1CCCOc2cc(N3CCN(C)CC3)ccc2C(=O)Nc2cccc(n2)-c2nncn21,5500.0,5.259637310505756,447.5430000000001,3.0778000000000016,1,8,88.41,1,0
CHEMBL5844965,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1,300.0,6.522878745280337,413.48100000000017,4.7523000000000035,1,6,81.93,7,1
CHEMBL5774886,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(C#N)cc(C(F)(F)F)n3)c2)n1,300.0,6.522878745280337,493.4490000000002,5.2510800000000035,1,8,118.61000000000001,6,1
CHEMBL6035305,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(C(=O)O)cc(C(F)(F)F)n3)c2)n1,650.0,6.187086643357144,512.4480000000002,5.077600000000003,2,8,132.12,7,1
CHEMBL5827009,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3cccnc3)c2)n1,300.0,6.522878745280337,414.46900000000016,4.147300000000002,1,7,94.82000000000001,7,1
CHEMBL5780044,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccccn3)ccc2F)n1,300.0,6.522878745280337,418.43200000000013,4.4997000000000025,1,7,94.82000000000001,6,1
CHEMBL5954400,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccnc3)ccc2F)n1,300.0,6.522878745280337,418.43200000000013,4.4997000000000025,1,7,94.82000000000001,6,1
CHEMBL5793456,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(C4CC4)n3)ccc2F)n1,300.0,6.522878745280337,458.49700000000024,5.377100000000004,1,7,94.82000000000001,7,1
CHEMBL5928864,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccncn3)ccc2F)n1,300.0,6.522878745280337,419.42000000000013,3.894700000000002,1,8,107.71000000000001,6,1
CHEMBL5850823,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2F)n1,300.0,6.522878745280337,444.47000000000014,4.564700000000003,2,6,101.8,6,1
CHEMBL5884117,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccc(CN)cc3)ccc2F)n1,300.0,6.522878745280337,473.5120000000002,4.023400000000001,3,7,127.82,7,1
CHEMBL6046804,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccccn3)ccc2F)n1,300.0,6.522878745280337,445.45800000000014,3.9597000000000016,2,7,114.69,6,1
CHEMBL5925842,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3cccnc3)ccc2F)n1,300.0,6.522878745280337,445.45800000000014,3.9597000000000016,2,7,114.69,6,1
CHEMBL5896809,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccncc3)ccc2F)n1,300.0,6.522878745280337,445.45800000000014,3.9597000000000016,2,7,114.69,6,1
CHEMBL5953734,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)n1,300.0,6.522878745280337,524.3540000000002,4.722200000000003,2,7,114.69,6,1
CHEMBL5785897,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3cncnc3)ccc2F)n1,300.0,6.522878745280337,446.44600000000014,3.354700000000001,2,8,127.58,6,1
CHEMBL6042193,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ncccn3)ccc2F)n1,300.0,6.522878745280337,446.44600000000014,3.354700000000001,2,8,127.58,6,1
CHEMBL5922291,CC(C)(C)OC(=O)NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1,650.0,6.187086643357144,596.5700000000003,5.553100000000005,2,10,146.04000000000002,8,1
CHEMBL5865623,NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1,300.0,6.522878745280337,496.45300000000015,3.9871000000000025,2,9,133.73000000000002,7,1
CHEMBL5790139,CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)n1,300.0,6.522878745280337,497.4810000000002,4.838100000000003,2,8,120.84,7,1
CHEMBL5915049,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3cc(CN)ccn3)ccc2F)n1,300.0,6.522878745280337,474.5000000000002,3.418400000000001,3,8,140.70999999999998,7,1
CHEMBL5835534,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2F)n1,300.0,6.522878745280337,458.4970000000002,4.493600000000003,2,6,101.8,7,1
CHEMBL5924433,NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)nc(C(F)(F)F)c1,1000.0,6.0,495.46500000000015,4.592100000000003,2,8,120.84000000000002,7,1
CHEMBL5764774,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(C(F)(F)F)n3)ccc2F)c1,300.0,6.522878745280337,485.44100000000014,6.1235000000000035,1,6,81.93,6,1
CHEMBL5960635,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1,650.0,6.187086643357144,487.5390000000003,5.099900000000004,1,8,98.06,7,1
CHEMBL5841381,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(C4CC4)cn3)ccc2F)n1,300.0,6.522878745280337,458.49700000000024,5.377100000000004,1,7,94.82000000000001,7,1
CHEMBL6056097,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(CC(=O)c3ccc(F)c(F)c3)ccc2F)n1,300.0,6.522878745280337,479.4620000000002,5.0160000000000045,1,6,89.77,7,1
CHEMBL5816899,COC(=O)c1ccc(C(=O)Nc2ccc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c2)cc1,300.0,6.522878745280337,502.50600000000014,4.351300000000002,2,8,128.10000000000002,7,1
CHEMBL5924104,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(Br)n3)ccc2F)n1,300.0,6.522878745280337,497.32800000000015,5.2622000000000035,1,7,94.82000000000001,6,1
CHEMBL5921345,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccc(Br)cn3)ccc2F)n1,650.0,6.187086643357144,497.32800000000015,5.2622000000000035,1,7,94.82000000000001,6,1
CHEMBL5850823,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2F)n1,300.0,6.522878745280337,444.47000000000014,4.564700000000003,2,6,101.8,6,1
CHEMBL5844202,O=C(Cc1ccc(F)c(C(=O)Nc2cccc(-c3nncn3C(CF)CF)n2)c1)c1ccccc1,300.0,6.522878745280337,479.46200000000016,4.637000000000003,1,6,89.77,9,1
CHEMBL5837342,C.C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(CC(=O)c3ccccc3)ccc2F)n1,300.0,6.522878745280337,475.5240000000002,4.346300000000003,2,7,109.99999999999999,8,1
CHEMBL5761441,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(Nc3ccc(F)cc3)ccc2F)n1,650.0,6.187086643357144,450.4490000000001,4.167500000000002,3,7,104.96,7,1
CHEMBL5939117,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(NCc3ccc(F)cc3)ccc2F)n1,300.0,6.522878745280337,464.47600000000017,4.036000000000002,3,7,104.96,8,1
CHEMBL6062489,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C(C)(C)C)C3)n1,5.6,8.2518119729938,447.54300000000035,3.499100000000002,1,7,105.89999999999999,4,1
CHEMBL5892376,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)N(C)C)C3)n1,110.0,6.958607314841775,470.5590000000003,1.7327999999999997,1,8,126.20999999999998,6,1
CHEMBL6002597,CC(C)CN1CCc2cnc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,110.0,6.958607314841775,419.5330000000002,3.5824000000000025,1,7,88.83,6,1
CHEMBL5962177,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)c2ccc(F)cc2)C3)n1,5.6,8.2518119729938,485.5230000000003,3.9059000000000026,1,7,105.89999999999999,5,1
CHEMBL5845441,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)OC(C)(C)C)CC2,110.0,6.958607314841775,492.5800000000004,4.475100000000004,1,8,111.46999999999998,5,1
CHEMBL5825065,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)OC(C)C)CC2,110.0,6.958607314841775,478.55300000000034,4.0850000000000035,1,8,111.46999999999998,6,1
CHEMBL6039486,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(S(=O)(=O)C1CC1)CC2,5.6,8.2518119729938,496.59300000000036,3.0322000000000013,1,8,119.30999999999997,7,1
CHEMBL5929931,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(S(=O)(=O)CCC(F)(F)F)CC2,5.6,8.2518119729938,552.5790000000002,3.822200000000003,1,8,119.30999999999997,8,1
CHEMBL6031820,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(C)C)CC2,5.6,8.2518119729938,434.54400000000027,3.948400000000003,1,7,85.16999999999999,6,1
CHEMBL5957973,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OC(C)(C)C)C3)n1,5.6,8.2518119729938,480.5440000000004,4.6056000000000035,1,7,102.24000000000001,4,1
CHEMBL5926938,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)C(C)(C)C)CC2,5.6,8.2518119729938,476.58100000000036,4.112700000000004,1,7,102.23999999999998,5,1
CHEMBL5932890,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ncccn2)C3)n1,1.25,8.903089986991944,458.50100000000026,3.6651000000000016,1,8,101.72,5,1
CHEMBL5755245,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)C2CC2)C3)n1,5.6,8.2518119729938,467.55500000000035,2.4186000000000005,1,8,122.96999999999998,6,1
CHEMBL5755713,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCCC2)C3)n1,1.25,8.903089986991944,460.5420000000004,3.1422000000000017,1,7,109.13999999999999,4,1
CHEMBL5970441,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(Cc2ccccn2)C3)n1,1.25,8.903089986991944,454.5380000000003,3.521600000000003,1,8,101.72,6,1
CHEMBL5785846,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.6,8.2518119729938,435.4880000000002,3.0829000000000013,1,8,115.13000000000001,5,1
CHEMBL5971467,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,5.6,8.2518119729938,464.5260000000002,3.696500000000002,1,8,111.46999999999998,6,1
CHEMBL6014852,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)OCC(F)(F)F)CC2,1.25,8.903089986991944,518.4960000000002,4.238900000000004,1,8,111.46999999999998,6,1
CHEMBL6054369,CCNC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,1.25,8.903089986991944,463.5420000000002,3.2695000000000025,2,7,114.27,6,1
CHEMBL5929680,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C)CC2,1.25,8.903089986991944,406.49000000000024,3.169800000000002,1,7,85.16999999999999,5,1
CHEMBL5901818,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OCC(F)(F)F)C3)n1,5.6,8.2518119729938,506.4600000000003,4.369400000000003,1,7,102.24000000000001,5,1
CHEMBL5791231,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)c1ccc(F)cc1)CC2,1.25,8.903089986991944,514.5610000000003,4.519500000000004,1,7,102.23999999999998,6,1
CHEMBL5865594,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)N1CCCC1)CC2,1.25,8.903089986991944,489.58000000000044,3.7558000000000034,1,7,105.47999999999998,5,1
CHEMBL5782232,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)c2ccccc2)C3)n1,5.6,8.2518119729938,503.5880000000003,3.3153000000000024,1,8,122.96999999999998,6,1
CHEMBL5746633,CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OCC(F)(F)F)C3)n1,5.6,8.2518119729938,489.4580000000003,3.625300000000002,1,8,115.13,5,1
CHEMBL5780315,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C(=O)OCc1ccccc1)CC2,1.25,8.903089986991944,527.5850000000003,4.271800000000004,1,9,124.36,7,1
CHEMBL5771774,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C(=O)OC(C)C)CC2,1.25,8.903089986991944,479.54100000000034,3.480000000000002,1,9,124.36,6,1
CHEMBL5762618,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(S(=O)(=O)C1CC1)CC2,1.25,8.903089986991944,497.58100000000036,2.427200000000001,1,9,132.2,7,1
CHEMBL5744064,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C(=O)c1ccc(F)cc1)CC2,1.25,8.903089986991944,515.5490000000002,3.914500000000003,1,8,115.13,6,1
CHEMBL5821833,CCNC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,1.25,8.903089986991944,464.5300000000002,2.664500000000001,2,8,127.16000000000001,6,1
CHEMBL5880852,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C)CC2,1.25,8.903089986991944,407.47800000000024,2.564800000000001,1,8,98.06,5,1
CHEMBL5942092,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1,1.25,8.903089986991944,465.5140000000002,3.0915000000000017,1,9,124.36,6,1
CHEMBL6010242,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C(=O)OCC(F)(F)F)CC2,1.25,8.903089986991944,519.4840000000003,3.6339000000000024,1,9,124.36,6,1
CHEMBL5740217,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(S(=O)(=O)CCC(F)(F)F)CC2,5.6,8.2518119729938,553.5670000000001,3.217200000000002,1,9,132.2,8,1
CHEMBL5771773,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C(=O)C(C)(C)C)CC2,1.25,8.903089986991944,477.56900000000036,3.5077000000000025,1,8,115.13,5,1
CHEMBL5877647,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C(=O)N1CCCC1)CC2,1.25,8.903089986991944,490.56800000000044,3.150800000000002,1,8,118.36999999999999,5,1
CHEMBL5826865,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)C)n1)CN(C(C)C)CC2,5.6,8.2518119729938,435.53200000000027,3.3434000000000026,1,8,98.06,6,1
CHEMBL6036545,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)C2CC2)C3)n1,110.0,6.958607314841775,483.55400000000037,1.3909999999999993,2,9,143.2,7,1
CHEMBL6000119,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)N(C)C)C3)n1,1.25,8.903089986991944,486.55800000000033,0.7051999999999994,2,9,146.44,7,1
CHEMBL5873148,CC(C)CN1CCc2cnc(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,435.5320000000002,2.554800000000001,2,8,109.06,7,1
CHEMBL5893290,CCNC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,450.5030000000002,1.6282999999999996,3,8,138.16,6,1
CHEMBL5898653,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OCC(F)(F)F)C3)n1,1.25,8.903089986991944,505.45700000000033,2.5977000000000006,2,9,135.35999999999999,6,1
CHEMBL5839931,CC(C)OC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,482.5160000000002,3.1879000000000017,2,8,122.47,6,1
CHEMBL5774117,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OCCF)C3)n1,1.25,8.903089986991944,486.4790000000004,2.7490000000000006,2,8,122.47,7,1
CHEMBL5974203,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)C2CC2)C3)n1,1.25,8.903089986991944,500.5560000000004,2.1350999999999996,2,8,130.31,7,1
CHEMBL5742812,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,480.5250000000002,2.6689000000000007,2,9,131.7,7,1
CHEMBL5995174,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C(=O)OCC(F)(F)F)CC2,5.6,8.2518119729938,534.4950000000001,3.2113000000000023,2,9,131.7,7,1
CHEMBL6043887,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OC2CC2)C3)n1,5.6,8.2518119729938,480.5000000000004,2.9419000000000013,2,8,122.47,6,1
CHEMBL5983276,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N(C)C)C3)n1,5.6,8.2518119729938,467.50500000000034,2.3245000000000005,2,7,116.47999999999999,5,1
CHEMBL5983728,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C)C3)n1,5.6,8.2518119729938,410.45300000000026,2.2727000000000004,2,7,96.16999999999999,5,1
CHEMBL5747865,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)C(C)(C)C)C3)n1,5.6,8.2518119729938,480.5440000000004,3.215600000000002,2,7,113.24,5,1
CHEMBL6025672,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)CCC(F)(F)F)C3)n1,1.25,8.903089986991944,556.5420000000003,2.9251000000000014,2,8,130.31,8,1
CHEMBL5771942,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(S(=O)(=O)C1CC1)CC2,5.6,8.2518119729938,512.5920000000003,2.0046,2,9,139.54,8,1
CHEMBL5836796,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C(=O)c1ccc(F)cc1)CC2,5.6,8.2518119729938,530.5600000000002,3.491900000000003,2,8,122.47,7,1
CHEMBL6016336,CCNC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,479.5410000000002,2.2419000000000002,3,8,134.5,7,1
CHEMBL5826309,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C)CC2,1.25,8.903089986991944,422.48900000000026,2.1422,2,8,105.39999999999999,6,1
CHEMBL5842827,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(S(=O)(=O)c2ccccc2)C3)n1,1.25,8.903089986991944,519.5870000000003,2.2877,2,9,143.2,7,1
CHEMBL5868492,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCCC2)C3)n1,5.6,8.2518119729938,476.54100000000045,2.1146,2,8,129.36999999999998,5,1
CHEMBL5825513,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,451.48700000000025,2.0553,2,9,135.36,6,1
CHEMBL5892767,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(Cc2ccccn2)C3)n1,1.25,8.903089986991944,470.5370000000003,2.4940000000000007,2,9,121.94999999999999,7,1
CHEMBL6047444,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C(=O)OC(C)(C)C)CC2,1.25,8.903089986991944,508.5790000000004,3.4475000000000025,2,9,131.7,6,1
CHEMBL5918308,CC(C)COC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,496.54300000000023,3.435500000000002,2,8,122.47,7,1
CHEMBL5751907,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OC2CCCC2)C3)n1,5.6,8.2518119729938,508.5540000000005,3.722100000000003,2,8,122.47,6,1
CHEMBL5978719,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)c2ccc(F)cc2)C3)n1,5.6,8.2518119729938,518.5240000000003,3.6224000000000016,2,7,113.24,6,1
CHEMBL5963801,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C(=O)OC(C)C)CC2,5.6,8.2518119729938,494.55200000000036,3.057400000000002,2,9,131.7,7,1
CHEMBL5928579,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,468.4890000000002,2.799400000000001,2,8,122.47,6,1
CHEMBL5922479,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)OCC(F)(F)F)C3)n1,1.25,8.903089986991944,522.4590000000003,3.341800000000002,2,8,122.47,6,1
CHEMBL5834559,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCCC2)C3)n1,1.25,8.903089986991944,493.54300000000046,2.8587000000000007,2,7,116.47999999999999,5,1
CHEMBL5850326,CC(C)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,438.50700000000023,3.0513000000000012,2,7,96.17,6,1
CHEMBL6059329,CCNC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,467.5050000000002,2.3724000000000007,3,7,125.27000000000001,6,1
CHEMBL5943736,C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)NC2CCCC2)C3)n1,1.25,8.903089986991944,507.57000000000045,3.2951000000000015,3,7,125.27,6,1
CHEMBL6056085,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(S(=O)(=O)CCC(F)(F)F)CC2,1.25,8.903089986991944,568.5780000000002,2.794600000000001,2,9,139.54,9,1
CHEMBL6028243,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C(=O)C(C)(C)C)CC2,1.25,8.903089986991944,492.5800000000004,3.0851000000000015,2,8,122.47,6,1
CHEMBL5853538,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C(=O)N1CCCC1)CC2,1.25,8.903089986991944,505.57900000000046,2.728200000000001,2,8,125.71,6,1
CHEMBL5886644,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3[C@H](C)CO)n1)CN(C(C)C)CC2,1.25,8.903089986991944,450.5430000000003,2.9208000000000016,2,8,105.39999999999999,7,1
CHEMBL5804613,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OCc1ccccc1)CC2,1.25,8.903089986991944,543.5840000000002,3.244200000000002,2,10,144.59,8,1
CHEMBL5824709,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OC(C)C)CC2,1.25,8.903089986991944,495.54000000000036,2.452400000000001,2,10,144.59,7,1
CHEMBL6055067,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(S(=O)(=O)C1CC1)CC2,1.25,8.903089986991944,513.5800000000004,1.3995999999999997,2,10,152.43,8,1
CHEMBL5817571,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1ccc(F)cc1)CC2,1.25,8.903089986991944,531.5480000000001,2.8869000000000016,2,9,135.36,7,1
CHEMBL5814064,CCNC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,480.5290000000002,1.6368999999999996,3,9,147.39,7,1
CHEMBL5834855,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C)CC2,5.6,8.2518119729938,423.47700000000026,1.5372,2,9,118.29,6,1
CHEMBL5831724,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C(C)(C)CO)CC2,5.6,8.2518119729938,509.5670000000004,1.4524999999999997,3,10,155.59,8,1
CHEMBL5935859,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cn(C3CC3)cn1)CC2,5.6,8.2518119729938,543.5880000000002,2.2792000000000003,2,11,153.18,8,1
CHEMBL5907871,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1ncccn1)CC2,5.6,8.2518119729938,487.5240000000003,1.9020000000000001,2,11,144.07,7,1
CHEMBL6008063,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,481.5130000000002,2.0638999999999994,2,10,144.58999999999997,7,1
CHEMBL5807701,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OCC(F)(F)F)CC2,5.6,8.2518119729938,535.4830000000002,2.606300000000001,2,10,144.59,7,1
CHEMBL5884829,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(S(=O)(=O)CCC(F)(F)F)CC2,5.6,8.2518119729938,569.5660000000003,2.1896000000000004,2,10,152.43,9,1
CHEMBL5823560,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C(C)(C)C)CC2,1.25,8.903089986991944,493.5680000000004,2.4801,2,9,135.36,6,1
CHEMBL5837238,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)N1CCCC1)CC2,1.25,8.903089986991944,506.56700000000046,2.1231999999999998,2,9,138.60000000000002,6,1
CHEMBL5887796,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(C)C)CC2,1.25,8.903089986991944,451.5310000000003,2.3158000000000003,2,9,118.29,7,1
CHEMBL5891684,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C[C@H](C)O)CC2,1.25,8.903089986991944,495.54000000000036,1.2048999999999999,3,10,155.59,8,1
CHEMBL5797433,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cnn(C)c1)CC2,1.25,8.903089986991944,517.5500000000003,1.4812999999999996,2,11,153.18,7,1
CHEMBL6039708,COCCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,511.5390000000002,1.6903999999999992,2,11,153.82,9,1
CHEMBL5904626,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@@H]3CCC[C@@H]3O)n1)CN(C(=O)OCC(F)(F)F)CC2,5.6,8.2518119729938,561.5210000000003,3.1389000000000022,2,10,144.59,6,1
CHEMBL6039708,COCCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,511.5390000000002,1.6903999999999992,2,11,153.82,9,1
CHEMBL5871404,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cnn(C3CC3)c1)CC2,1.25,8.903089986991944,543.5880000000002,2.2792000000000003,2,11,153.18,8,1
CHEMBL6028628,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1c(N)c(=O)c1=O)CC2,5.6,8.2518119729938,504.5070000000004,0.2902000000000001,3,12,178.45,7,1
CHEMBL6028628,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1c(N)c(=O)c1=O)CC2,5.6,8.2518119729938,504.5070000000004,0.2902000000000001,3,12,178.45,7,1
CHEMBL5988049,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C(C)(C)CO)C3)n1,110.0,6.958607314841775,480.5290000000004,0.8388999999999991,3,10,159.25,7,1
CHEMBL5988049,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C(C)(C)CO)C3)n1,110.0,6.958607314841775,480.5290000000004,0.8388999999999991,3,10,159.25,7,1
CHEMBL5903231,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)c2cnn(C4CC4)c2)C3)n1,5.6,8.2518119729938,514.5500000000004,1.665599999999999,2,11,156.83999999999997,7,1
CHEMBL5903231,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)c2cnn(C4CC4)c2)C3)n1,5.6,8.2518119729938,514.5500000000004,1.665599999999999,2,11,156.83999999999997,7,1
CHEMBL5903474,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1ccccn1)CC2,1.25,8.903089986991944,514.5460000000003,2.1428000000000003,2,10,148.25,7,1
CHEMBL5903474,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1ccccn1)CC2,1.25,8.903089986991944,514.5460000000003,2.1428000000000003,2,10,148.25,7,1
CHEMBL5976526,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cc3ccccc3cn1)CC2,5.6,8.2518119729938,564.6060000000001,3.296000000000002,2,10,148.25,7,1
CHEMBL5976526,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cc3ccccc3cn1)CC2,5.6,8.2518119729938,564.6060000000001,3.296000000000002,2,10,148.25,7,1
CHEMBL5892873,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CF)n3)cc2C1,5.6,8.2518119729938,470.4800000000002,3.776600000000003,1,7,102.24,6,1
CHEMBL5892873,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@H](C)CF)n3)cc2C1,5.6,8.2518119729938,470.4800000000002,3.776600000000003,1,7,102.24,6,1
CHEMBL5907020,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(S(=O)(=O)c1ccccn1)CC2,1.25,8.903089986991944,550.6010000000001,1.6912999999999998,2,11,165.32,8,1
CHEMBL5907020,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(S(=O)(=O)c1ccccn1)CC2,1.25,8.903089986991944,550.6010000000001,1.6912999999999998,2,11,165.32,8,1
CHEMBL5899075,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C(C)(O)C(F)(F)F)CC2,1.25,8.903089986991944,549.5100000000001,1.7473000000000003,3,10,155.59,7,1
CHEMBL5899075,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C(C)(O)C(F)(F)F)CC2,1.25,8.903089986991944,549.5100000000001,1.7473000000000003,3,10,155.59,7,1
CHEMBL5833803,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)c2cn(C4CC4)cn2)C3)n1,5.6,8.2518119729938,514.5500000000004,1.6655999999999995,2,11,156.83999999999997,7,1
CHEMBL5833803,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)c2cn(C4CC4)cn2)C3)n1,5.6,8.2518119729938,514.5500000000004,1.6655999999999995,2,11,156.83999999999997,7,1
CHEMBL6038566,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@@H](C)CF)n3)cc2C1,5.6,8.2518119729938,470.4800000000002,3.776600000000003,1,7,102.24,6,1
CHEMBL6038566,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nncn4[C@@H](C)CF)n3)cc2C1,5.6,8.2518119729938,470.4800000000002,3.776600000000003,1,7,102.24,6,1
CHEMBL5950206,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(c2ncccn2)C3)n1,5.6,8.2518119729938,458.4860000000003,1.2883999999999998,2,11,147.73000000000002,6,1
CHEMBL5950206,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(c2ncccn2)C3)n1,5.6,8.2518119729938,458.4860000000003,1.2883999999999998,2,11,147.73000000000002,6,1
CHEMBL5781924,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,469.4770000000002,2.1944,2,9,135.36,6,1
CHEMBL5781924,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,469.4770000000002,2.1944,2,9,135.36,6,1
CHEMBL5798883,COCCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,110.0,6.958607314841775,499.5030000000002,1.8208999999999995,2,10,144.58999999999997,8,1
CHEMBL5798883,COCCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,110.0,6.958607314841775,499.5030000000002,1.8208999999999995,2,10,144.58999999999997,8,1
CHEMBL5941003,CCNC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,468.4930000000002,1.7673999999999994,3,8,138.16000000000003,6,1
CHEMBL5941003,CCNC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,468.4930000000002,1.7673999999999994,3,8,138.16000000000003,6,1
CHEMBL6007200,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cnccn1)CC2,1.25,8.903089986991944,515.5340000000002,1.5377999999999998,2,11,161.14,7,1
CHEMBL6007200,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cnccn1)CC2,1.25,8.903089986991944,515.5340000000002,1.5377999999999998,2,11,161.14,7,1
CHEMBL5923109,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)[C@@H](O)CC(C)C)CC2,1.25,8.903089986991944,523.5940000000003,1.8409999999999993,3,10,155.59,9,1
CHEMBL5923109,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)[C@@H](O)CC(C)C)CC2,1.25,8.903089986991944,523.5940000000003,1.8409999999999993,3,10,155.59,9,1
CHEMBL5811794,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C1(O)CC1)CC2,1.25,8.903089986991944,493.5240000000004,0.9588999999999995,3,10,155.59,7,1
CHEMBL5811794,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C1(O)CC1)CC2,1.25,8.903089986991944,493.5240000000004,0.9588999999999995,3,10,155.59,7,1
CHEMBL5761995,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C(C)(C)O)CC2,1.25,8.903089986991944,495.54000000000036,1.2048999999999999,3,10,155.59,7,1
CHEMBL5761995,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C(C)(C)O)CC2,1.25,8.903089986991944,495.54000000000036,1.2048999999999999,3,10,155.59,7,1
CHEMBL5781819,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCCCC2)C3)n1,5.6,8.2518119729938,508.5580000000005,2.6438000000000006,2,8,129.37,5,1
CHEMBL5781819,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCCCC2)C3)n1,5.6,8.2518119729938,508.5580000000005,2.6438000000000006,2,8,129.37,5,1
CHEMBL5849698,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)NC2CC2)C3)n1,110.0,6.958607314841775,516.5590000000003,1.0346999999999995,3,9,155.23000000000002,8,1
CHEMBL5849698,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)NC2CC2)C3)n1,110.0,6.958607314841775,516.5590000000003,1.0346999999999995,3,9,155.23000000000002,8,1
CHEMBL6016913,CCNS(=O)(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,504.5480000000002,0.8921999999999999,3,9,155.23000000000002,8,1
CHEMBL6016913,CCNS(=O)(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,5.6,8.2518119729938,504.5480000000002,0.8921999999999999,3,9,155.23000000000002,8,1
CHEMBL5798902,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)C2CC2)C3)n1,110.0,6.958607314841775,501.5440000000004,1.5300999999999998,2,9,143.2,7,1
CHEMBL5798902,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)C2CC2)C3)n1,110.0,6.958607314841775,501.5440000000004,1.5300999999999998,2,9,143.2,7,1
CHEMBL5977653,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C2CC2)C3)n1,110.0,6.958607314841775,437.4790000000003,2.2002999999999995,2,8,109.06,6,1
CHEMBL5977653,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C2CC2)C3)n1,110.0,6.958607314841775,437.4790000000003,2.2002999999999995,2,8,109.06,6,1
CHEMBL5781126,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(Cc2ccc(F)cc2)C3)n1,110.0,6.958607314841775,505.52900000000034,3.377200000000002,2,8,109.06,7,1
CHEMBL5781126,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(Cc2ccc(F)cc2)C3)n1,110.0,6.958607314841775,505.52900000000034,3.377200000000002,2,8,109.06,7,1
CHEMBL5948082,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ccccn2)C3)n1,5.6,8.2518119729938,474.5000000000003,2.637500000000001,2,9,121.95,6,1
CHEMBL5948082,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ccccn2)C3)n1,5.6,8.2518119729938,474.5000000000003,2.637500000000001,2,9,121.95,6,1
CHEMBL5964041,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ncccn2)C3)n1,5.6,8.2518119729938,475.4880000000003,2.0324999999999998,2,10,134.84,6,1
CHEMBL5964041,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ncccn2)C3)n1,5.6,8.2518119729938,475.4880000000003,2.0324999999999998,2,10,134.84,6,1
CHEMBL5969142,COCCC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,495.54000000000025,1.4704999999999993,2,10,144.58999999999997,9,1
CHEMBL5969142,COCCC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,495.54000000000025,1.4704999999999993,2,10,144.58999999999997,9,1
CHEMBL5830886,COCCC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,1.25,8.903089986991944,478.5530000000002,3.1031000000000013,1,8,111.46999999999998,8,1
CHEMBL5830886,COCCC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2C1,1.25,8.903089986991944,478.5530000000002,3.1031000000000013,1,8,111.46999999999998,8,1
CHEMBL5883817,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)C(C)(C)CO)CC2,1.25,8.903089986991944,492.5800000000004,3.0851000000000015,2,8,122.46999999999998,7,1
CHEMBL5883817,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)C(C)(C)CO)CC2,1.25,8.903089986991944,492.5800000000004,3.0851000000000015,2,8,122.46999999999998,7,1
CHEMBL6002326,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)C[C@H](C)O)CC2,1.25,8.903089986991944,478.55300000000034,2.8375000000000012,2,8,122.46999999999998,7,1
CHEMBL6002326,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)C[C@H](C)O)CC2,1.25,8.903089986991944,478.55300000000034,2.8375000000000012,2,8,122.46999999999998,7,1
CHEMBL6000664,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)[C@@H](O)CC(C)C)CC2,1.25,8.903089986991944,506.60700000000037,3.473600000000003,2,8,122.46999999999998,8,1
CHEMBL6000664,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)[C@@H](O)CC(C)C)CC2,1.25,8.903089986991944,506.60700000000037,3.473600000000003,2,8,122.46999999999998,8,1
CHEMBL5852461,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)C(C)(C)O)CC2,1.25,8.903089986991944,478.55300000000034,2.8375000000000012,2,8,122.46999999999998,6,1
CHEMBL5852461,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)C(C)(C)O)CC2,1.25,8.903089986991944,478.55300000000034,2.8375000000000012,2,8,122.46999999999998,6,1
CHEMBL5878565,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OCC(C)(C)O)CC2,1.25,8.903089986991944,525.5660000000004,1.8148999999999997,3,11,164.82,8,1
CHEMBL5878565,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OCC(C)(C)O)CC2,1.25,8.903089986991944,525.5660000000004,1.8148999999999997,3,11,164.82,8,1
CHEMBL5782702,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C1CCOCC1)CC2,1.25,8.903089986991944,521.5780000000004,1.8605999999999996,2,10,144.59,7,1
CHEMBL5782702,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)C1CCOCC1)CC2,1.25,8.903089986991944,521.5780000000004,1.8605999999999996,2,10,144.59,7,1
CHEMBL6031647,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(CC(=O)N1CCCC1)CC2,1.25,8.903089986991944,520.5940000000004,1.5297999999999998,2,10,138.60000000000002,8,1
CHEMBL6031647,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(CC(=O)N1CCCC1)CC2,1.25,8.903089986991944,520.5940000000004,1.5297999999999998,2,10,138.60000000000002,8,1
CHEMBL5845783,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)c2ccccn2)C3)n1,110.0,6.958607314841775,502.51000000000033,2.2733,2,9,139.02,6,1
CHEMBL5845783,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)c2ccccn2)C3)n1,110.0,6.958607314841775,502.51000000000033,2.2733,2,9,139.02,6,1
CHEMBL6041939,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)NC2CC2)C3)n1,5.6,8.2518119729938,480.50400000000036,1.9099,3,8,138.16000000000003,6,1
CHEMBL6041939,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)NC2CC2)C3)n1,5.6,8.2518119729938,480.50400000000036,1.9099,3,8,138.16000000000003,6,1
CHEMBL6044076,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCC2)C3)n1,5.6,8.2518119729938,480.5040000000004,1.8635999999999997,2,8,129.37,5,1
CHEMBL6044076,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(C(=O)N2CCC2)C3)n1,5.6,8.2518119729938,480.5040000000004,1.8635999999999997,2,8,129.37,5,1
CHEMBL5793898,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)Nc2ccc(F)cc2)C3)n1,110.0,6.958607314841775,570.5820000000002,2.5339,3,9,155.23000000000002,8,1
CHEMBL5793898,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)Nc2ccc(F)cc2)C3)n1,110.0,6.958607314841775,570.5820000000002,2.5339,3,9,155.23000000000002,8,1
CHEMBL5788060,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)c2ccc(F)cc2)C3)n1,110.0,6.958607314841775,555.5670000000002,2.565900000000001,2,9,143.2,7,1
CHEMBL5788060,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(S(=O)(=O)c2ccc(F)cc2)C3)n1,110.0,6.958607314841775,555.5670000000002,2.565900000000001,2,9,143.2,7,1
CHEMBL5798420,CCN1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,1000.0,6.0,425.4680000000002,2.0577999999999994,2,8,109.06,6,1
CHEMBL5798420,CCN1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,1000.0,6.0,425.4680000000002,2.0577999999999994,2,8,109.06,6,1
CHEMBL5758542,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCOCC2)C3)n1,5.6,8.2518119729938,493.5280000000005,0.7459999999999993,2,10,151.49,5,1
CHEMBL5758542,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N2CCOCC2)C3)n1,5.6,8.2518119729938,493.5280000000005,0.7459999999999993,2,10,151.49,5,1
CHEMBL5877222,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C(C)(C)O)C3)n1,5.6,8.2518119729938,466.50200000000035,0.5912999999999993,3,10,159.25,6,1
CHEMBL5877222,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)C(C)(C)O)C3)n1,5.6,8.2518119729938,466.50200000000035,0.5912999999999993,3,10,159.25,6,1
CHEMBL5881279,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OC[C@@H](O)C(F)(F)F)CC2,1.25,8.903089986991944,565.5090000000002,1.9672000000000003,3,11,164.82,8,1
CHEMBL5881279,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OC[C@@H](O)C(F)(F)F)CC2,1.25,8.903089986991944,565.5090000000002,1.9672000000000003,3,11,164.82,8,1
CHEMBL6061911,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)[C@@H]1CCOC1)CC2,1.25,8.903089986991944,507.55100000000044,1.4704999999999997,2,10,144.59,7,1
CHEMBL6061911,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)[C@@H]1CCOC1)CC2,1.25,8.903089986991944,507.55100000000044,1.4704999999999997,2,10,144.59,7,1
CHEMBL6017511,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OC1CCOC1)CC2,5.6,8.2518119729938,523.5500000000004,1.8329,2,11,153.82,7,1
CHEMBL6017511,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)OC1CCOC1)CC2,5.6,8.2518119729938,523.5500000000004,1.8329,2,11,153.82,7,1
CHEMBL5769313,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)N1CC[C@@H](O)C1)CC2,1.25,8.903089986991944,522.5660000000004,1.094,3,10,158.83,6,1
CHEMBL5769313,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)N1CC[C@@H](O)C1)CC2,1.25,8.903089986991944,522.5660000000004,1.094,3,10,158.83,6,1
CHEMBL6034190,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H]4CCC[C@@H]4O)n3)cc2C1,110.0,6.958607314841775,478.5130000000003,1.9828999999999997,2,10,148.25,5,1
CHEMBL6034190,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@H]4CCC[C@@H]4O)n3)cc2C1,110.0,6.958607314841775,478.5130000000003,1.9828999999999997,2,10,148.25,5,1
CHEMBL5965000,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@@H]4CCC[C@@H]4O)n3)cc2C1,110.0,6.958607314841775,478.5130000000003,1.9828999999999997,2,10,148.25,5,1
CHEMBL5965000,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4[C@@H]4CCC[C@@H]4O)n3)cc2C1,110.0,6.958607314841775,478.5130000000003,1.9828999999999997,2,10,148.25,5,1
CHEMBL5757833,CONC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,482.5010000000002,1.1783999999999992,3,10,156.62,7,1
CHEMBL5757833,CONC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnnn4[C@H](C)CO)n3)cc2C1,1.25,8.903089986991944,482.5010000000002,1.1783999999999992,3,10,156.62,7,1
CHEMBL5804075,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)ON1CCOC1=O)CC2,1.25,8.903089986991944,521.5340000000003,3.043800000000002,1,10,141.01,6,1
CHEMBL5804075,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(C(=O)ON1CCOC1=O)CC2,1.25,8.903089986991944,521.5340000000003,3.043800000000002,1,10,141.01,6,1
CHEMBL5881636,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)ON1CCOC1=O)CC2,1.25,8.903089986991944,538.5210000000003,1.4112,2,12,174.13,7,1
CHEMBL5881636,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)ON1CCOC1=O)CC2,1.25,8.903089986991944,538.5210000000003,1.4112,2,12,174.13,7,1
CHEMBL5770164,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1cccnc1)CC2,1.25,8.903089986991944,486.5360000000003,2.5070000000000006,2,10,131.18,7,1
CHEMBL5770164,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1cccnc1)CC2,1.25,8.903089986991944,486.5360000000003,2.5070000000000006,2,10,131.18,7,1
CHEMBL5902962,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(c1cncnc1)CC2,1.25,8.903089986991944,470.53700000000026,3.534600000000003,1,9,110.94999999999999,6,1
CHEMBL5902962,COc1cc2c(cc1C(=O)Nc1cccc(-c3nncn3C(C)C)n1)CN(c1cncnc1)CC2,1.25,8.903089986991944,470.53700000000026,3.534600000000003,1,9,110.94999999999999,6,1
CHEMBL5934383,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1ncc(F)cn1)CC2,5.6,8.2518119729938,505.5140000000003,2.0411,2,11,144.07,7,1
CHEMBL5934383,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1ncc(F)cn1)CC2,5.6,8.2518119729938,505.5140000000003,2.0411,2,11,144.07,7,1
CHEMBL5804536,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1ncns1)CC2,5.6,8.2518119729938,493.5530000000003,1.9635,2,12,144.07,7,1
CHEMBL5804536,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1ncns1)CC2,5.6,8.2518119729938,493.5530000000003,1.9635,2,12,144.07,7,1
CHEMBL5942270,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1cnc(F)cn1)CC2,5.6,8.2518119729938,505.5140000000003,2.0411,2,11,144.07,7,1
CHEMBL5978541,O=C1c2sccc2CN1c1cccc(-c2nncn2C2CC2)n1,1000.0,6.0,323.3810000000001,2.8969000000000005,0,6,63.910000000000004,3,1
CHEMBL5884937,CC(=O)c1ccccc1-c1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,1000.0,6.0,441.5160000000002,4.766500000000003,0,7,80.98,5,1
CHEMBL5871254,CC(=O)Nc1cccc(-c2cc3c(s2)C(=O)N(c2cccc(-c4nncn4C4CC4)n2)C3)c1,1000.0,6.0,456.53100000000023,4.522300000000003,1,7,93.01,5,1
CHEMBL5905516,O=C1c2sc(C3CCOCC3)cc2CN1c1cccc(-c2nncn2C2CC2)n1,1000.0,6.0,407.49900000000014,3.7909000000000024,0,7,73.14,4,1
CHEMBL5844355,Cc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,1000.0,6.0,337.40800000000013,3.2053200000000013,0,6,63.910000000000004,3,1
CHEMBL5766194,CCc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,1000.0,6.0,351.4350000000001,3.4593000000000016,0,6,63.910000000000004,4,1
CHEMBL5876120,O=C1c2scc(C3CCOCC3)c2CN1c1cccc(-c2nncn2C2CC2)n1,5500.0,5.259637310505756,407.4990000000001,3.7909000000000024,0,7,73.14,4,0
CHEMBL5811360,Cc1csc2c1CN(c1cccc(-c3nncn3C3CC3)n1)C2=O,1000.0,6.0,337.4080000000002,3.2053200000000013,0,6,63.910000000000004,3,1
CHEMBL5851378,O=C1c2scc(Br)c2CN1c1cccc(-c2nncn2C2CC2)n1,1000.0,6.0,402.27700000000016,3.6594000000000024,0,6,63.910000000000004,3,1
CHEMBL5851378,O=C1c2scc(Br)c2CN1c1cccc(-c2nncn2C2CC2)n1,5500.0,5.259637310505756,402.27700000000016,3.6594000000000024,0,6,63.910000000000004,3,0
CHEMBL5995892,O=C1c2sc3ccccc3c2CN1c1cccc(-c2nncn2C2CC2)n1,1000.0,6.0,373.4410000000001,4.050100000000003,0,6,63.910000000000004,3,1
CHEMBL5831706,COc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2,1000.0,6.0,353.40700000000015,2.905500000000001,0,7,73.14,4,1
CHEMBL5811326,CC(C)n1cnnc1-c1cccc(N2Cc3ccsc3C2=O)n1,1000.0,6.0,325.3970000000001,3.142900000000002,0,6,63.910000000000004,3,1
CHEMBL5896184,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnc5n4CCCC5)n3)cc2C1,55.0,7.259637310505756,476.5370000000003,3.451900000000002,1,8,111.46999999999998,5,1
CHEMBL5995450,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnc5n4C(C)(C)CC5)n3)cc2C1,1.25,8.903089986991944,490.5640000000003,3.7969000000000026,1,8,111.46999999999998,5,1
CHEMBL5785432,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnc5n4[C@H](C)CC5)n3)cc2C1,1.25,8.903089986991944,476.53700000000026,3.6228000000000025,1,8,111.46999999999998,5,1
CHEMBL5757473,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnc5n4[C@@H](C)CC5)n3)cc2C1,5.6,8.2518119729938,476.53700000000026,3.6228000000000025,1,8,111.46999999999998,5,1
CHEMBL5983213,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnc5n4CCC5)n3)cc2C1,55.0,7.259637310505756,433.4720000000003,2.448200000000001,1,8,115.13000000000001,4,1
CHEMBL5968047,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnc5n4CCCC5)n3)cc2C1,1000.0,6.0,447.49900000000036,2.838300000000001,1,8,115.13000000000001,4,1
CHEMBL6047705,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnc5n4[C@@H](C)CC5)n3)cc2C1,55.0,7.259637310505756,447.4990000000003,3.0092000000000017,1,8,115.13000000000001,4,1
CHEMBL6051246,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4CCC5)n3)cc2C1,550.0,6.259637310505756,450.4740000000003,3.192300000000002,1,7,102.24,4,1
CHEMBL5974232,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4CCCC5)n3)cc2C1,1000.0,6.0,464.5010000000003,3.5824000000000025,1,7,102.24,4,1
CHEMBL5972820,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnc5n4C(C)(C)CC5)n3)cc2C1,5.6,8.2518119729938,461.52600000000035,3.183300000000002,1,8,115.13000000000001,4,1
CHEMBL5848967,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4C(C)(C)CC5)n3)cc2C1,5.6,8.2518119729938,478.5280000000003,3.927400000000003,1,7,102.24,4,1
CHEMBL6037570,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4[C@H](C)CC5)n3)cc2C1,5.6,8.2518119729938,464.50100000000026,3.753300000000003,1,7,102.24,4,1
CHEMBL5901808,CCOC(=O)N1CCc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4[C@@H](C)CC5)n3)cc2C1,55.0,7.259637310505756,464.50100000000026,3.753300000000003,1,7,102.24,4,1
CHEMBL5947822,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnc4n3C(C)(C)CC4)n1)CN(C(=O)OC(C)(C)C)CC2,5.6,8.2518119729938,518.6180000000004,4.575500000000004,1,8,111.46999999999998,4,1
CHEMBL5862505,CCOC(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnc5n4[C@H](C)CC5)n3)cc2C1,5.6,8.2518119729938,447.4990000000003,3.0092000000000017,1,8,115.13000000000001,4,1
CHEMBL6047805,COCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnc5n4C(C)(C)CC5)n3)cc2C1,1.25,8.903089986991944,506.56300000000033,3.3809000000000022,1,9,120.7,6,1
CHEMBL5981623,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnc4n3C(C)(C)CC4)n1)CN(C(=O)C(C)(C)CO)CC2,1.25,8.903089986991944,518.6180000000004,3.185500000000002,2,8,122.46999999999998,6,1
CHEMBL5956428,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnc4n3C(C)(C)CC4)n1)CN(C(=O)C[C@H](C)O)CC2,1.25,8.903089986991944,504.59100000000046,2.9379000000000017,2,8,122.46999999999998,6,1
CHEMBL5999083,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnc4n3C(C)(C)CC4)n1)CN(C(=O)[C@@H](O)CC(C)C)CC2,1.25,8.903089986991944,532.6450000000003,3.5740000000000025,2,8,122.46999999999998,7,1
CHEMBL5954522,COc1cc2c(cc1C(=O)Nc1cccc(-c3nnc4n3C(C)(C)CC4)n1)CN(C(=O)C(C)(C)O)CC2,1.25,8.903089986991944,504.59100000000046,2.9379000000000017,2,8,122.46999999999998,5,1
CHEMBL5945502,CCOC(=O)N1CCc2cc(OC)c(C(=O)Nc3cccc(-c4nnc5n4CCC5)n3)cc2C1,5.6,8.2518119729938,462.5100000000003,3.0618000000000016,1,8,111.46999999999998,5,1
CHEMBL5772652,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,446.49000000000024,4.078920000000003,1,8,103.41000000000001,6,1
CHEMBL5903369,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,444.4740000000003,3.8329200000000023,1,8,103.41000000000001,6,1
CHEMBL5827689,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3(C)CC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,458.5010000000003,4.0070200000000025,1,8,103.41000000000001,6,1
CHEMBL5804066,CC(=O)OC[C@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL5802743,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H](C)CO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,462.48900000000026,3.0513200000000014,2,9,123.64000000000003,7,1
CHEMBL6040656,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,550.0,6.259637310505756,504.52600000000035,3.6221200000000024,1,10,129.71,8,1
CHEMBL5825731,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,462.48900000000026,3.0513200000000014,2,9,123.64000000000003,7,1
CHEMBL5995663,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CCCC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,472.52800000000036,4.613120000000003,1,8,103.41000000000001,6,1
CHEMBL6002542,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,460.5170000000003,4.154020000000003,1,8,103.41000000000001,7,1
CHEMBL5995580,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CCC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,458.5010000000003,4.2230200000000035,1,8,103.41000000000001,6,1
CHEMBL5973729,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C3CC(F)(F)C3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,494.4810000000003,4.468220000000002,1,8,103.41000000000001,6,1
CHEMBL5959145,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(F)F)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,468.4430000000002,3.7631200000000025,1,8,103.41000000000001,7,1
CHEMBL5957414,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3CC(C)(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.5440000000003,4.544120000000003,1,8,103.41000000000001,6,1
CHEMBL5783318,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CF)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,464.48000000000025,4.028520000000003,1,8,103.41000000000001,7,1
CHEMBL5851667,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H](C)CF)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,464.48000000000025,4.028520000000003,1,8,103.41000000000001,7,1
CHEMBL5926416,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,500.4600000000002,4.6213200000000025,1,8,103.41000000000001,6,1
CHEMBL5748729,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@@H]3CCOC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.4594200000000015,1,9,112.64000000000003,6,1
CHEMBL5844895,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3CCOC3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.50000000000034,3.4594200000000015,1,9,112.64000000000003,6,1
CHEMBL5814645,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C(=O)O)n2)cc1-n1cnc(C2CC2)c1,550.0,6.259637310505756,476.47200000000026,3.143620000000001,2,9,140.71000000000004,7,1
CHEMBL5834841,CC(=O)NC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,55.0,7.259637310505756,503.5420000000003,3.195120000000002,2,9,132.51000000000002,8,1
CHEMBL5934268,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H]3C[C@@H](O)C3)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,474.5000000000003,3.1938200000000014,2,9,123.64000000000003,6,1
CHEMBL6005817,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CCO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,476.5160000000003,3.4414200000000017,2,9,123.64000000000003,8,1
CHEMBL5839539,CC(=O)OCC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,5.5,8.259637310505756,518.5530000000002,4.012220000000003,1,10,129.71,9,1
CHEMBL6015111,CCCC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cc2F)n1,55.0,7.259637310505756,532.5800000000003,4.402320000000003,1,10,129.71,10,1
CHEMBL5772302,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)COC(=O)c3ccccc3)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,566.5970000000001,4.916020000000004,1,10,129.71000000000004,9,1
CHEMBL5945418,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(CO)CO)n2)cc1-n1cnc(C2CC2)c1,1.0,9.0,478.4880000000003,2.023719999999999,3,10,143.87,8,1
CHEMBL5777221,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,55.0,7.259637310505756,474.42200000000014,4.220320000000003,1,8,103.41000000000001,5,1
CHEMBL5909662,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(F)(F)F)c1,5.5,8.259637310505756,490.42100000000016,3.1927200000000013,2,9,123.64000000000003,6,1
CHEMBL5846515,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,462.53300000000024,4.499020000000003,1,8,103.41000000000001,5,1
CHEMBL5805615,CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C(C)(C)C)c3)c(C)cc2F)n1,5.5,8.259637310505756,520.5690000000003,4.042220000000003,1,10,129.71,7,1
CHEMBL5844537,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cc2F)n1,5.5,8.259637310505756,482.4700000000002,4.7081000000000035,1,8,103.41,7,1
CHEMBL6062879,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cc2F)n1,5.5,8.259637310505756,498.4690000000002,3.680500000000002,2,9,123.64000000000001,8,1
CHEMBL5928360,C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(CO)cc2F)n1,5.5,8.259637310505756,478.4880000000003,2.2352,3,10,143.87,8,1
CHEMBL5946825,Cc1cc(F)c(C(=O)Nc2ccnc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,447.47800000000024,3.4739200000000015,1,9,116.3,6,1
CHEMBL5931390,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)c2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,445.50200000000024,4.683920000000003,1,7,90.52000000000002,6,1
CHEMBL5954751,Cc1cc(F)c(C(=O)Nc2ccnc(-c3nnn[nH]3)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,405.39700000000016,2.41962,2,8,127.16000000000001,5,1
CHEMBL5986352,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cc2F)n1,5.5,8.259637310505756,500.4600000000002,4.789300000000003,1,8,103.41,6,1
CHEMBL5898390,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1,5.5,8.259637310505756,439.48000000000013,3.227000000000001,1,10,116.30000000000001,6,1
CHEMBL6007677,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)n1,5.5,8.259637310505756,433.4510000000002,3.1655000000000015,1,9,116.3,6,1
CHEMBL5777130,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)n1,55.0,7.259637310505756,498.5950000000004,4.016700000000003,1,10,119.53999999999999,7,1
CHEMBL6003479,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1,55.0,7.259637310505756,504.62400000000036,4.078200000000003,1,11,119.54,7,1
CHEMBL5751315,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)cs1,5.5,8.259637310505756,490.5970000000003,3.688100000000002,1,11,119.54,7,1
CHEMBL5945152,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)n1,5.5,8.259637310505756,484.5680000000004,3.6266000000000025,1,10,119.53999999999999,7,1
CHEMBL5768799,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)cs1,5.5,8.259637310505756,519.6390000000004,2.8397000000000006,1,12,122.78,7,1
CHEMBL5899980,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)cs1,5.5,8.259637310505756,506.59600000000034,2.924500000000001,1,12,128.77,7,1
CHEMBL5908420,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)n1,5.5,8.259637310505756,500.5670000000004,2.8630000000000013,1,11,128.76999999999998,7,1
CHEMBL5866949,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)n1,5.5,8.259637310505756,513.6100000000004,2.778200000000001,1,11,122.77999999999999,7,1
CHEMBL5880103,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,429.4880000000002,3.3348200000000014,1,9,116.3,6,1
CHEMBL6049835,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,445.48700000000025,2.30722,2,10,136.53000000000003,7,1
CHEMBL5782278,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,5.5,8.259637310505756,457.42000000000013,3.4762200000000023,1,9,116.3,5,1
CHEMBL5888137,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(F)(F)F)c1,5.5,8.259637310505756,473.41900000000015,2.44862,2,10,136.53000000000003,6,1
CHEMBL6015054,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.754920000000003,1,9,116.3,5,1
CHEMBL5797949,Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,461.53000000000026,2.7273200000000006,2,10,136.53000000000003,6,1
CHEMBL5955292,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,465.4680000000002,3.964000000000002,1,9,116.3,7,1
CHEMBL6001900,CC(CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)n1,5.5,8.259637310505756,481.4670000000002,2.936400000000001,2,10,136.53000000000003,8,1
CHEMBL5911029,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)F)cn2)cs1,5.5,8.259637310505756,471.4970000000001,4.025500000000003,1,10,116.30000000000001,7,1
CHEMBL5946728,CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)n1,5.5,8.259637310505756,483.4580000000002,4.045200000000003,1,9,116.3,6,1
CHEMBL5756196,CC(CO)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)n1,5.5,8.259637310505756,499.4570000000002,3.0176000000000007,2,10,136.53000000000003,7,1
CHEMBL5982209,CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C(F)(F)F)cn2)cs1,5.5,8.259637310505756,489.48700000000014,4.106700000000003,1,10,116.30000000000001,6,1
CHEMBL5834380,COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1,5.5,8.259637310505756,458.5260000000001,3.9484200000000023,1,9,112.64,7,1
CHEMBL5996048,COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)CO)n1,5.5,8.259637310505756,474.52500000000015,2.9208200000000013,2,10,132.87,8,1
CHEMBL5831110,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,446.4900000000003,3.943620000000003,1,8,103.41000000000001,6,1
CHEMBL5777221,Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,550.0,6.259637310505756,474.42200000000014,4.220320000000003,1,8,103.41000000000001,5,1
CHEMBL6043682,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,5.5,8.259637310505756,429.4880000000002,3.1995200000000015,1,9,116.3,6,1
CHEMBL5971237,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(F)(F)F)c1,55.0,7.259637310505756,457.42000000000013,3.3409200000000014,1,9,116.3,5,1
CHEMBL5931015,Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,445.53100000000023,3.619620000000002,1,9,116.3,5,1
CHEMBL5948166,Cc1cc(F)c(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-n1cnc(C(C)(C)C)c1,5.5,8.259637310505756,462.5330000000003,4.363720000000003,1,8,103.41000000000001,5,1
CHEMBL5945186,Cc1cc(F)c(C(=O)Nc2cccc(-n3cnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,445.5020000000003,4.548620000000003,1,7,90.52,6,1
CHEMBL5920294,Cc1cc(F)c(C(=O)Nc2cccc(-n3cnnc3)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,403.4210000000002,3.4252200000000013,1,7,90.52,5,1
CHEMBL5840554,Cc1cc(F)c(C(=O)Nc2cccc(-n3ccnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1000.0,6.0,444.51400000000024,5.153620000000003,1,6,77.63000000000001,6,1
CHEMBL6026397,Cc1cc(F)c(C(=O)Nc2cccc(-c3cnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,55.0,7.259637310505756,445.50200000000024,4.683920000000002,1,7,90.52,6,1