pde10a_dockingScores.csv

docking_folder,PLANTS,rDock,smina,SMILES,pic50
5sdu_123,-111.75,-85.0819,-10.41106,COc1c(Cl)ccc2nc(CCc3nc(-c4ccccc4)cn3C)[nH]c(=O)c12,7.480408242689392
5sdu_142,-108.957,-71.5014,-9.88228,Cc1oc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1,5.696885191335948
5sdu_245,-92.3679,-81.9825,-9.88559,COc1c(C)cnc(/C=C/c2nc(-c3ccccc3)cn2C)c1C,6.0054158405195714
5sdu_361,-98.1654,-75.7812,-9.14867,Cn1cc(-c2ccccc2)nc1CCc1ncoc1-c1ccccc1,5.999272731729044
5sdv_1106,-66.5347,-65.2118,-8.10922,Cc1oc(C2CC2)nc1CNC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.1101836133927385
5sdw_195,-98.5971,-72.1343,-10.07657,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1,9.438467849880965
5sdw_256,-98.9554,-81.2729,-8.74493,CCn1nc(C)cc1C(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1C(=O)NCCOC,7.8422713162885485
5sdw_307,-105.227,-68.7178,-11.10338,O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3)[nH]c2c1,6.429472237340998
5sdw_358,-104.26,-79.1321,-10.10459,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(Cl)c(C)nn1C,7.6625407387093425
5sdw_369,-100.063,-76.4313,-9.6548,CCn1nc(C)cc1C(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1C(=O)NC,7.655038211210317
5sdw_391,-101.879,-72.3931,-9.87821,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C)n1,6.705282528907662
5sdw_430,-99.0125,-74.2513,-9.67612,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n[nH]1,6.448618323386773
5sdw_439,-88.6745,-80.3619,-10.04511,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C,7.159392120990709
5sdw_452,-99.5267,-72.6842,-9.62428,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccnn1C,7.848293142977423
5sdw_453,-83.7205,-74.8267,-9.96079,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCOCC2)cnn1C,6.708369230851001
5sdw_482,-97.1829,-68.8314,-9.05949,CCn1nccc1C(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1C(=O)NC,7.949813650324639
5sdw_526,-95.4837,-70.5247,-9.27368,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccn(C)n1,6.9517485819093245
5sdw_558,-93.1212,-69.6335,-8.75693,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)nn1C(C)(C)C,6.024781024951152
5sdw_619,-94.5491,-69.3269,-9.25377,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc[nH]n1,6.408079896496112
5sdw_650,-100.204,-74.6236,-9.81944,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C(C)(C)C)nn1C,6.940156482455419
5sdw_713,-98.9148,-77.879,-10.17277,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C(C)(C)C)n1,7.120044414877251
5sdw_731,-95.4743,-75.3344,-9.63407,Cc1cc(C(=O)Nc2cc3[nH]c(-c4ccccc4)nc3cc2C(F)(F)F)n(C)n1,5.0
5sdy_1002,-63.206,-79.1582,-7.65916,CNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1CCOC,7.547968096343187
5sdy_1047,-60.4637,-75.7638,-7.72332,CNC(=O)c1c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cnn1CCOC,9.07974621576546
5sdy_1049,-72.8948,-71.94,-7.74167,CNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1C,6.842383083195893
5sdy_1053,-74.9455,-69.5604,-7.85598,CNC(=O)c1c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cnn1C,7.842482791467388
5sdy_1107,-60.2394,-72.3167,-7.6052,CCOC(=O)c1nnsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.444497841286831
5sdy_1123,-69.6023,-75.3484,-7.88621,CNC(=O)c1c(NC(=O)c2nc(Cl)ccc2Nc2cncnc2)cnn1C,6.474718016275105
5sdy_614,-91.1383,-69.3742,-8.7519,O=C(Nc1cnn(Cc2ccccc2)c1)c1nc(C2CC2)ccc1Nc1cncnc1,7.159956669396506
5sdy_637,-67.7997,-84.6171,-7.94345,CNC(=O)c1c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cnn1CC1CC1,6.592291352426496
5sdy_743,-82.7002,-68.4941,-8.77481,O=C(Nc1sccc1C(=O)N1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1,9.361510743045361
5sdy_853,-75.5538,-69.9648,-7.97044,CNC(=O)c1c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cnn1CCC(F)(F)F,6.693628592361956
5sdy_944,-64.419,-74.5026,-7.43628,COCCn1ncc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c1C(=O)N(C)C,7.899181604268462
5sdz_1001,-82.705,-70.0046,-8.63791,CNC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,5.729422239318764
5sdz_611,-83.8658,-80.6983,-8.66256,CNC(=O)c1nn(CCOC)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.040887026575774
5sdz_930,-75.7137,-85.2486,-8.44876,Cc1ncc(Nc2cncnc2)c(C(=O)Nc2cn(C)nc2C(=O)NCC(C)(C)O)n1,7.0990760204777565
5se0_103,-98.0289,-76.1083,-10.09018,O=C(Nc1cc(-c2ccccn2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1,8.64723880827617
5se0_107,-97.1869,-85.243,-9.87257,CCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1,9.006123085058787
5se0_284,-90.3519,-78.4394,-9.9027,O=C(Nc1cc(-c2ccccc2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1,6.914845048453201
5se0_41,-95.6387,-84.5698,-10.07245,CCOC(=O)Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.427360702957186
5se0_459,-84.1727,-81.599,-9.52526,COc1ccc(-c2nnc(NC(=O)c3nc(C4CC4)ccc3Nc3cncnc3)s2)cc1,5.74797252895581
5se0_53,-93.7445,-84.3215,-9.86463,COCCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,9.742321425130816
5se0_6,-100.311,-88.028,-10.86155,O=C(Nc1cc(-c2ccc3ccccc3n2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1,10.04970720667502
5se0_642,-83.099,-82.029,-8.849,O=C(Nc1ccnn1CC(F)F)c1nc(C2CC2)ccc1Nc1cncnc1,7.341626047239485
5se0_69,-100.086,-81.2507,-10.1624,O=C(Nc1cc(-c2ccc(Cl)cn2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1,8.798329820353418
5se0_77,-99.6174,-81.9093,-10.33064,O=C(Nc1cc(-c2cccc(Cl)n2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1,8.85078088734462
5se0_797,-83.7766,-74.8177,-9.74574,O=C(Nc1nnc(-c2ccccn2)o1)c1nc(C2CC2)ccc1Nc1cncnc1,5.587909536759456
5se0_8,-108.105,-82.5613,-10.79085,O=C(Nc1cc(-c2ccccn2)nn1CC1CCCC1)c1nc(C2CC2)ccc1Nc1cncnc1,8.950007143079857
5se0_860,-73.2057,-79.0236,-8.69631,O=C(Nc1ccnn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1,7.307364553449835
5se0_868,-78.1643,-72.8645,-7.87321,COCCn1nccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.366622452779459
5se0_91,-93.3067,-82.9935,-9.41465,COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1,8.280585840297405
5se1_1014,-91.0874,-71.1438,-8.53892,CNC(=O)c1nn(CCC(F)(F)F)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,6.8266855024850255
5se1_1020,-98.4112,-68.351,-8.71653,CN(C)C(=O)c1nn(CC(F)(F)F)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,6.474134051226964
5se1_1023,-89.0679,-67.8627,-8.16649,COCCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N(C)C)n1,6.904823672006097
5se1_1056,-92.0618,-64.5877,-8.3092,CNC(=O)c1nn(CC2CC2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,6.305226380110555
5se1_1080,-90.3641,-68.7349,-8.69871,Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCC2)n1,7.479222989966992
5se1_1081,-95.561,-66.1108,-8.45825,CNC(=O)c1nn(CC(F)(F)F)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,6.855039924322437
5se1_1085,-94.9668,-66.3606,-8.51399,CN(C)C(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.501317353242983
5se1_1087,-64.3548,-70.0425,-8.02033,Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CCC2)n1,8.506402550999473
5se1_1091,-65.9665,-70.7249,-7.75311,Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CC2)n1,8.509339346643863
5se1_1097,-84.5427,-71.2219,-8.39034,O=C(Nc1cnn(-c2ccccn2)c1)c1nc(C2CC2)ccc1Nc1cncnc1,7.261528629739718
5se1_1103,-92.3833,-67.8514,-8.79309,CN(C)C(=O)c1nn(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.169025354115101
5se1_1122,-89.738,-83.8843,-7.15792,CNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)ccc1N(C)c1cncnc1,5.0
5se1_1141,-89.9883,-67.5152,-8.20054,CNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.33752549624969
5se1_1148,-88.2761,-68.8724,-7.9764,Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(N)=O)n1,8.12234075588839
5se2_129,-117.032,-67.4494,-10.90787,Cc1nc(CCc2nc(-c3ccccc3)cn2C)nc2ccccc12,8.280172763168315
5se2_170,-114.242,-66.5149,-10.70447,Cn1cc(-c2ccccc2)nc1CCc1nc(O)c2ccccc2n1,7.224258518943578
5se2_180,-105.898,-71.4674,-11.52156,Cn1cc(-c2ccccc2)nc1/C=C/c1ccc2ccccc2n1,6.56619657553582
5se2_197,-107.568,-71.4465,-9.43797,COc1c(C)cnc(CCc2nc(-c3ccccc3)cn2C)c1C,6.166908374186513
5se2_233,-110.616,-65.1105,-9.54956,Cn1cc(-c2ccccc2)nc1CCc1cccc(N2CCCC2)n1,5.734650256100076
5se2_237,-109.82,-69.6083,-9.83281,Cn1cc(-c2ccccc2)nc1CCc1cccc(-c2ccccn2)n1,5.615918575567311
5se2_296,-117.419,-66.0922,-10.1323,Cn1cc(-c2cccc(CCc3nc(-c4ccccc4)cn3C)n2)cn1,5.186845910502952
5se2_328,-107.453,-64.0997,-9.65883,Cc1cccc(CCc2nc(-c3ccccc3)cn2C)n1,5.032717923338144
5se2_465,-94.7216,-69.4503,-9.47245,Cn1cc(-c2ccccc2)nc1/C=C/c1ncc(Cl)nc1Cl,6.083913119565402
5se2_467,-104.242,-62.9845,-8.98555,Cn1cc(-c2ccccc2)nc1CCc1ccccn1,5.0
5se2_48,-118.591,-74.8125,-9.77833,CC(C)n1ncc2cc(CCc3nc(-c4ccccc4)cn3C)ncc21,6.065864791007922
5se2_52,-122.55,-69.8985,-10.94719,Cn1cc(-c2ccccc2)nc1CCc1nc2cccc(Cl)c2c(=O)[nH]1,6.9127902115846345
5se2_543,-92.6751,-71.3875,-10.05032,Cn1cc(-c2ccccc2)nc1/C=C/c1cc(Cl)nc(Cl)n1,5.636422614639201
5se2_55,-114.005,-73.5303,-10.74186,CN(C)c1nc(CCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12,8.487715936718146
5se2_70,-119.949,-78.3092,-11.28363,Cc1cc(Cl)cc2c(=O)[nH]c(CCc3nc(-c4ccccc4)cn3C)nc12,7.090829230291962
5se2_701,-91.9443,-61.3256,-9.05492,COc1c(C)cnc(CCc2ccc3ccccc3n2)c1C,5.830727430131515
5se2_74,-121.328,-74.0645,-11.09492,Cc1cccc2c(=O)[nH]c(CCc3nc(-c4ccccc4)cn3C)nc12,7.830560701021057
5se2_93,-117.265,-73.627,-10.96449,Cn1cc(-c2ccccc2)nc1CCc1nc2ccc(Cl)cc2c(=O)[nH]1,8.03919637508823
5se2_94,-114.43,-71.5513,-11.0209,Cn1cc(-c2ccccc2)nc1CCc1nc(-c2ccccc2)cc(=O)[nH]1,6.005250528154994
5se3_101,-98.2373,-83.0843,-10.34751,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(NC2CC2)c1,8.213174311153443
5se3_116,-101.664,-82.4222,-10.20428,CC(C)Oc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1,7.187527843324371
5se3_132,-101.146,-83.2541,-10.89825,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCC2)c1,7.3163145854068095
5se3_167,-93.6585,-81.6883,-10.3677,CN(C)c1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1,6.880612126377664
5se3_199,-98.0069,-81.4795,-10.36629,CNc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1,7.065688436587865
5se3_327,-102.672,-80.2688,-10.58063,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(Cl)c1,7.417663867594197
5se3_478,-97.4465,-73.9043,-9.48537,Cc1noc(C(F)(F)F)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,5.0298659057863215
5se3_518,-98.9913,-70.2575,-10.11497,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cnc(Cl)c(Cl)c1,5.986262232329218
5se3_684,-95.1134,-68.7082,-9.83593,Cc1ccc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cn1,5.330474485012408
5se3_813,-91.9191,-67.4984,-9.40981,Cc1ncc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cn1,5.0
5se3_897,-93.593,-68.5774,-9.5344,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1ccc(Cl)nn1,5.0
5se4_1073,-99.3169,-74.1286,-9.58752,Cc1cc(C)n2nc(CCc3nc4c(Cl)cc(Cl)c(C)n4n3)nc2n1,6.557819793598247
5se4_1094,-97.6158,-69.7052,-8.7733,Cc1cc(C)n2nc(CCc3nc(N4CCC4)nn3C)nc2n1,7.038336907592649
5se4_1140,-95.4043,-70.2216,-8.3972,Cc1cc(C)n2nc(CCc3nc(N(C)C)nn3C)nc2n1,6.271477403592459
5se4_1144,-86.2202,-73.0807,-8.70916,Cc1cc(C)n2nc(/C=C/c3nc(N(C)C)nn3C)nc2n1,6.03419879370026
5se4_1158,-76.7568,-70.1966,-8.3909,Cc1cc(C)n2nc(/C=C/c3nc(Br)nn3C)nc2n1,5.0
5se4_1159,-82.4472,-66.7601,-7.72847,Cc1cc(C)n2nc(CCc3ncnn3C)nc2n1,5.0
5se4_687,-115.47,-74.0239,-10.23573,Cc1nc2nc(CCc3nc(-c4ccccc4)cn3C)[nH]c(=O)c2n1C,6.479258456395312
5se4_854,-111.905,-75.7393,-9.97086,Cn1cc(-c2ccccc2)nc1CCc1nc2c(cnn2C)c(=O)[nH]1,7.302857873724541
5se4_992,-104.958,-74.4564,-9.23979,Cc1cc(C)n2nc(CCc3cccc(N4CCCC4)n3)nc2n1,6.942371927044432
5se4_998,-105.093,-74.2776,-9.21632,Cc1cc(C)n2nc(CCc3cncc(N4CCCC4)n3)nc2n1,6.512016492641047
5se5_1000,-88.9588,-68.5139,-8.13137,CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.157285943336735
5se5_1015,-77.0107,-69.4184,-7.86655,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(CCc2ccccc2)CC1,5.0
5se5_1018,-80.5793,-70.4082,-7.90211,CNC(=O)c1c(NC(=O)c2nc(OC)cnc2Nc2cncnc2)cnn1C,6.848827757543855
5se5_1022,-86.624,-65.093,-7.36408,CC(C)(C)CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.630136154057672
5se5_1026,-88.3532,-68.5688,-8.40066,CNC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,6.768466697329505
5se5_1037,-81.8269,-68.6722,-8.10843,COC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.541452795803408
5se5_1038,-84.1754,-67.1128,-7.4877,O=C(NCC1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.7980697582955605
5se5_1041,-87.2725,-66.7954,-7.97007,O=C(NC1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,6.01520139361346
5se5_1044,-85.9384,-71.4385,-8.8386,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCC(O)(Cc2ccccc2)CC1,5.0
5se5_1054,-87.3722,-68.8021,-8.27469,COc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)nn1,5.830172502643206
5se5_1061,-85.7603,-67.7723,-6.97406,CS(=O)(=O)CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.7872585571587365
5se5_1083,-82.1398,-74.2961,-8.19234,O=C(Nc1ccnnc1)c1nc(C2CC2)cnc1Nc1cncnc1,6.539279517845017
5se5_1084,-87.1331,-69.9925,-8.24019,CC(=O)Nc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.600776378472729
5se5_1089,-81.9315,-67.1187,-7.89952,O=C(NCc1cocn1)c1nc(C2CC2)cnc1Nc1cncnc1,5.731304578574372
5se5_1099,-86.2953,-71.5697,-8.16459,CNC(=O)c1c(NC(=O)c2nc(C)c(C)nc2Nc2cncnc2)cnn1C,5.107290582184785
5se5_1104,-81.7011,-67.4958,-8.66137,O=C(c1ccccc1)N1CCN(C(=O)c2nc(C3CC3)cnc2Nc2cncnc2)CC1,5.0
5se5_1105,-85.2428,-68.2417,-8.18752,O=C(Nc1cccnn1)c1nc(C2CC2)cnc1Nc1cncnc1,6.565458240219187
5se5_1126,-80.936,-66.7639,-7.1401,O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1nc(C2CC2)cnc1Nc1cncnc1,5.965997570900582
5se5_1143,-80.8132,-65.1823,-7.17968,O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1nc(C2CC2)cnc1Nc1cncnc1,6.103347039926498
5se5_1152,-78.1311,-66.3039,-7.95527,CNC(=O)c1c(NC(=O)c2nc(Cl)c(OC)nc2Nc2cncnc2)cnn1C,5.341426389015812
5se5_1154,-79.7395,-68.0216,-7.31536,O=C(NC1CCCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.982147285711576
5se5_202,-111.876,-82.7356,-10.11478,Cc1oc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.512013668870607
5se5_329,-103.914,-71.1791,-8.93016,CCOC(=O)CCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)c1,9.231361898752384
5se5_451,-102.717,-78.0125,-9.2709,O=C(NCCN1CCc2ccccc2C1=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.2409700923852895
5se5_481,-99.702,-73.9541,-9.17997,CNC(=O)c1cc(CCC(=O)O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.413412695328244
5se5_510,-95.9327,-73.7071,-8.8999,CNC(=O)COc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)c1,8.775801448271116
5se5_525,-101.621,-71.4322,-9.27799,CNC(=O)c1cc(OCC(C)(C)O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.677987561417599
5se5_527,-94.1392,-72.9155,-8.70532,CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.111951736270367
5se5_536,-94.9493,-74.3719,-8.52851,CNC(=O)c1cc(OCCOC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.994970079607732
5se5_544,-92.9372,-72.3627,-9.18905,O=C(Nc1ccc(F)c(F)c1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,7.808800580298482
5se5_562,-95.3511,-75.2667,-8.8676,CN(C)C(=O)c1nc(C2CC2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.6870825188836305
5se5_571,-101.532,-73.103,-9.31659,CC(=O)Nc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,7.460735664052544
5se5_572,-92.191,-72.4928,-8.39277,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCC(F)(F)F,7.71282796528085
5se5_575,-95.1997,-80.2526,-9.36572,O=C(Nc1cccnc1C(=O)N1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,7.786083990355977
5se5_585,-97.1925,-73.5654,-9.26827,O=C(Nc1cccc(F)c1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,8.776504059037604
5se5_588,-98.2384,-71.1685,-9.39948,CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.406492410668234
5se5_599,-98.6712,-73.7537,-9.34959,CNC(=O)c1cc(NC(C)=O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.417936637088292
5se5_602,-101.229,-72.0258,-8.84701,CCOc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,7.592048529167327
5se5_613,-92.936,-69.6417,-8.77546,CN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CC1,7.571557419720011
5se5_630,-90.4646,-74.6449,-8.84445,CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)sc2c1CCCC2,5.570765145293761
5se5_631,-98.3441,-75.1406,-8.17127,O=C(NCc1nccn1Cc1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1,6.563393740186334
5se5_638,-99.0771,-68.2492,-9.38161,O=C(Nc1ccc(F)cc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,8.344669441990659
5se5_667,-97.3129,-71.897,-9.23035,O=C(Nc1ccccc1C(=O)C1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,7.896059514916978
5se5_676,-91.866,-79.1648,-9.22646,O=C(Nc1cc(F)c(F)cc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,7.5507506217767375
5se5_689,-91.3799,-70.3372,-9.04976,CN(C)C(=O)c1cc(F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.107126593111234
5se5_690,-89.2333,-73.4158,-8.67519,COc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C,7.912218582190458
5se5_693,-97.4932,-70.4493,-8.66133,CN(C)C(=O)Cc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,7.012152430377012
5se5_694,-98.2606,-74.3539,-9.24198,O=C(Nc1cccc(OCC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.794011149247549
5se5_696,-92.4659,-76.1819,-8.70122,CCN(C)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.22666231594254
5se5_702,-89.4617,-73.569,-8.93827,CN(C)C(=O)c1c(F)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.037157318798755
5se5_703,-91.0704,-83.3679,-9.12187,O=C(Nc1cccc(N2CCC(O)CC2)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.9029510349888685
5se5_721,-97.2772,-63.6838,-9.00521,CC(C)Oc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,8.023879381700183
5se5_724,-93.9528,-77.0272,-9.15102,O=C(Nc1cccc(N2CCCCC2=O)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.341530688022118
5se5_732,-90.9854,-73.4831,-8.98459,O=C(Nc1cccnc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,8.256020134758158
5se5_734,-83.2291,-77.5107,-8.35376,O=C(Nc1cccc(S(=O)(=O)CCO)c1)c1nc(C2CC2)cnc1Nc1cncnc1,8.0694075115574
5se5_735,-76.3263,-72.7625,-8.37187,CN1CC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1,7.953426802337994
5se5_738,-93.0312,-67.7281,-9.09141,Cc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)N(C)C)n1,7.895240623329619
5se5_739,-92.2196,-72.5849,-8.61317,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cccnc2)cnn1C,7.947729403343251
5se5_741,-91.1218,-80.0308,-9.03051,CN1CCN(c2cccc(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)c2)CC1.O=CO,7.149108815864076
5se5_747,-90.4831,-71.073,-9.01335,CN(C)C(=O)c1cc(F)c(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.552268458364025
5se5_750,-87.7259,-78.5522,-8.49591,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CC(F)(F)F,7.570545658279997
5se5_758,-86.2514,-78.1617,-8.38169,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCO,8.493359694433497
5se5_766,-95.3883,-75.6264,-9.04905,CNC(=O)c1cc(C(C)C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.939813735100302
5se5_777,-85.5293,-79.1328,-9.15897,O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.661125350698618
5se5_787,-88.4265,-72.7069,-8.31832,CN(C)C(=O)Cn1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cn1,6.172868620020076
5se5_789,-91.2311,-70.6081,-9.15552,CN(C)C(=O)c1ccc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.71379061393399
5se5_792,-79.4137,-71.3588,-8.97825,CNC(=O)c1c(NC(=O)c2nc(N3CCN(C)CC3)cnc2Nc2cncnc2)cnn1C,6.160672819168044
5se5_799,-96.0968,-69.7779,-8.25003,O=C(NCc1ccc(F)c(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1,6.424082783541296
5se5_801,-85.5741,-77.018,-8.39419,CNC(=O)c1c(NC(=O)c2nc(C(C)(C)O)cnc2Nc2cncnc2)cnn1C,7.55327232864811
5se5_804,-91.9615,-68.8398,-8.16599,O=C(NCC1(c2ccccc2)CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,6.137586540212883
5se5_807,-88.8826,-69.4031,-9.04882,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(C)c1C,7.265216166819262
5se5_812,-88.9744,-75.2149,-8.86537,O=C(Nc1cccc(N2CCOCC2)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.903333260024618
5se5_823,-94.8275,-70.6136,-8.19388,O=C(NC1CCN(Cc2ccccc2)CC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.29690852934396
5se5_824,-86.1347,-72.3524,-8.33488,CCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C,7.651266896201713
5se5_828,-66.0252,-83.2135,-8.91036,CN(C)CCn1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.535495549098965
5se5_830,-87.2348,-73.2702,-9.0527,O=C(Nc1cccc(C(=O)N2CCCC2)n1)c1nc(C2CC2)cnc1Nc1cncnc1,7.986572872929304
5se5_845,-81.5407,-71.9436,-7.93716,CNC(=O)c1c(NC(=O)c2nc(OCC(F)(F)F)cnc2Nc2cncnc2)cnn1C,7.307109036862694
5se5_855,-85.9814,-69.4686,-8.4868,O=C(Nc1cncc(OC(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1,6.87235752800614
5se5_857,-89.5205,-71.1306,-7.98385,CN(C)CCn1nccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.502503649414585
5se5_858,-87.5995,-72.6559,-8.7821,CNC(=O)c1c(NC(=O)c2nc([C@@H]3CCOC3)cnc2Nc2cncnc2)cnn1C,8.155771418698372
5se5_867,-80.541,-71.1286,-8.04262,CCN(C)c1cnc(Nc2cncnc2)c(C(=O)Nc2cnn(C)c2C(=O)NC)n1,7.717627162575619
5se5_869,-89.9323,-72.0968,-8.87076,CC(=O)c1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc1F,8.015968019728819
5se5_870,-92.547,-78.0766,-8.86725,CNC(=O)c1c(Cl)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.6570840829159135
5se5_875,-86.7858,-71.4756,-8.67335,CCC(=O)c1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc1O,7.5820967180087715
5se5_880,-82.2413,-72.5482,-8.52599,O=C(NCC1CC1)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,8.015607721475734
5se5_881,-91.0398,-75.2815,-9.0939,O=C1CCc2ccc(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cc21,7.568781024801149
5se5_882,-82.4605,-73.1259,-8.37875,CN(C)C(=O)Cn1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.501910096275809
5se5_884,-86.3875,-75.6476,-8.10968,CNC(=O)c1c(NC(=O)c2nc(C(C)=O)cnc2Nc2cncnc2)cnn1C,6.7911208074048774
5se5_885,-90.3123,-70.7021,-8.38188,CON(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,8.655804284128566
5se5_888,-89.6209,-75.532,-8.80792,CNC(=O)c1c(C)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.743089918110643
5se5_889,-89.2526,-70.9459,-9.00084,O=C(Nc1cccnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,8.603277721496227
5se5_890,-88.7816,-75.2151,-8.31273,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cnccn2)cnn1C,6.371012666950675
5se5_892,-79.8962,-76.3436,-8.77256,CNC(=O)c1c(NC(=O)c2nc(N3CCOCC3)cnc2Nc2cncnc2)cnn1C,8.38563016045171
5se5_894,-92.6791,-77.2242,-8.48087,CC(C)(O)CNC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,8.260902553882525
5se5_895,-85.4335,-72.7769,-8.61862,CNC(=O)c1c(NC(=O)c2nc([C@H]3CCOC3)cnc2Nc2cncnc2)cnn1C,7.921833291831846
5se5_899,-91.5036,-67.6176,-8.81105,CN(C)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.045419837256242
5se5_901,-97.2979,-70.8756,-7.98212,O=C(NCCC1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.850681411420573
5se5_904,-84.5996,-74.0392,-8.75551,CNC(=O)c1c(NC(=O)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C,7.619445077845786
5se5_905,-87.5405,-71.8205,-8.69297,CNC(=O)c1c(F)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.164186914423338
5se5_910,-94.4187,-75.5833,-8.46975,CC(C)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.310602337178716
5se5_912,-87.8207,-73.5512,-8.87475,CNC(=O)c1cc(F)c(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.130459592366813
5se5_913,-89.3347,-72.7595,-8.689,CNC(=O)c1ccc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.17068383612989
5se5_917,-89.6686,-74.6768,-8.41126,CC(C)Oc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.627824713884935
5se5_918,-85.4251,-71.2762,-8.52639,CNC(=O)c1c(NC(=O)c2nc(N3CCC3)cnc2Nc2cncnc2)cnn1C,6.844959419088897
5se5_920,-83.1213,-75.5511,-8.99644,O=C(Nc1cccc(C(=O)N2CCOCC2)n1)c1nc(C2CC2)cnc1Nc1cncnc1,8.125750177221597
5se5_922,-88.4883,-72.2903,-8.91342,CNC(=O)c1cc(F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.022733787572708
5se5_924,-90.6442,-64.4461,-8.03431,O=C(NCC1(c2ccccc2)CCOCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.935810907309137
5se5_925,-89.2639,-74.3192,-8.49237,CCNC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.635642485156898
5se5_928,-80.0778,-75.778,-8.57274,CC(C)NC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,8.065703593180594
5se5_931,-91.823,-72.4402,-8.89457,CNC(=O)c1nc(C)ncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.7148028771890305
5se5_932,-93.2987,-73.9745,-9.01877,O=C1CCc2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cccc21,6.906294715091841
5se5_933,-90.9923,-70.4883,-8.70489,CNC(=O)c1cc(OC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.32057210338788
5se5_949,-91.076,-74.3072,-9.45905,O=C(Nc1ccc(O)c2c1CCCC2=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.982048931169258
5se5_957,-86.6815,-71.8499,-8.44639,CC(=O)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,7.718103449753939
5se5_971,-85.1533,-70.4282,-7.51824,CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.944387763119485
5se5_976,-89.9755,-62.224,-7.4146,CC(C)(C)CC(C)(C)NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.082665195946944
5se5_988,-89.623,-73.0137,-8.21355,O=C(NCC1CCOCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.237726141211642
5se5_999,-88.9643,-69.5144,-8.53008,CNC(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.28366271211045
5se6_108,-98.1194,-82.9126,-10.19766,Cn1cc(-c2ccccc2)nc1COc1cc(N2CCOCC2)nc(-c2ccn[nH]2)n1,6.430330028238552
5se6_210,-108.823,-73.841,-10.43708,Cc1nn2ccc(OCc3nc(-c4ccccc4)cn3C)nc2c1C,8.46916022138348
5se6_312,-108.235,-75.6907,-10.09619,Cn1cc(-c2ccccc2)nc1COc1cc(N2CCOCC2)nc(-c2cccnc2)n1,6.568747236392618
5se7_1062,-74.6785,-70.9975,-6.81826,CN(C(=O)c1c(C(=O)N2CCC2)cnn1C)c1ccn2nc(-c3ccccc3)nc2c1,5.837429321043515
5se7_11,-107.079,-83.7584,-9.48005,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3OCCCF)nc2c1,9.52432881167557
5se7_111,-105.722,-82.3038,-10.19676,COC1CN(C(=O)c2cnn(C)c2C(=O)Nc2ccn3nc(-c4cccc(F)c4)nc3c2)C1,8.328271911760442
5se7_115,-109.038,-77.4629,-10.15803,Cn1c(Cl)nc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,9.343256213067622
5se7_120,-106.136,-81.59,-9.93719,COc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1,9.219085313918677
5se7_131,-97.9673,-78.5244,-9.93397,CC(=O)O.O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1c(C(=O)N2CCC2)cnn1CCF,5.873029399915776
5se7_139,-103.348,-81.8226,-10.00473,COC1CN(C(=O)c2cnn(C)c2C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)C1,7.610421506715773
5se7_14,-108.506,-80.673,-9.47049,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3OCCF)nc2c1,9.462180904926724
5se7_140,-107.561,-79.5896,-10.52617,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(F)c3)nc2c1,8.973574185630191
5se7_160,-103.356,-74.2303,-10.05548,COc1cccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)n1,8.961379838050297
5se7_165,-103.493,-75.285,-10.25645,Cn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,9.44471187820255
5se7_172,-97.2836,-81.9257,-10.37708,Cn1ncc(-c2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,6.87950174791096
5se7_175,-99.5834,-76.2437,-9.43311,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccc(F)c3)nc2c1,7.336808090839107
5se7_176,-104.518,-75.5465,-10.29099,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(F)n3)nc2c1,8.920456992597094
5se7_183,-106.036,-73.079,-9.69801,Cn1cnc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.671151693088803
5se7_185,-101.327,-73.8854,-10.0614,COc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1,8.3253225321268
5se7_186,-103.784,-75.6813,-10.20525,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1,8.332080314682639
5se7_196,-102.295,-76.9992,-10.09469,Cc1cn2nc(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C,9.730487055782083
5se7_204,-102.852,-78.9437,-10.23024,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F,9.109617591644291
5se7_205,-100.271,-75.2382,-9.22745,CC(C)OC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,8.102262974654574
5se7_217,-104.072,-75.4791,-10.16093,Cn1ncc2c1C(=O)N(c1ccn3nc(-c4cccc(F)c4)nc3c1)C2=O,7.294153386260618
5se7_218,-101.194,-77.0807,-10.24119,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccnc(Cl)c3)nc2c1,8.161025045044532
5se7_219,-101.82,-70.3174,-9.95042,Cc1cncc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)c1,7.950820755354034
5se7_220,-103.305,-80.7354,-8.66167,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3OC)nc2c1,7.925549281045408
5se7_234,-101.995,-75.7406,-10.18997,Cc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1,8.71791712967587
5se7_239,-100.948,-76.8292,-8.78002,COCc1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.840432806766381
5se7_250,-102.015,-81.3577,-9.74972,Cn1nnc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,6.738691919340926
5se7_255,-102.97,-75.5439,-8.87504,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,8.134659094375415
5se7_258,-97.9684,-78.6735,-9.08033,CCN(CC)C(=O)c1c(C)noc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,5.506293015563928
5se7_264,-104.817,-74.875,-8.96056,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1,6.736397066859836
5se7_265,-102.96,-75.9241,-10.4802,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccnc(F)c3)nc2c1,8.168642214557932
5se7_268,-95.1517,-78.3389,-8.64366,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1,7.464655236323343
5se7_280,-98.1679,-75.0968,-8.92441,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccnc(F)c3)nc2c1,6.102140430986529
5se7_281,-100.624,-70.4803,-9.88774,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1,8.936595378885096
5se7_287,-100.673,-93.2984,-9.03178,Cn1ncc(CO)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.283490089699445
5se7_316,-98.316,-72.7169,-10.06573,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1,7.360971953213058
5se7_321,-100.427,-77.4834,-10.07534,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccncc3)nc2c1,8.738975166007602
5se7_337,-99.6822,-71.8221,-10.03008,Cn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1,8.935375696057616
5se7_341,-68.8716,-90.0717,-9.06769,Cc1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)ccn2nc(-c3ccccc3)nc12,7.788212237099108
5se7_356,-101.725,-77.8185,-9.097,COc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1,8.011307297450182
5se7_371,-101.453,-73.7577,-9.17385,Cn1ncc(Br)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.453013398685821
5se7_378,-103.741,-72.022,-9.01928,COC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.8349635200054335
5se7_380,-102.57,-73.9636,-9.69934,Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3cccc(F)c3)nc2c1,7.611408683799467
5se7_381,-95.5461,-69.7478,-9.59147,O=C(O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,6.192716692136363
5se7_390,-97.0949,-72.6382,-8.67255,COCc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n(C)n1,7.062116171003959
5se7_394,-97.9411,-73.9732,-9.52855,Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3ccnc(F)c3)nc2c1,6.243684977619001
5se7_401,-99.6945,-74.0621,-9.2205,Cn1ncc(C(N)=O)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.81025709975843
5se7_405,-99.7341,-72.9813,-9.28968,Cl.Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.[Li+],7.603573971981897
5se7_420,-102.267,-71.6104,-10.28015,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccccc12,6.711661330604837
5se7_428,-93.8578,-65.2727,-8.39519,CC(C)OC(=O)c1c(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cnn1C,7.82730951824415
5se7_433,-101.923,-69.8161,-9.21163,Cn1ncc(Cl)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,6.681859417600723
5se7_437,-99.8927,-75.6705,-9.15593,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1conc1C(=O)NC1CC1,6.823593268228679
5se7_458,-99.9999,-73.728,-9.18107,Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1,7.178198347625735
5se7_514,-97.6101,-78.0272,-9.32513,COc1ncc(C2CC2)nc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.769755500598624
5se7_578,-89.6614,-71.4465,-9.05974,CC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1,7.324936908790331
5se7_592,-101.958,-75.8201,-10.3494,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccc(Br)cc12,7.990379159185675
5se7_606,-91.79,-67.2031,-8.65978,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1ccno1,5.62959832020707
5se7_647,-89.7555,-74.6902,-9.23485,CC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)ccn2n1,7.377154170399669
5se7_659,-95.7028,-65.434,-9.46745,COC(=O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,5.565927305311629
5se7_66,-107.349,-75.0366,-9.43297,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)n3)nc2c1,8.270754192774692
5se7_71,-106.1,-79.0758,-9.82025,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3OCF)nc2c1,8.760700520873106
5se7_75,-111.868,-83.3692,-10.40631,Cc1nc(C(=O)N2CCC2)c(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n1C,7.6994914706567075
5se7_76,-103.414,-76.6925,-9.6933,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCCF)c3)nc2c1,9.047922292565245
5se7_761,-85.5226,-74.5232,-8.02166,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(C(C)C)nc2c1,5.837723027839271
5se7_778,-97.1028,-67.7277,-9.38838,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1ccc(Cl)cn1,5.0
5se7_820,-83.0619,-70.5511,-8.37309,COc1ccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)cc1,8.102314727585236
5se7_825,-75.384,-72.0308,-6.40698,CCOC(=O)c1cnn(C)c1C(=O)N(C)c1ccn2nc(-c3ccccc3)nc2c1,5.0
5se7_848,-84.0036,-68.9762,-8.20522,CC(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1,5.908576104325548
5se7_85,-106.401,-81.6874,-10.06708,COc1cccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)c1,9.512861624522811
5se7_96,-107.244,-71.7811,-9.74245,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(OCF)c3)nc2c1,9.068376648410917
5se8_21,-118.102,-77.4835,-10.57732,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1-c1cccnc1,9.296823601351303
5se8_267,-106.675,-70.6883,-10.20589,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)n[nH]1,8.423773862550394
5se8_29,-111.875,-83.5296,-9.95437,COCCn1nc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C,6.545798422895944
5se8_30,-118.418,-76.2911,-10.43913,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1Cc1ccccc1,8.431211787684653
5se8_32,-115.367,-72.1279,-10.13042,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1CC1CC1,8.247106845115406
5se8_49,-114.088,-76.1902,-10.21737,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1CC(F)(F)F,7.366272493072591
5se8_78,-114.644,-77.1036,-10.35046,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1C1CC1,8.467245621007502
5se9_121,-111.174,-81.9099,-10.35812,Cc1c(CO)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12,6.440307584014981
5se9_128,-104.263,-79.621,-10.37127,Cc1c(C(N)=O)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12,6.941122452969493
5se9_168,-113.052,-76.3427,-10.01207,Cn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)c(CO)n2n1,6.777632144546737
5se9_214,-111.333,-78.1655,-10.45296,Cc1nc2c(C)c(C)c(OCc3nc(-c4ccccc4)cn3C)nn2c1C,8.76929568638743
5se9_263,-104.11,-74.9069,-9.65566,Cn1cc(-c2ccccc2)nc1COc1ccc2nc(C3CC3)cn2n1,6.772203247345381
5se9_282,-106.705,-72.0144,-10.30022,Cn1cc(-c2ccccc2)nc1COc1ccc2nc3c(n2n1)CCC3,7.327929863873407
5se9_288,-107.465,-70.1417,-10.22472,CCc1nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn2c1C,6.577886405303168
5se9_305,-110.581,-69.4424,-10.77416,Cc1c(C(F)(F)F)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12,7.467779453327325
5se9_314,-105.277,-79.16,-10.56935,COc1cc(OCc2nc(-c3ccccc3)cn2C)nn2c(C)c(C(F)(F)F)nc12,7.926574943254018
5se9_344,-108.289,-74.8485,-9.83117,Cc1c(C#N)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12,7.624537579552828
5se9_445,-104.703,-69.5209,-9.78637,Cc1cn2nc(OCc3nc(-c4ccccc4)cn3C)ccc2n1,6.876181013981003
5se9_455,-102.159,-73.4204,-8.89473,CCc1nc2ccc(OCc3cccc(N4CCCC4)n3)nn2c1C,6.261638880823079
5se9_462,-107.587,-69.031,-10.25879,Cc1nc2ccc(OCc3nc(-c4ccccc4)nn3C)nn2c1C,7.287055818643065
5se9_517,-106.358,-71.1262,-10.31427,Cn1cc(-c2ccccc2)nc1COc1ccc2nc(C(F)(F)F)cn2n1,6.484347332045092
5se9_559,-104.01,-73.5765,-9.2774,Cc1nc2ccc(OCc3cccc(N4CCCC4)n3)nn2c1C,6.79190008591064
5se9_573,-94.7277,-75.9211,-9.70176,Cc1nc2ccc(OCc3nc(N4CCCC4)nn3C)nn2c1C,7.009070941465632
5se9_762,-99.7236,-68.5729,-9.03518,Cc1cn2nc(OCc3cccc(N4CCCC4)n3)ccc2n1,6.585459491770991
5sea_507,-82.2021,-76.7375,-9.66543,O=C(Nc1ccnn1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1,9.062482107982653
5sea_516,-80.017,-79.2733,-9.84223,O=C(Nc1cn(-c2ccccn2)cn1)c1nc(C2CC2)ccc1Nc1cncnc1,7.481144023436166
5sea_653,-87.8562,-77.6707,-9.49539,O=C(Nc1cc(C2CCCC2)n[nH]1)c1nc(C2CC2)ccc1Nc1cncnc1,6.425428227362064
5sea_748,-89.081,-67.7603,-9.54408,CN(C)C(=O)c1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)[nH]n1,5.938349268516047
5sec_17,-115.451,-80.0953,-11.17868,Cc1nc2ccccc2nc1CCc1nc(-c2ccccc2)cn1-c1ccccn1,8.740645072691965
5sec_326,-87.323,-75.5683,-9.38148,CN(C)c1nc(CCc2nccn2-c2ccccc2)nc2ccccc12,6.231358939345216
5sed_100,-113.804,-75.7986,-10.98733,Cn1cc(-c2ccccc2)nc1COc1nc(OC2CCOCC2)c2cc(Cl)ccc2n1,7.806179973983888
5sed_162,-114.104,-77.4496,-10.75416,Clc1ccc2nc(CCc3cccc(N4CCCC4)n3)nc(N3CCOCC3)c2c1,8.475993554442628
5sed_19,-113.766,-77.9901,-10.10079,CN(CCO)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12,8.509479690636649
5sed_198,-114.913,-74.197,-10.39674,COc1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12,7.832260394155602
5sed_235,-102.054,-80.6243,-11.26375,Clc1ccc2nc(/C=C/c3cccc(N4CCCC4)n3)nc(N3CCOCC3)c2c1,8.199970640755865
5sed_240,-112.509,-71.7927,-11.16485,Cn1cc(-c2ccccc2)nc1COc1nc(N2CCOCC2)c2ccccc2n1,7.974899038953185
5sed_262,-108.839,-79.1773,-10.32456,Clc1ccc2nc(OCc3cccc(N4CCCC4)n3)nc(N3CCOCC3)c2c1,8.600499338685388
5sed_352,-103.69,-74.1714,-9.54177,CN(C)c1nc(OCc2cccc(N3CCCC3)n2)nc2ccc(Cl)cc12,8.112972659229174
5sed_366,-95.409,-70.6563,-10.25348,Cn1cc(-c2ccccc2)nc1COc1nc2ccccc2c(=O)[nH]1,7.048259464208786
5sed_370,-108.144,-74.6744,-10.44279,c1cc(CCc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1,7.3370062028239476
5sed_396,-104.843,-70.8375,-9.60504,Cc1nn(C)c2nc(OCc3nc(-c4ccccc4)cn3C)ncc12,6.96814736860437
5sed_411,-110.115,-72.0196,-10.06157,COc1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccccc12,7.213156335555238
5sed_470,-95.6174,-71.4091,-9.5614,CN(C)c1nc(OCc2nc3ccccc3n2C)nc2ccc(Cl)cc12,6.9212206622593975
5sed_484,-105.326,-73.0259,-9.94357,c1cc(COc2nc(N3CCOCC3)c3ccccc3n2)nc(N2CCCC2)c1,7.236639402189232
5sed_54,-123.407,-77.3968,-11.63187,Cn1cc(-c2ccccc2)nc1CCc1nc(N2CCOCC2)c2cc(Cl)ccc2n1,8.965371543374678
5sed_574,-87.3712,-72.9885,-9.8739,CN(C)c1nc(/C=C/c2cccc(Br)n2)nc2ccc(Cl)cc12,6.550293328369861
5sed_586,-92.5226,-71.7344,-9.34751,CN(C)c1nc(OCc2cc3ccccn3n2)nc2ccc(Cl)cc12,6.372820602286225
5sed_612,-80.6669,-71.9088,-9.16559,CN(C)c1nc(/C=C/c2nc(Br)cs2)nc2ccc(Cl)cc12,5.83223560166235
5sed_64,-111.952,-78.3207,-11.91982,Cn1cc(-c2ccccc2)nc1/C=C/c1nc(N2CCOCC2)c2cc(Cl)ccc2n1,8.881404634776237
5sed_89,-113.336,-73.8557,-10.69863,CN(C)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12,8.434624497285926
5see_354,-100.985,-80.0572,-8.25693,O=C(Nc1cc2nc(-c3ccccc3)cn2cc1Br)c1nc(C2CC2)ccc1Nc1cncnc1,8.938170692705299
5see_386,-95.9937,-82.0108,-9.395,COCc1ccc(Nc2cncnc2)c(C(=O)Nc2ccnn2-c2ccccn2)n1,8.834162375309871
5see_435,-95.3355,-82.0101,-9.94295,O=C(Nc1ccnn1-c1ccccn1)c1nc(C2CC2)ccc1Nc1cncnc1,8.464579281943825
5sef_1019,-94.8463,-66.6614,-9.17179,Cc1nnc2ccc(CCc3nc(N4CCCC4)nn3C)nn12,6.272717444812121
5sef_1128,-74.9459,-72.6866,-8.76557,Cc1cnc(C)n2nc(/C=C/c3nc(Br)nn3C)nc12,5.68629472154913
5sef_1142,-70.2736,-72.6596,-8.36471,Cc1cnc(C)n2nc(/C=C/c3ncnn3C)nc12,5.407401371093869
5sef_432,-110.956,-76.8293,-10.57209,Cc1nc(C(F)(F)F)n2nc(CCc3nc(N4CCCC4)nn3C)nc2c1C,8.122569226324156
5seh_1068,-73.8154,-71.6904,-7.93959,Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cc(NC(=O)OC(C)(C)C)n1,6.682642967596712
5seh_1117,-66.8097,-68.6958,-7.0179,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1,5.702076522307537
5seh_1136,-58.2971,-62.6668,-6.46057,CN(C)C(=O)c1cnn(Cc2ccccc2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,6.061099183555453
5seh_1151,-64.657,-57.2943,-7.24398,Cn1ncc(C(=O)O)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1,5.872088617109553
5seh_193,-94.8392,-84.0642,-10.91834,Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CO3)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,6.891384243893776
5seh_203,-93.081,-75.9636,-9.7219,CCN(CC)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,7.648880390262328
5seh_207,-92.3182,-80.4704,-10.01922,CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CC1,8.958613013532721
5seh_276,-91.937,-86.8855,-9.52152,CN(CCO)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,7.68947661604848
5seh_279,-91.3071,-73.4949,-9.93272,CN(CC(F)(F)F)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,7.094360601732776
5seh_283,-92.7839,-73.7912,-10.24888,CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1)C1CCCC1,7.24083849785052
5seh_315,-93.5598,-82.1787,-9.88777,CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,8.246775699816704
5seh_333,-93.6749,-79.4666,-9.40883,CN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)ccn2n1,8.247260306064671
5seh_335,-91.1964,-74.4367,-9.53348,COC(=O)CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,7.297345480518754
5seh_340,-89.8462,-74.8789,-9.87652,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,8.146423456380358
5seh_343,-94.0901,-77.9992,-10.20604,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1,8.500587874327724
5seh_347,-90.6066,-77.7012,-9.43347,CN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1,8.640354207325457
5seh_348,-95.2237,-78.7092,-10.25365,COC1CN(C(=O)c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCOCC4)nc3c2)C1,6.889181419593237
5seh_353,-84.6102,-82.1506,-8.99817,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1,7.672416312518819
5seh_355,-94.0082,-75.8996,-9.22955,CN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1,8.247951552180561
5seh_368,-92.1474,-75.5634,-9.11874,CCN(CC)c1nc2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cn2n1,8.483596851552596
5seh_372,-93.8556,-75.3998,-10.40593,Cn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,8.302253448500602
5seh_373,-94.7474,-94.4777,-8.8771,Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,7.718353142132485
5seh_402,-91.5724,-76.7377,-10.43305,Cn1ncc(C(=O)N2CCCC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,8.488498792673434
5seh_412,-99.4243,-75.2764,-10.24299,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1,7.789291078442198
5seh_417,-89.3752,-79.629,-9.29086,CN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1,8.206628751081043
5seh_418,-90.5621,-79.2369,-9.77947,CN(c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1)C1CC1,8.58145693944792
5seh_425,-86.6719,-74.9512,-10.50115,Cn1ncc(C(=O)N2CC3(COC3)C2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1,7.242232094984144
5seh_441,-78.4538,-85.6232,-10.6959,Cn1ncc(C(=O)N2CC3(COC3)C2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1,8.207048291749867
5seh_444,-91.719,-79.0276,-9.30489,CCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1,8.153230046462781
5seh_450,-93.253,-76.9306,-9.60753,CN(c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1)C1CC1,9.059107452039315
5seh_469,-99.7131,-77.9576,-10.15114,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(N3CCCC3)nn2c1,9.317211218879159
5seh_486,-81.2058,-75.4262,-8.51804,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)C3CC3)nc2c1,7.233415724576705
5seh_489,-88.2579,-81.3445,-9.54106,CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1,8.277973180522453
5seh_493,-81.9951,-73.9363,-9.31428,CCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1,8.255519717061043
5seh_496,-89.3056,-80.881,-10.13209,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-n3ccnc3)nc2c1,6.982728699122538
5seh_502,-85.9121,-82.3307,-8.22592,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)CC)nc2c1,6.444115105199794
5seh_513,-89.9369,-71.2984,-9.51425,CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)ccn2n1,7.7078325692157055
5seh_520,-90.3713,-73.0332,-9.31827,CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1,8.55792399705223
5seh_549,-85.3113,-74.7912,-8.17043,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)C)nc2c1,6.502695692546056
5seh_568,-85.6848,-82.1197,-9.43195,CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1,7.410936275679082
5seh_623,-92.89,-73.2112,-9.48781,CN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)cn2n1,7.602424951997711
5seh_649,-87.2261,-73.7112,-8.742,CN(c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1)C1CC1,7.378298781323741
5seh_652,-94.1754,-73.282,-9.20711,CN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cn2n1,8.057515708378912
5seh_704,-84.5883,-71.454,-9.05125,CNc1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1,8.113452876608894
5seh_717,-84.3411,-76.1419,-8.35394,CCN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1,6.545832252651266
5seh_745,-84.7817,-72.2754,-8.98542,COc1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1,5.183772624176651
5seh_768,-83.8434,-70.0835,-8.38789,CN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1,6.010189458387086
5seh_846,-83.1218,-72.1113,-9.16658,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(Br)nc2c1,7.1710759987145405
5seh_936,-77.21,-71.9508,-7.94198,CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(Br)nc2c1,5.456158964856984
5sei_154,-101.682,-77.1036,-10.78108,Cc1c(Cl)cc(C(F)(F)F)c2nc(/C=C/c3nc(N4CCCC4)nn3C)nn12,8.56177419239547
5sei_274,-92.946,-76.8893,-10.5741,Cc1cnc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C3CC3)nc12,7.732828271596986
5sei_293,-101.396,-74.8372,-11.04049,Cc1nc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc2c1C,8.038009712559935
5sei_300,-95.5792,-77.6699,-10.6641,Cc1cc(Cl)c(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12,9.48017200622428
5sei_308,-96.4048,-79.8547,-10.70377,Cc1cc(Cl)c(C)n2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nc12,9.835647144215562
5sei_309,-96.8618,-74.9121,-11.02591,Cc1c(Cl)nn2c(C)c(/C=C/c3nc(N4CCCC4)nn3C)nc2c1C,7.317520979371418
5sei_350,-96.0372,-75.8628,-10.02148,Cc1cc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C3CC3)nc2n1,7.684029654543082
5sei_364,-91.9727,-74.471,-10.42154,Cc1c(Br)cn2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nc2c1C,7.136005395596158
5sei_375,-92.9603,-70.2224,-10.531,Cc1ccc2nc(/C=C/c3nc(N4CCCC4)nn3C)nn2c1C,8.059184791349198
5sei_382,-100.908,-74.3165,-10.80471,Cc1nc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc2c1Cl,7.614626127183768
5sei_393,-93.7994,-71.8037,-10.35634,Cc1c(Cl)ccc2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nn12,8.339513984215031
5sei_406,-90.3146,-76.603,-10.20381,Cc1c(Br)cn2nc(/C=C/c3nc(N4CCCC4)nn3C)nc2c1C,7.92848619490491
5sei_429,-46.0723,-94.4643,-9.17954,Cn1nc(N2CCCC2)nc1/C=C/c1nc(N2CCCC2)n(C)n1,6.367288684416374
5sei_443,-89.9607,-77.5455,-10.46892,Cc1cnc(C)n2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nc12,7.691222226335278
5sei_474,-88.7627,-75.2157,-10.21143,Cc1cnc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12,8.269783159431306
5sei_550,-92.553,-70.7619,-8.99922,Cn1nc(N2CCCC2)nc1/C=C/c1nc(N2CCCC2)nn1C,6.725535019117981
5sei_764,-82.4667,-74.5702,-9.39889,Cc1c(Cl)cc(C(F)(F)F)c2nc(/C=C/c3nc(Br)nn3C)nn12,6.938777546779164
5sej_119,-100.058,-80.5357,-9.72899,Cc1c(Cl)cc(OCC(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,9.304197274556907
5sej_127,-108.156,-74.2359,-10.52945,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CC3)nn12,9.145086977692143
5sej_135,-106.787,-78.8863,-10.5158,Cc1c(Br)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,9.363694015112765
5sej_146,-97.1615,-82.1055,-9.30664,COCCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,9.76457621812848
5sej_157,-108.132,-77.4385,-10.52302,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.960284119287028
5sej_158,-106.383,-75.886,-10.51221,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)n(C)n3)nn12,9.35261702988538
5sej_171,-106.542,-75.0776,-10.01523,CCc1cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn2c1C,8.472899304808102
5sej_187,-107.417,-79.5266,-10.39181,Cc1c(Cl)cc(C(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.776968320187445
5sej_188,-106.692,-79.2202,-10.70547,Cc1cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn2c1C,8.837435593476979
5sej_206,-98.7744,-77.8229,-9.85876,Cc1c(Cl)cc(OC(F)F)c2nc(CCc3nc(N4CCCC4)n(C)n3)nn12,9.270848774394986
5sej_208,-101.754,-76.8673,-10.73008,Cc1c(Cl)cc(OC2CCOCC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,9.440093374963888
5sej_223,-106.455,-75.3753,-10.06845,Cc1c(Cl)cc(OC(C)C)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,9.163151663264461
5sej_227,-99.509,-76.4971,-9.86387,Cc1c(Cl)cc(OC(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,9.636388020107855
5sej_228,-107.465,-78.5583,-10.25839,Cc1c(C#N)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.164689999130937
5sej_229,-106.05,-81.6009,-10.57892,Cc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.00056495012367
5sej_23,-111.883,-82.7375,-10.6034,Cc1c(Cl)cc(OCC(=O)N2CCOCC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.683400697906139
5sej_247,-104.768,-84.4299,-10.62868,Cc1c(Cl)cc(C(C)(C)O)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,7.11725353337469
5sej_266,-103.581,-74.4634,-9.71776,CCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,9.221848749616356
5sej_272,-100.926,-71.8974,-10.11988,Cc1c(Br)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.911863911299449
5sej_273,-102.387,-80.5652,-10.32903,CNC(=O)c1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,5.2102853540230685
5sej_277,-101.872,-75.6427,-10.44644,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)n[nH]3)nn12,9.140861702705468
5sej_285,-101.772,-68.3474,-9.42562,Cc1c(C#N)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.665916994453642
5sej_313,-100.633,-75.1178,-9.65548,COc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,9.35848514510307
5sej_318,-100.979,-75.9553,-9.88154,Cc1c(Cl)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.653647025549361
5sej_322,-97.4724,-76.9245,-10.2128,Cc1c(Cl)cc(S(C)(=O)=O)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,7.060845308364329
5sej_325,-105.771,-75.3245,-9.88623,COC(=O)c1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,6.363621443272009
5sej_338,-100.422,-77.264,-10.12751,Cc1c(Cl)cc(Br)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.993962045002682
5sej_34,-111.95,-81.2675,-11.43125,Cc1cc(-n2nc(N3CCCC3)nc2CCc2nc3c(C(F)(F)F)cc(Cl)c(C)n3n2)ccn1,8.970632270856159
5sej_345,-106.462,-66.5772,-10.02159,Cc1c(Cl)cc(O)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.374481771028362
5sej_357,-100.46,-73.5163,-10.16377,Cc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,9.261212080597096
5sej_359,-99.8297,-73.3869,-10.40351,Cc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,9.554395796726402
5sej_37,-114.392,-82.3781,-10.14725,COc1ccc(Cn2nc(CCc3nc4c(Cl)cc(Cl)c(C)n4n3)nc2N2CCCC2)cc1,8.587623666676526
5sej_374,-100.968,-74.6473,-10.38264,Cc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)n(C)n3)nc12,9.326058001365912
5sej_40,-106.99,-86.69,-11.00929,Cc1cc(-n2nc(CCc3nc4c(C(F)(F)F)cc(Cl)c(C)n4n3)nc2N2CCCC2)ccn1,8.007490664932224
5sej_434,-103.129,-77.1773,-11.02322,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCC(F)(F)C4)nn3C)nn12,8.00952794647438
5sej_47,-114.218,-80.4342,-11.25975,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CCOCC3)nn12,9.460952924796793
5sej_479,-98.9616,-67.0358,-9.98063,Cc1ccn2nc(CCc3nc(N4CCCC4)n(C)n3)nc2c1C,8.140801638466122
5sej_497,-97.0207,-69.13,-9.65842,Cc1c(Cl)cc(Cl)c2nc(CCc3nc4ccccc4n3C)nn12,7.213852183902824
5sej_50,-107.803,-82.405,-9.94379,Cc1c(Cl)cc(OCCN2CCOCC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.864231485432178
5sej_512,-96.7705,-70.4849,-10.00803,Cc1c(Cl)ccc2nc(CCc3nc4ccc(Cl)c(C)n4n3)nn12,6.325769181180373
5sej_521,-98.1181,-73.9749,-9.48587,Cc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)no3)nn12,7.776011117429907
5sej_522,-96.305,-74.6937,-9.97235,Cc1c(Cl)cc(Cl)c2nc(CCc3n[nH]c(N4CCCC4)n3)nn12,9.665546248849068
5sej_582,-90.4009,-71.3886,-9.45299,Cc1c(Cl)cc(Cl)c2nc(CCc3nncn3-c3ccccc3)nn12,7.143996546002779
5sej_615,-94.4473,-73.0205,-9.26536,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(I)nn3C)nn12,6.90960437759402
5sej_663,-91.1206,-71.7196,-9.60814,Cc1c(Cl)cc(Cl)c2nc(CCc3cn4ccccc4n3)nn12,8.02662640974571
5sej_760,-93.7509,-70.0782,-8.84445,Cc1c(Cl)cc(Cl)c2nc(CCc3cn4c(n3)SCC4)nn12,7.575265329975104
5sej_780,-88.2361,-66.526,-9.29221,Clc1ccc2nc(CCc3nc4ccc(Cl)cn4n3)nn2c1,7.111461083741268
5sej_785,-89.7882,-69.8748,-9.26765,Cc1c(Cl)cc(Cl)c2nc(CCc3cn4cccnc4n3)nn12,6.442611914577012
5sej_791,-86.8901,-70.5685,-9.26873,Cc1c(Cl)cc(Cl)c2nc(CCc3nc4ncccn4n3)nn12,6.037725395376685
5sej_83,-110.164,-80.2856,-10.45177,Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)n(C4CC4)n3)nn12,8.80271944187438
5sej_861,-89.6115,-70.2209,-8.42963,Cc1c(Cl)cc(Cl)c2nc(CCc3nn(C)cc3Cl)nn12,6.476269136863302
5sej_97,-107.918,-79.7926,-10.15188,COc1ccc(Cn2nc(N3CCCC3)nc2CCc2nc3c(Cl)cc(Cl)c(C)n3n2)cc1,9.197503792980122
5sej_972,-84.3013,-69.1962,-8.23074,Cc1c(Cl)cc(Cl)c2nc(CCc3nccn3C)nn12,6.777731056666124
5sej_980,-87.2467,-67.7556,-8.35871,Cc1c(Cl)cc(Cl)c2nc(CCc3ccn(C)n3)nn12,6.509879920012179
5sej_996,-82.7458,-69.2111,-8.0697,Cc1c(Cl)cc(Cl)c2nc(CCc3nccs3)nn12,6.291509414365313
5sek_215,-112.127,-69.2641,-10.108,Cn1cc(-c2ccccc2)nc1CCc1cnc2ccccc2n1,7.678795243145551
5sek_254,-108.929,-70.374,-10.30451,Cc1nc2ccccc2nc1CCc1ncc(-c2ccccc2)[nH]1,8.033876835174915
5sek_413,-108.019,-71.3821,-9.82675,Cc1nc2ccccc2nc1CCc1cccc(N2CCCC2)n1,6.909346992821018
5sek_62,-119.272,-75.7269,-10.43697,Cc1nc2ccccc2nc1CCc1nc(-c2ccccc2)cn1CC1CC1,8.03179733185715
5sek_72,-118.023,-72.9763,-10.33488,Cc1nc2ccccc2nc1CCc1nc(-c2ccccc2)cn1CC(F)(F)F,6.748819428790901
5sek_87,-115.645,-70.6732,-10.39011,CCn1cc(-c2ccccc2)nc1CCc1nc2ccccc2nc1C,7.39205198395872
5sek_98,-108.689,-77.2395,-10.50337,Cn1cc(-c2ccccc2)nc1CCc1nc2ccccc2nc1N1CCCC1,8.463380093435276
5sel_1024,-74.5821,-77.9819,-7.74357,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccnn1-c1ccccn1,6.883478592242161
5sel_1035,-63.747,-83.946,-8.29138,Cn1ncc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)c1C(=O)N1CCCCC1,5.363040152688329
5sel_1042,-78.1633,-75.6027,-7.60629,CC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1,6.068043536367549
5sel_1046,-73.6232,-75.6713,-7.69723,Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1,6.187317214700733
5sel_1057,-69.5598,-69.9979,-7.00313,CCn1ncc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)c1C(=O)NCC(C)C,6.226123634662976
5sel_1069,-61.4674,-74.8365,-7.1438,CC(C)CNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C,6.334502499099366
5sel_1070,-72.8546,-75.9394,-7.96517,CC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)[nH]n1,5.0
5sel_1076,-70.3548,-76.4019,-7.2285,CCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1CC,5.717371770341325
5sel_1078,-76.7736,-70.2345,-8.15534,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)n[nH]1,5.0
5sel_1102,-84.468,-77.2319,-9.13101,Cn1cc(-c2ccncc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,6.905811971276509
5sel_1112,-73.2618,-70.1997,-7.30577,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1n[nH]cc1C#N,6.487358288384758
5sel_1120,-63.1316,-81.1018,-7.11945,CCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C,5.504557102180048
5sel_1129,-58.1195,-80.6831,-7.02419,CNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C,5.0794343049823265
5sel_1138,-72.5995,-69.4535,-6.80876,Cn1nccc1NC(=O)c1c(C(=O)N2CCC2)cnn1C,5.717458319473664
5sel_1139,-69.3567,-72.445,-7.46697,Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cc(Br)n1,5.3323884885246216
5sel_1149,-68.2509,-72.2075,-7.23322,Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n[nH]1,5.57187444292969
5sel_438,-90.7527,-79.8354,-9.66689,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccc2Cl)nn1C1CCCC1,6.055739960826381
5sel_468,-89.6599,-83.9892,-9.24725,Cn1nc(-c2ccc3ccccc3n2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C,9.0395292224657
5sel_535,-95.6655,-79.0709,-9.2599,Cn1nc(-c2ccccn2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C,8.09908693226233
5sel_542,-90.8145,-81.431,-9.60595,Cc1cc(Nc2cncnc2)cc(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,7.035174882116611
5sel_547,-100.086,-82.4679,-9.73742,Cn1nc(-c2ccccn2)cc1NC(=O)c1cc(C(F)(F)F)ncc1Br,5.0
5sel_548,-94.7169,-80.1056,-9.45811,Cc1cccc(-c2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)n[nH]2)n1,8.010728208358305
5sel_608,-92.5282,-81.8094,-9.72969,COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccccn2)nn1C,5.8605714917495
5sel_634,-93.1153,-79.0716,-9.07376,Cn1nc(-c2ccc(C(F)(F)F)cn2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C,7.585946324969052
5sel_636,-84.0062,-81.5568,-10.13575,Cn1nc(-c2ccccn2)cc1NC(=O)c1cc(Br)c[nH]c1=O,6.52963802804398
5sel_655,-95.8693,-84.0352,-9.51017,Cn1nc(-c2ccccn2)cc1NC(=O)c1cccc2c1OCCO2,5.0
5sel_662,-92.9131,-75.6641,-8.69018,Cn1nc(-c2ccccn2)cc1NC(=O)c1ccn(CC(F)(F)F)n1,5.0
5sel_666,-88.4993,-81.0716,-8.87131,CCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)nn1C,5.622889444137247
5sel_710,-92.6504,-72.7676,-9.43695,Cn1nc(-c2ccccn2)cc1NC(=O)c1cccn(C)c1=O,5.355047848403578
5sel_711,-26.4491,-86.9304,-9.12946,Cn1nc(-c2ccccn2)cc1NC(=O)c1c(Nc2cncnc2)cc[nH]c1=O,7.746392098412807
5sel_723,-93.5987,-84.6243,-8.66333,CSc1ncc(Br)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,5.119676522630589
5sel_726,-92.4101,-78.5022,-9.56828,Cc1ccc(C)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,5.475821923785533
5sel_772,-90.8333,-77.7891,-8.45821,Cc1ncn(C)c1C(=O)Nc1cc(-c2ccccn2)nn1C,5.0
5sel_774,-90.4605,-78.8461,-8.75773,Cn1nc(-c2ccccn2)cc1NC(=O)c1c(I)cc[nH]c1=O,5.552211768487664
5sel_776,-88.7783,-88.7795,-9.18301,COc1ncc(C2CC2)nc1C(=O)Nc1cc(-c2ccccn2)nn1C,5.77542472860629
5sel_814,-85.2511,-73.3237,-7.89575,CCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1,6.208041419925734
5sel_886,-89.4115,-72.4829,-8.80912,Cc1noc(C(=O)Nc2cc(-c3ccccn3)nn2C)c1Br,5.205991126591788
5sel_921,-89.9353,-77.5049,-8.67162,COc1ncccc1C(=O)Nc1cc(-c2ccccn2)nn1C,5.011862656037469
5sel_934,-89.2677,-74.8035,-8.57377,Cn1cc(Br)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,6.090603918990127
5sel_947,-96.8436,-75.9367,-10.09337,Cc1nc(-c2ccc(Cl)cc2)oc1C(=O)Nc1cc(-c2ccccn2)nn1C,6.014419955644152
5sel_958,-79.3623,-78.4355,-9.00161,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccc2Cl)n[nH]1,5.888166757550813
5sel_979,-85.5714,-76.5854,-8.02497,Cc1ncoc1C(=O)Nc1cc(-c2ccccn2)nn1C,5.573728398672015
5sel_985,-81.1675,-73.0836,-7.45731,CCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)[nH]n1,5.309910468135836
5sel_991,-84.7348,-75.5691,-8.48298,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCCCC2)n[nH]1,5.025206636838113
5sel_994,-74.0817,-80.9277,-7.96667,Cc1ncn(-c2ccccc2)c1C(=O)Nc1cc(-c2ccccn2)nn1C,5.667199913281962
5sem_15,-122.531,-71.7089,-10.83266,Cc1c(C(F)F)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12,8.251664534658605
5sem_226,-81.3181,-73.1073,-10.35798,Cc1c(C(F)(F)F)nc2ccc(OCc3nc(N4CCCC4)nn3C)nn12,6.537345993584396
5sem_25,-121.022,-69.1584,-10.89596,Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1,7.081953928192857
5sem_4,-126.854,-80.023,-11.37583,CNC(=O)c1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12,8.096503243158946
5sem_9,-124.476,-80.1897,-11.49505,Cc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12,8.42987014300335
5sen_1003,-83.4221,-63.4688,-8.76353,O=C(Nc1cn(-c2ccccn2)cn1)c1nc(C2CC2)ccc1Br,6.362243171472271
5sen_1007,-81.4721,-72.0791,-8.69865,Cc1nc2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)cn2n1,5.428835250209346
5sen_137,-108.402,-78.2905,-10.63981,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccc3ccccc3n2)cn1,9.15676722190199
5sen_222,-106.394,-82.8501,-10.98837,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cn(-c2ccc3ccccc3n2)cn1,8.755228238504705
5sen_414,-102.63,-70.2534,-9.74663,O=C(Nc1ccnc(Cl)c1)c1cn(-c2ccc3ccccc3n2)cn1,6.519433495128965
5sen_627,-93.2321,-74.7172,-9.61386,O=C(Nc1ccnc(Cl)n1)c1cn(-c2ccc3ccccc3n2)cn1,5.910715348726425
5sen_719,-90.0403,-63.752,-9.212,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1,5.052509911719697
5sen_802,-88.1019,-65.0265,-8.8514,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cccc(C(F)(F)F)n2)cn1,5.495609479220922
5sen_833,-86.8594,-64.8008,-8.67171,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccccn2)cn1,7.3419504252863454
5sen_906,-85.5638,-67.8046,-8.57926,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cnccn2)cn1,5.613152668490579
5sen_960,-89.3552,-66.0313,-7.78287,CCOC(=O)c1cnn(C)c1C(=O)Nc1cn(-c2ccccn2)cn1,5.573553318309095
5seo_150,-110.677,-75.5201,-10.0819,O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccccc2)cs1,6.465447218660365
5seo_177,-111.478,-79.3084,-10.29105,O=C1c2ccccc2C(=O)N1CCc1csc(-c2ccccc2)n1,5.598451789735042
5seo_260,-109.611,-75.8236,-10.10826,Cc1[nH]c(-c2cccnc2)nc1CCN1C(=O)c2ccccc2C1=O,5.81239017333364
5seo_292,-108.611,-75.4204,-9.90721,O=C1c2ccccc2C(=O)N1CCc1csc(-c2cccnc2)n1,5.228282544164197
5seo_299,-108.595,-73.2824,-10.19569,O=C1c2ccccc2C(=O)N1CCc1cnc(-c2ccccc2)[nH]1,6.2977676987322875
5seo_332,-108.787,-77.2998,-10.11637,COc1cccc(-c2noc(CCN3C(=O)c4ccccc4C3=O)n2)c1,5.0
5seo_395,-107.223,-75.3243,-10.16063,Cc1[nH]c(-c2ccncc2)nc1CCN1C(=O)c2ccccc2C1=O,4.760424737591141
5seo_490,-100.495,-72.1577,-9.66887,O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccccn2)no1,5.263545887799525
5seo_570,-98.8472,-71.0812,-9.58103,O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccncc2)no1,4.9252040681896
5seo_579,-98.5196,-74.1588,-9.53121,O=C1c2ccccc2C(=O)N1CCc1nc(-c2cccnc2)no1,4.785288737931327
5sep_149,-113.219,-79.7234,-10.2789,Cc1ncc(C)n2nc(CCc3nc(-n4ccccc4=O)cn3C)nc12,6.710857164067666
5sep_200,-106.708,-81.6879,-10.12045,Cc1ncc(C)n2nc(CCc3nc(N4CCCC4=O)cn3C3CC3)nc12,7.563837352959244
5sep_609,-96.3625,-72.4146,-9.31978,Cc1ncc(C)n2nc(CCc3nc(C(=O)N(C)C)cn3C)nc12,5.797368122484532
5sep_675,-96.5832,-70.4209,-9.13932,CNC(=O)c1cn(C)c(CCc2nc3c(C)ncc(C)n3n2)n1,6.640773715598186
5seq_244,-107.324,-88.8887,-10.61277,Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3-c3ccccc3)nc12,9.532218658650784
5seq_475,-105.698,-74.6404,-9.70672,Cc1cc(C)n2nc(CCc3nc(N4CCCC4)nn3C3CC3)nc2n1,8.086186147616283
5seq_500,-96.9864,-76.1566,-8.83654,Cn1nc(N2CCCC2)nc1CCc1nc2cnc(C#N)cn2n1,5.380254464849264
5seq_590,-104.13,-75.9708,-9.77916,Cc1nn2ccc(CCc3nc(N4CCCC4)nn3C)nc2c1C,7.774690718274137
5seq_620,-102.563,-73.1273,-9.28448,Cc1cn2nc(C)c(C)c2nc1CCc1nc(N2CCCC2)nn1C,7.119369307061522
5seq_678,-98.2269,-73.1746,-9.13368,Cc1cn2nc(CCc3nc(N4CCCC4)nn3C)nc2cn1,6.031982416066436
5ser_125,-95.4303,-97.6429,-9.28103,Cn1ncc(C(=O)N(CCO)CCO)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,8.399680670248337
5ser_421,-85.778,-78.4194,-9.82563,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccnc(S(C)(=O)=O)c3)nc2c1,8.055172003656782
5ser_84,-86.3096,-98.0576,-9.45823,Cn1ncc(C(=O)NCCOCCO)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1,7.86053022441057
5ses_110,-104.926,-76.6494,-10.29052,CN(C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2c(nc(-c3ccccc3)c2Cl)C1)C1CC1,7.282379418772826
5ses_112,-102.839,-82.2912,-9.62615,COCCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1,7.472241247479027
5ses_114,-102.217,-78.9647,-10.33413,Cc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N(C)C4CC4)cnn2C)CC3)c1,8.069254671688887
5ses_133,-103.259,-77.4482,-10.23473,CN(C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1)C1CC1,8.366834646316097
5ses_136,-101.167,-79.6616,-9.73923,CCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3cccc(OC)c3)nc2C1,5.76113478208281
5ses_141,-103.597,-79.0165,-10.76471,Cc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N4CCC4)cnn2C)CC3)c1,8.13335827943396
5ses_148,-101.362,-77.9976,-10.24313,COc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N4CCC4)cnn2C)CC3)c1,6.040495448208605
5ses_161,-103.705,-76.0342,-10.69954,Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3cccc(Cl)c3)nc2C1,8.181312336558486
5ses_173,-100.655,-76.4064,-10.69536,Cc1c(-c2ccccc2)nc2n1CC[C@@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)C2,7.958923280284525
5ses_190,-101.277,-78.2296,-9.56091,CN(CCF)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1,6.687435639698088
5ses_192,-99.8657,-80.9612,-10.09552,CN(C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)F)nc2C1)C1CC1,8.09816040794877
5ses_221,-102.015,-74.3154,-10.22062,CN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2c(nc(-c3ccccc3)c2Cl)C1,7.522256702214053
5ses_225,-104.002,-75.1849,-10.72439,Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2c(nc(-c3ccccc3)c2Cl)C1,8.157099511149035
5ses_230,-99.6022,-78.2945,-9.8404,COc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N(C)C)cnn2C)CC3)c1,6.578996933615847
5ses_241,-101.197,-74.3964,-10.25128,Cc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N(C)C)cnn2C)CC3)c1,7.473014931440003
5ses_242,-102.15,-82.0744,-10.06143,CCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1,7.827484636989227
5ses_248,-101.057,-78.1936,-10.01077,CN(C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1)C1COC1,7.35777297218919
5ses_251,-95.6315,-77.1316,-10.16743,CCOc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)CC2,8.65816994307949
5ses_253,-98.1739,-74.5497,-10.44088,Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)(F)F)nc2C1,7.3563105001969
5ses_257,-92.2981,-77.8601,-10.0913,Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)F)nc2C1,8.21910689131292
5ses_261,-100.232,-76.0806,-10.58574,Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccc(F)cc3)nc2C1,8.343326954115149
5ses_278,-95.3571,-74.4585,-9.91774,COc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N(C)C3CC3)cnn1C)CC2,7.873511429299626
5ses_302,-106.017,-98.6356,-9.41837,Cn1ncc(C(=O)NC2COC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1,6.7404371773854095
5ses_317,-97.1817,-75.1027,-9.83446,CN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)F)nc2C1,7.728855682050922
5ses_330,-96.0083,-73.1242,-10.31295,COc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)CC2,8.425274416405927
5ses_346,-101.203,-85.2722,-10.80306,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccc(F)cc3)nc2C1,5.362920742601818
5ses_351,-89.7117,-75.9275,-9.49008,COc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N(C)CCF)cnn1C)CC2,6.761743076739697
5ses_362,-94.4059,-76.8636,-9.89376,COc1ccccc1-c1nc2n(c1Cl)CC[C@@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)C2,6.723997088949777
5ses_379,-94.0786,-76.152,-10.53785,COc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N3CC(F)C3)cnn1C)CC2,8.355266072552807
5ses_408,-96.5896,-76.7258,-10.30577,Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1,8.654173214931504
5ses_457,-96.7066,-85.27,-10.59271,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3Cl)nc2C1,5.617730743424322
5ses_473,-93.7122,-78.0066,-9.90653,COc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N(C)C)cnn1C)CC2,8.085603947870213
5ses_495,-93.5793,-75.575,-10.50121,Cc1ccccc1-c1cn2c(n1)C[C@H](NC(=O)c1c(C(=O)N3CCC3)cnn1C)CC2,8.105075022640456
5set_1004,-70.2906,-69.0348,-8.39161,O=C(Nc1ccnn1S(=O)(=O)C(F)(F)F)c1nc(C2CC2)ccc1Nc1cncnc1,7.527404430285258
5set_1033,-66.261,-74.2362,-8.0086,Cn1nccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,6.982774611380464
5set_360,-83.9912,-88.7678,-9.51111,CN(c1cncnc1)c1ccc(C2CC2)nc1C(=O)Nc1cc(-c2ccccn2)nn1C,5.251955236247186
5set_472,-79.3921,-82.1845,-9.58628,COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,8.182104242838205
5set_519,-85.0677,-77.9923,-8.73201,CSc1ncc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,5.865477061348045
5set_737,-96.0671,-89.9674,-9.57901,O=C(Nc1cc(-c2ccccn2)no1)c1nc(C2CC2)ccc1Nc1cncnc1,8.415081776777567
5seu_117,-109.869,-71.8507,-9.98174,Cn1nc(N2CCCC2)nc1CCc1nc2cccc(C(F)(F)F)n2n1,7.247244957529324
5seu_156,-98.205,-69.0921,-9.79459,Cn1nc(N2CCCC2)nc1CCc1nc2cc(C#N)ccn2n1,6.498573729110593
5seu_224,-101.766,-74.0145,-10.50198,Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)c(F)c(N)n2n1,7.4901122903347055
5seu_320,-98.7504,-68.6512,-10.30655,Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)ccn2n1,6.480190375563656
5seu_342,-95.9277,-73.9361,-9.52072,Cn1nc(N2CCCC2)nc1CCc1nc2c(C#N)cccn2n1,6.329944424433695
5seu_407,-100.803,-68.7668,-9.61975,Cn1nc(N2CCCC2)nc1CCc1nc2c(F)cc(F)cn2n1,6.2017251231110775
5seu_511,-96.8339,-70.2045,-8.89774,Cn1nc(N2CCCC2)nc1CCc1nc2c(Br)cc(C(F)(F)F)cn2n1,7.437564377261879
5seu_57,-106.22,-69.9853,-10.18729,Cc1c(C#N)ccc2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.45979570015794
5seu_604,-103.942,-70.8303,-8.64306,Cc1c(C#N)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,7.513867182154296
5sev_289,-103.98,-70.0083,-9.6603,Cn1cc(-c2ccccc2)nc1CCc1cncc(-c2ccn[nH]2)n1,6.512616960731483
5sev_501,-102.544,-72.6387,-8.99052,Cl.Cn1cc(-c2ccccc2)nc1CCc1cncc(N2CCCN2)n1,6.906974263635841
5sex_152,-105.193,-78.6103,-9.56159,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1oc(COCc2ccccc2)nc1C,7.295394827799015
5sex_163,-104.459,-96.7924,-8.93892,CCc1nc(C)c(C(=O)Nc2cc3nc(-c4ccccc4)[nH]c3cc2C(=O)NCC2(CO)COC2)o1,8.138286412428567
5sex_178,-104.514,-81.0182,-9.32786,CCc1nc(C)c(C(=O)Nc2cc3nc(-c4ccccc4)[nH]c3cc2C(=O)NCC2(C)COC2)o1,8.45234834164003
5sex_238,-102.876,-80.731,-9.18036,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1oc(CO)nc1C,6.12582792324045
5sex_243,-101.044,-80.7933,-9.74053,Nc1ccc(C2CC2)nc1C(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1C(=O)NC1COC1,7.944851110110605
5sex_303,-97.1219,-84.1761,-8.86966,COCCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(Br)c[nH]c1=O,8.1444808443322
5sex_306,-97.6352,-84.8912,-8.43393,COCCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccnnc1,7.462571315976491
5sex_349,-87.8254,-83.4236,-9.2256,COCCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C2CC2)cnc1OC,9.183758700008216
5sex_424,-97.7712,-79.7128,-9.13297,CCc1nc(C)c(C(=O)Nc2cc3nc(-c4ccccc4)[nH]c3cc2C(=O)O)o1,5.873336201953369
5sex_466,-98.2573,-77.76,-9.18926,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccnnc1,7.6312112231588864
5sex_557,-94.5631,-71.356,-8.89472,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)on1,6.72146588750294
5sez_385,-99.959,-70.6619,-9.75472,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cncc(Cl)c1,7.148472594399748
5sez_454,-98.8751,-74.1673,-9.6835,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)ccn1,7.1181818358695645
5sez_86,-102.756,-83.8292,-11.30924,O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCCC2)c1,7.281133092709693
5sf0_1032,-88.1773,-82.8309,-8.25401,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1nnc(-c2ccccn2)o1,5.0
5sf0_1133,-80.7223,-71.6349,-8.25924,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2n1,8.089322245257295
5sf0_664,-87.5758,-77.3743,-9.10767,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccn2)n[nH]1,8.080974235412638
5sf0_876,-81.4582,-79.0352,-8.82543,CCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)n[nH]1,5.828574878683779
5sf0_941,-55.8091,-87.3642,-8.84512,Cn1nc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cc1C(=O)N1CCCCC1,5.0
5sf1_106,-116.862,-71.3887,-11.53267,Cc1c(C(F)(F)F)nc2ccc(C#Cc3nc(-c4ccccc4)cn3C)nn12,8.726767165956954
5sf1_138,-112.41,-79.1409,-11.22777,Cc1cc(C#Cc2nc(N3CCCC3)nn2C)nn2c(C)c(C(F)(F)F)nc12,9.192464971931146
5sf1_155,-112.528,-73.7036,-10.50835,Cc1c(C(F)F)nc2ccc(C#Cc3nc(N4CCCC4)nn3C)nn12,8.32403845035783
5sf1_164,-113.513,-71.469,-11.09616,Cn1cc(-c2ccccc2)nc1C#Cc1ccc2nc(C(F)(F)F)cn2n1,7.921253265726392
5sf1_389,-70.7346,-82.5042,-10.60223,Cc1c(C(F)(F)F)nc2ccc(C#Cc3nc(N4CCCC4)n(C)n3)nn12,8.406935568341282
5sf1_79,-114.635,-72.557,-10.96371,Cc1c(C#N)nc2ccc(C#Cc3nc(-c4ccccc4)cn3C)nn12,8.89585444944599
5sf2_1045,-82.3171,-66.7279,-8.31772,O=C(NC1CCN(c2ccccn2)CC1)c1nc(C2CC2)ccc1Nc1cncnc1,6.703561555823828
5sf2_1071,-89.558,-72.6325,-9.24547,CS(=O)(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.571201307937037
5sf2_1096,-59.3428,-78.4609,-7.55817,CNC(=O)c1nnsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.601330988789181
5sf2_423,-102.104,-84.6933,-9.56376,O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1nc(C2CC2)ccc1Nc1cncnc1,9.622588934495774
5sf2_545,-93.2416,-76.541,-9.97645,O=C(Nc1ccc(-n2ccccc2=O)cc1)c1nc(C2CC2)ccc1Nc1cncnc1,7.694390710433807
5sf2_556,-94.1669,-82.6241,-9.6632,O=C(Nc1ccccc1)c1cccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c1,8.168258166354361
5sf2_563,-93.4583,-71.5052,-9.46957,C[C@@H](NC(=O)c1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1)c1ccccc1,6.494010744768352
5sf2_621,-97.271,-80.6832,-8.55179,CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,10.029492878147217
5sf2_686,-89.2567,-78.0715,-9.82456,O=C(Nc1ccc(N2CCOCC2=O)cc1)c1nc(C2CC2)ccc1Nc1cncnc1,7.367542707815275
5sf2_733,-89.0778,-74.7865,-9.65184,O=C(Nc1ccc(N2CCCC2=O)cc1)c1nc(C2CC2)ccc1Nc1cncnc1,7.749043560668105
5sf2_788,-91.6286,-75.3021,-9.58068,O=C1NCc2ccc(NC(=O)c3nc(C4CC4)ccc3Nc3cncnc3)cc21,7.710054483823332
5sf2_790,-78.3524,-82.22,-8.97338,COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cccc(-c3ccn(C)n3)c2)n1,8.273843533827245
5sf2_794,-83.6686,-83.3204,-8.25722,CC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1,7.561426009781367
5sf2_809,-92.2593,-76.3385,-8.6443,CNC(=O)Cc1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.272588888157285
5sf2_831,-84.3181,-81.7995,-9.28281,O=C(Nc1cccc(N2CCCC2=O)c1)c1nc(C2CC2)ccc1Nc1cncnc1,7.62982011448724
5sf2_849,-87.9529,-75.9803,-9.74854,CN1C(=O)c2ccc(NC(=O)c3nc(C4CC4)ccc3Nc3cncnc3)cc2C1=O,7.322749022642155
5sf2_923,-89.9659,-75.7356,-8.35254,O=C(N[C@@H]1CCN(c2ccc(Cl)nn2)C1)c1nc(C2CC2)ccc1Nc1cncnc1,7.93979337893265
5sf2_929,-94.4718,-74.6469,-8.82727,O=C(Nc1ccc2cccnc2c1)c1nc(C2CC2)ccc1Nc1cncnc1,8.240558802866301
5sf2_935,-66.8696,-84.759,-9.47116,O=C(Nc1conc1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1,8.160836317085348
5sf2_945,-89.8271,-74.5941,-8.32493,O=C(Nc1ccc2nccnc2c1)c1nc(C2CC2)ccc1Nc1cncnc1,7.261124350945187
5sf2_953,-59.6808,-89.6423,-8.29575,O=C(Nc1ccc(-c2ccccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1,8.845070943900685
5sf2_954,-60.1954,-90.0023,-9.83842,O=C(Nc1cc(-c2ccccc2)on1)c1nc(C2CC2)ccc1Nc1cncnc1,5.839861141551539
5sf2_969,-86.573,-68.9284,-8.75281,CNC(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.878732267297924
5sf2_974,-83.5295,-74.3577,-8.14382,CC(=O)c1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1,7.448379245635826
5sf2_990,-80.0839,-75.3516,-9.27783,O=C(Nc1conc1-c1ccccn1)c1nc(C2CC2)ccc1Nc1cncnc1,7.817442698695087
5sf3_1127,-74.2366,-63.6596,-8.12733,CCCn1ccc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n1,6.139665587605108
5sf3_757,-94.3796,-75.6941,-10.18258,Cn1cc2c(n1)CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn3cc(-c4ccccc4)nc3n1)C2,6.016257826280363
5sf3_759,-108.334,-82.1617,-8.93907,Cn1ncc(C(=O)NCc2nc(C#N)cs2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.541374235858507
5sf3_983,-82.8117,-82.5216,-8.22065,Cn1ncc(C(=O)NCc2cc(C3CC3)[nH]n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.519717037024933
5sf3_99,-114.011,-85.3851,-11.10303,Cc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n[nH]1,7.777231520651421
5sf4_104,-103.323,-87.9216,-10.84649,CC(C)(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.891671805733814
5sf4_113,-100.91,-81.4199,-10.83258,Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.491412196610058
5sf4_12,-108.324,-80.7123,-11.637,CN1CCC(n2nc(-c3ccccn3)cc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)CC1,8.38184726662148
5sf4_124,-100.699,-80.1823,-11.03982,Cn1nc(-c2ccc(Cl)cn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.499900808084277
5sf4_13,-107.636,-85.1691,-11.69986,O=C(Nc1cc(-c2ccccn2)nn1C1CCCCC1)c1nc(C2CC2)ccc1Nc1cncnc1,8.878768544850377
5sf4_134,-93.6612,-74.6961,-10.88587,Cn1nc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cc1-c1ccccn1,6.8963570119925155
5sf4_159,-99.1977,-83.3354,-11.08712,Cn1nc(-c2cccc(Cl)n2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.557990840859047
5sf4_16,-99.4141,-90.2355,-10.47161,O=C(Nc1cc(-c2ccccn2)nn1CCN1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1,8.815024809301738
5sf4_179,-85.0626,-82.7325,-10.32283,CNC(=O)c1nc(-c2ccccn2)sc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.865822892423234
5sf4_18,-105.795,-80.4169,-11.12374,O=C(Nc1cc(-c2ccccn2)nn1CCc1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1,8.308741641866888
5sf4_184,-92.6718,-83.9539,-10.49578,CNC(=O)c1cn2cc(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,9.649459435662532
5sf4_2,-110.124,-82.7836,-11.09844,Cn1cncc1Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.819874124835946
5sf4_24,-106.965,-80.235,-11.44317,O=C(Nc1cc(-c2ccccn2)nn1C1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1,8.85047298624565
5sf4_259,-86.4259,-86.1493,-10.55628,CNC(=O)c1nc(-c2ccccc2)sc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,5.956384293727137
5sf4_295,-95.9436,-80.528,-10.69297,CCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1,8.702677285794698
5sf4_33,-99.2298,-85.585,-10.27962,CN(C)CCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.980468315468745
5sf4_35,-87.5787,-75.9752,-10.59568,CN(C)CCn1nc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cc1-c1ccccn1,7.622365965752406
5sf4_398,-87.1741,-84.3524,-10.13595,O=C(Nc1cnc(-c2ccccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1,8.646276062411049
5sf4_404,-82.1967,-79.3524,-10.01047,CN(C)C(=O)c1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n(C)n1,6.351698549526414
5sf4_44,-102.684,-87.248,-10.66533,CC(C)Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.907981529247202
5sf4_46,-93.6257,-86.2536,-10.9848,Cn1nc(-c2ccc3ccccc3n2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,10.101262356231333
5sf4_460,-64.6726,-81.6309,-10.02869,O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1nc(C2CC2)ccc1Nc1cncnc1,5.207884796674063
5sf4_488,-102.242,-80.7801,-10.20171,O=C(Nc1cc(-c2ccccc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1,6.213161301949234
5sf4_5,-110.051,-84.1598,-11.07576,O=C(Nc1cc(-c2ccccn2)nn1Cc1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1,8.765989182412818
5sf4_509,-104.307,-75.9611,-10.72357,O=C(Nc1cc(-c2ccc(F)cc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1,5.610714102339657
5sf4_531,-91.1092,-79.445,-10.38263,O=C(Nc1ccn2cc(-c3ccccc3)nc2n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.203356296214883
5sf4_534,-96.7565,-73.0432,-10.03517,O=C(Nc1cc(-c2ccc(Br)cc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1,6.107400128025168
5sf4_555,-48.5572,-79.3656,-9.80821,O=C(Nc1nnc(-c2cnccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1,6.128550248771649
5sf4_56,-102.811,-82.736,-10.13257,N#CCCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,6.769221650723183
5sf4_576,-82.4897,-78.2486,-9.85391,CNC(=O)c1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n(C)n1,7.13111230560902
5sf4_577,-93.5458,-74.1152,-10.11404,O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1,5.838276321488039
5sf4_58,-101.825,-85.6897,-10.49872,CCCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.773915884024175
5sf4_60,-102.245,-80.1722,-11.01623,CC(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.592779107072603
5sf4_607,-83.9239,-77.7053,-10.00751,O=C(Nc1cnoc1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1,8.714892970433189
5sf4_670,-81.5466,-76.5147,-9.63089,O=C(Nc1nnc(-c2ccccc2)s1)c1nc(C2CC2)ccc1Nc1cncnc1,6.361569651349424
5sf4_677,-90.4598,-72.9154,-8.9662,Cn1nc(C2CCCC2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,6.357100934125249
5sf4_7,-111.24,-83.3626,-11.36415,O=C(Nc1cc(-c2ccccn2)nn1CC1CCCCC1)c1nc(C2CC2)ccc1Nc1cncnc1,8.976747540366288
5sf4_818,-78.6952,-77.0115,-9.68978,O=C(Nc1snnc1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1,8.120502712750572
5sf4_88,-100.973,-77.5574,-10.57179,O=C(Nc1cc(-c2ccccn2)nn1CC(F)(F)F)c1nc(C2CC2)ccc1Nc1cncnc1,8.595850750790303
5sf4_90,-100.506,-78.2066,-10.6801,CCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.325598187154718
5sf5_109,-114.965,-73.3608,-10.41277,Cc1nc2ccc(CCc3nc(-c4ccccn4)cn3C)nn2c1C,8.482276405166264
5sf5_122,-114.41,-74.6006,-9.78975,Cc1c(C#N)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12,8.271402756616569
5sf5_189,-114.431,-75.9328,-10.41347,Cc1nc2ccc(CCc3nc(-c4cccnc4)cn3C)nn2c1C,5.77262807227759
5sf5_231,-113.368,-72.9927,-10.33271,Cc1nc2ccc(CCc3nc(-c4ccncc4)cn3C)nn2c1C,7.490152565561421
5sf5_246,-111.248,-70.7633,-9.9706,Cc1nc2ccc(CCc3cccc(N4CCCC4)n3)nn2c1C,6.1967846815979355
5sf5_27,-120.484,-79.2351,-10.40278,Cc1nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn2c1CO,7.688839727120871
5sf5_270,-110.048,-71.1983,-10.10441,Cc1nc2ccc(CCc3nc(-c4cnccn4)cn3C)nn2c1C,7.478848835333871
5sf5_291,-110.4,-72.3485,-10.19568,Cc1nc2ccc(CCc3nc(-c4ncccn4)cn3C)nn2c1C,8.03711001260821
5sf5_301,-112.309,-73.0459,-10.16996,Cc1nc2ccc(CCc3nc(-c4cncnc4)cn3C)nn2c1C,7.006722525432636
5sf5_334,-109.962,-71.4637,-10.24758,Cc1nc2ccc(CCc3nc(-c4ccnnc4)cn3C)nn2c1C,7.090663312761874
5sf5_42,-118.504,-77.3846,-10.82874,Cc1nc2c(C)c(C)c(CCc3nc(-c4ccccc4)cn3C)nn2c1C,8.620513186282725
5sf5_63,-117.323,-74.8388,-9.574,Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C3CC3)c(CO)n2n1,6.183370991788168
5sf5_82,-118.168,-73.8127,-10.67408,Cc1nn2ccc(CCc3nc(-c4ccccc4)cn3C)nc2c1C,8.311046537362582
5sf6_216,-106.309,-69.0017,-9.99772,Cc1cnn2c(C)c(CCc3nc(N4CCCC4)nn3C)nc2c1C,7.692610944346694
5sf7_1048,-74.3409,-70.2722,-8.50539,COc1ccc2c(=O)n(C)c3cnc(-c4ccccc4Cl)n3c2c1,6.363879700602039
5sf7_1111,-79.4305,-68.0285,-7.59853,COc1ccc2c(=O)n(C)c3c(C)nc(C)n3c2c1,5.598638237242671
5sf7_908,-77.9836,-69.8531,-8.53465,COc1ccc2c(=O)n(C)c3c(C(C)C)nc(-c4ccccc4Cl)n3c2c1,6.112851095554965
5sf7_948,-81.7007,-73.086,-9.76664,Cc1ccc2c(c1)c(=O)n(C)c1c(C)nc(-c3ccccc3Cl)n21,7.577082019232337
5sf7_965,-80.4708,-73.8081,-9.2698,COc1ccc2c(c1)c(=O)n(C)c1c(C)nc(-c3ccccc3Cl)n21,8.113509274827516
5sf7_967,-82.5637,-68.9495,-9.60506,Cc1nc(-c2ccccc2Cl)n2c3ccc(Cl)cc3c(=O)n(C)c12,7.835809968899864
5sf7_981,-77.4785,-71.9022,-8.71469,COc1ccc2c(=O)n(C)c3c(C)nc(-c4cccc(Cl)c4)n3c2c1,7.1485220033685675
5sf7_987,-81.9448,-70.8237,-9.42612,Cc1nc(-c2ccccc2Cl)n2c3cc(Cl)ccc3c(=O)n(C)c12,8.184555083755649
5sf8_0,-124.521,-80.7966,-11.3677,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2cccc(F)c2)nn1-c1ccccc1,9.181369743174482
5sf8_22,-119.839,-81.0971,-10.78365,Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)oc1-c1cccnc1,8.738023808602186
5sf9_1025,-87.3709,-78.6226,-9.12087,Cc1nc2ccccc2nc1OCc1csc(N2CCCC2)n1,7.189235868089779
5sf9_403,-105.65,-83.0434,-9.74876,Cn1cc(-c2ccccc2)nc1COc1nc2ccccc2nc1N1CCCC1,8.112832979105226
5sf9_463,-112.466,-81.5621,-10.77865,Cc1ccc2nc(OCc3nc(-c4ccccc4)cn3C)c(Cl)nc2c1,8.37345434097287
5sf9_540,-109.303,-82.2175,-10.20914,Cc1ccc2nc(Cl)c(OCc3nc(-c4ccccc4)cn3C)nc2c1,8.296021174991612
5sf9_587,-111.752,-85.2913,-10.52032,Cc1nc2cc(Cl)ccc2nc1OCc1nc(-c2ccccc2)cn1C,8.392652223231586
5sf9_598,-108.137,-76.0822,-10.27874,Cn1cc(-c2ccccc2)nc1COc1cnc2cc(Cl)ccc2n1,8.010105436281226
5sf9_616,-107.102,-79.3905,-9.8423,Cc1nc2ccccc2nc1OCc1cccc(N2CCCCC2)n1,5.772311471391183
5sf9_644,-106.305,-81.7315,-9.66183,Cn1cc(-c2ccccc2)nc1COc1nc2ccccc2nc1C(F)(F)F,7.581765018243235
5sf9_769,-107.6,-80.1103,-10.10105,Cc1nc2ccc(Cl)cc2nc1OCc1nc(-c2ccccc2)cn1C,8.195179321278836
5sf9_810,-103.061,-76.8811,-10.10197,Cc1nc2ccccc2nc1OCc1nc(-c2ccc(Cl)cc2)cn1C,6.745853292968064
5sf9_873,-104.369,-82.712,-9.51709,Cc1nc2ccccc2nc1OCc1cccc(N2CCCC2)n1,7.426130899151893
5sf9_951,-87.765,-81.112,-9.32984,Cc1nc2ccccc2nc1OCc1csc(N2CCOCC2)n1,5.624550725408521
5sf9_982,-80.1934,-85.5112,-9.32622,Cc1nc2cc(Cl)ccc2nc1OCc1nc(N2CCCC2)nn1C.Cc1nc2ccc(Cl)cc2nc1OCc1nc(N2CCCC2)nn1C,7.552407891178462
5sfa_191,-116.704,-76.1775,-9.641,Cn1cc(-c2ccccc2)nc1COc1ncc(C2CC2)nc1C(=O)NCC1CC1,6.6540502066184954
5sfa_252,-115.525,-75.9824,-9.51654,CC(C)NC(=O)c1nc(C2CC2)cnc1OCc1nc(-c2ccccc2)cn1C,5.97278539111443
5sfa_297,-115.957,-76.0091,-10.097,Cn1cc(-c2ccccc2)nc1COc1ncc(Cl)nc1C(=O)NCc1ccccc1,6.869830329307472
5sfa_59,-125.731,-77.3694,-10.71583,Cn1cc(-c2ccccc2)nc1COc1ncc(C2CC2)nc1C(=O)NCc1ccccc1,7.240793129668653
5sfa_716,-104.041,-77.7193,-9.81939,Cn1cc(-c2ccccc2)nc1COc1cnc(Br)c(C(=O)Nc2cncnc2)n1,5.532023898862991
5sfb_145,-113.168,-78.2913,-10.97023,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C(F)(F)F)nc12,7.864581094972147
5sfc_1029,-65.6171,-83.5722,-6.4921,Cn1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)c(C(=O)NCc2ccccn2)n1,6.400470618171874
5sfc_144,-92.7644,-81.8765,-9.46274,CCN(C)C(=O)c1c(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)cnn1C,5.0
5sfc_409,-87.8215,-82.929,-9.61044,CN(C)C(=O)c1nn(C)cc1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,7.198767846169708
5sfe_319,-92.6933,-79.7474,-9.32477,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(Br)c3)nc2n1,7.396498374909862
5sfe_656,-92.7406,-81.5443,-9.57588,CNC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1,7.210172599682447
5sff_427,-107.254,-73.3027,-9.85762,Cc1nc2ccc(C#Cc3nc(N4CCCC4)nn3C)nn2c1Cl,8.602755418989613
5sff_505,-106.343,-72.257,-9.49736,Cc1cn2nc(C#Cc3nc(N4CCCC4)nn3C)ccc2n1,8.035622374402063
5sfg_102,-109.817,-69.7122,-10.12249,O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1nc(C2CC2)ccc1Nc1cncnc1,8.675451255051176
5sfg_118,-103.307,-68.49,-10.23622,O=C(N[C@@H]1C[C@@H](CO)N(c2ccc(Cl)cn2)C1)c1nc(C2CC2)ccc1Nc1cncnc1,8.62874737087506
5sfg_212,-109.748,-69.1452,-10.46966,CC(C)c1ncc(Nc2ccon2)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cn3)C2)n1,6.634063397094873
5sfg_336,-103.261,-71.7323,-9.75099,Cc1ncc(Nc2cncnc2)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cn3)C2)n1,6.615279302628632
5sfg_95,-106.833,-85.0562,-9.60302,CN(c1cncnc1)c1ccc(C2CC2)nc1C(=O)N[C@@H]1CCN(c2ccc(Br)cn2)C1,5.0786973815772765
5sfg_986,-74.5793,-62.7406,-8.41009,Cc1nc(CCNC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n[nH]1,6.567150917960214
5sfh_1131,-85.4618,-69.6108,-7.98701,Cc1ncc(C)n2nc(CCc3nc(Br)nn3C)nc12,5.605851906039028
5sfh_1145,-52.7555,-93.4628,-6.84582,Cc1ncc(C)n2nc(CCc3nc(N4CCN(C(c5ccccc5)c5ccccc5)C4=O)nn3C)nc12,5.321829924554076
5sfh_1150,-81.8151,-68.9001,-7.98504,Cc1ncc(C)n2nc(CCc3nc(N)nn3C)nc12,5.405344852698748
5sfh_515,-107.418,-79.1153,-9.88397,Cc1ncc(C)n2nc(CCc3nc(N4CCNCC4)nn3C)nc12,6.11471343074805
5sfh_753,-101.182,-76.4467,-8.80346,CCN(c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1)C1CC1,6.730526751177828
5sfh_771,-95.391,-79.2319,-8.60403,CCN(CC)c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1,7.29607269577961
5sfh_826,-95.1651,-74.8309,-9.20269,Cc1ncc(C)n2nc(CCc3nc(N4CC(F)C4)nn3C)nc12,7.255175234033314
5sfh_836,-100.831,-73.9462,-9.49858,Cc1ncc(C)n2nc(CCc3nc(-n4cccn4)nn3C)nc12,6.770782006318803
5sfh_841,-93.9726,-73.3942,-8.45929,Cc1ncc(C)n2nc(CCc3nc(N(C)CC4CC4)nn3C)nc12,6.930331903088404
5sfh_847,-92.9217,-74.3138,-8.19089,COCCN(C)c1nc(CCc2nc3c(C)ncc(C)n3n2)nn1C,5.748969243260465
5sfh_879,-97.0978,-71.1621,-9.61203,Cc1ncc(C)n2nc(CCc3nc(N4CC(F)(F)C4)nn3C)nc12,6.322881446899682
5sfh_887,-96.7138,-79.8999,-9.62217,Cc1ncc(C)n2nc(CCc3nc(N4CCNC4=O)nn3C)nc12,5.974493831875449
5sfh_943,-94.525,-75.5254,-8.93746,Cc1ncc(C)n2nc(CCc3nc(N4CC(C)C4)nn3C)nc12,6.965732602961975
5sfh_956,-99.7852,-71.6934,-9.21193,Cc1ncc(C)n2nc(CCc3nc(C4CCCC4)nn3C)nc12,6.835430051243333
5sfh_961,-96.4168,-76.9444,-9.45384,Cc1ncc(C)n2nc(CCc3nc(-c4cn[nH]c4)nn3C)nc12,7.05842894292573
5sfh_984,-92.2549,-79.1093,-8.9063,Cc1ncc(C)n2nc(CCc3nc(N4CCCOCC4)nn3C)nc12,5.8951859252302
5sfi_249,-101.036,-82.3398,-9.1677,COC[C@H]1CCCN1c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1,7.926251302423478
5sfi_269,-105.855,-74.9446,-9.90153,Cc1ncc(C)n2nc(CCc3nc(N4CCC[C@@H]4C)nn3C)nc12,8.343249038950207
5sfi_290,-108.477,-71.765,-9.8611,CNC(=O)c1c(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)cnn1C,6.4723095340918535
5sfi_294,-105.979,-80.3736,-10.07869,Cc1ncc(C)n2nc(CCc3nc(N4CCC[C@@H]4C(F)(F)F)nn3C)nc12,7.465846925814938
5sfi_376,-91.3635,-82.1845,-9.28752,COC[C@H]1CCCN1c1n[nH]c(CCc2nc3c(C)ncc(C)n3n2)n1,8.075720713938118
5sfi_38,-109.779,-82.2105,-9.44063,COC[C@H]1CCCN1c1nc(CCc2nc3c(C)ncc(C)n3n2)n(Cc2ccc(OC)cc2)n1,7.825765695058978
5sfi_392,-107.488,-78.3188,-9.49453,Cc1ncc(C)n2nc(CCc3nc(N4CC[C@@H](C)[C@H]4C)nn3C)nc12.Cc1ncc(C)n2nc(CCc3nc(N4CC[C@H](C)[C@H]4C)nn3C)nc12,7.364516253185088
5sfi_447,-36.2932,-106.606,-9.32364,Cc1ncc(C)n2nc(CCc3nc(N4CC[C@@H](C)C4)nn3C)nc12,7.548774684433295
5sfi_524,-104.737,-78.4926,-9.65333,Cc1ncc(C)n2nc(CCc3nc(N4CC5CC4C5)nn3C)nc12,6.066360887475074
5sfj_1058,-84.5064,-75.8268,-7.61186,CN(Cc1ccc(Br)cn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,7.00129612975001
5sfj_1146,-68.4961,-74.2551,-7.70924,Cn1ncc(C(=O)NCc2cn3ccccc3n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.584752798792925
5sfj_1153,-72.0529,-77.0837,-7.0094,Cn1ncc(C(=O)NCc2nc3ccccc3[nH]2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,5.816625653432377
5sfj_1156,-67.6832,-81.5473,-8.74936,Cn1ncc(C(=O)NCc2cc(C(F)(F)F)ccn2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,5.5593411814147835
5sfj_1157,-65.4997,-80.3986,-8.49932,Cn1ncc(C(=O)NCc2cccc(C(F)(F)F)n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,5.320702138628145
5sfj_1161,-8.01529,-74.2909,-7.21444,Cn1ncc(C(=O)NCc2ccc(C(F)(F)F)nc2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.702530574671441
5sfj_153,-103.604,-81.074,-10.41428,Cn1ncc(C(=O)NCc2ccno2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,7.45523763978337
5sfj_194,-105.535,-82.1321,-10.67952,Cn1ncc(C(=O)NCc2ccccc2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.205061858830567
5sfj_211,-109.562,-87.9494,-10.53931,CN(Cc1ccccn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,7.192938760082761
5sfj_213,-101.712,-88.4221,-9.69364,Cc1nc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)cs1,6.196525813363125
5sfj_339,-97.7876,-82.9585,-9.92233,Cc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)on1,7.586800856334359
5sfj_601,-88.8501,-78.5697,-8.26598,CCc1nc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)cs1,5.94618887060008
5sfj_660,-87.7115,-77.4915,-8.43698,CCc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)on1,6.338693813509904
5sfj_862,-86.438,-74.5479,-8.54903,Cc1ccc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)nc1,6.4920507232772975
5sfj_866,-85.7607,-79.2321,-9.81205,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1,7.585377570077477
5sfj_962,-84.0648,-77.8044,-7.8852,Cn1ncc(C(=O)NCc2cn3ccsc3n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.51527604074493
5sfj_973,-79.3873,-78.056,-8.46197,Cn1ncc(C(=O)NCc2ccc(Cl)nc2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,6.501911475691297
5sfk_1005,-60.2285,-83.1149,-9.34245,CN(C)C(=O)c1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)nn1C,6.170395220665056
5sfk_1013,-43.5985,-82.7279,-8.31214,CC(C)n1nc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cc1C(=O)N(C)C,6.1004361024744
5sfk_446,-94.1064,-72.2651,-9.34995,O=C(Nc1ccn(Cc2ccccc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.466898182660904
5sfk_485,-88.7462,-73.1953,-8.86444,O=C(Nc1ccn(CCCC(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.176590985107454
5sfk_498,-87.4573,-73.2537,-9.13171,O=C(Nc1ccn(CCC(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.014438812226656
5sfk_537,-88.8793,-75.5992,-10.07111,O=C(Nc1ccn([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.908720035771162
5sfk_580,-87.544,-72.0997,-9.49445,O=C(Nc1ccn(C2CCCC2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.2476441958465
5sfk_593,-85.1032,-70.289,-9.08728,O=C(Nc1ccn(CC2CC2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.635242693428789
5sfk_597,-85.4361,-76.4852,-8.88934,O=C(Nc1ccn(CCO)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.297233532304884
5sfk_603,-87.4516,-69.2775,-9.08197,O=C(Nc1ccn(CC(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.1944991418416
5sfk_610,-87.9064,-78.6984,-9.97447,Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn([C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)n2)n1,7.283963250382191
5sfk_624,-86.6944,-72.4015,-9.01298,CC(C)Cn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1,8.229958445680332
5sfk_632,-86.9361,-71.8075,-9.57915,O=C(Nc1ccn(C2CCCCC2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.715524146994678
5sfk_635,-83.8129,-77.4559,-9.42631,O=C(Nc1ccn(S(=O)(=O)C(F)(F)F)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.739213331345024
5sfk_640,-85.0828,-70.6121,-8.61574,COCCn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1,7.849796371237192
5sfk_643,-86.4529,-71.1027,-8.86469,CCCn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1,7.8531280969142605
5sfk_692,-84.4387,-71.3375,-9.07169,CC(C)n1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1,7.320308699182853
5sfk_695,-83.3439,-70.3993,-9.03272,O=C(Nc1ccn(C2CCC2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.680311106750501
5sfk_697,-78.5023,-76.1749,-9.54033,O=C(Nc1ccn(-c2ccc(F)cc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.630338940621702
5sfk_698,-84.6398,-70.9678,-8.68841,O=C(Nc1ccn(CCF)n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.007049039429553
5sfk_715,-83.8914,-70.1387,-8.9503,O=C(Nc1ccn(C2CC2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,7.584459099487144
5sfk_763,-78.5195,-73.8605,-9.46175,O=C(Nc1ccn(-c2ccncc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1,8.013183495414463
5sfk_811,-87.1071,-72.5672,-9.25729,O=C(Nc1nc2cccnc2s1)c1nc(C2CC2)ccc1Nc1cncnc1,7.698340733448479
5sfk_819,-83.4277,-66.741,-8.90098,CCn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1,7.145499632122897
5sfk_843,-75.1092,-74.7235,-9.28716,Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccncc3)n2)n1,7.316142794599653
5sfk_859,-83.8214,-74.1166,-8.94461,O=C(Nc1ccn(CC(F)(F)F)n1)c1nc(Cl)ccc1Nc1cncnc1,6.805879893333925
5sfk_864,-81.2534,-75.0767,-8.42883,COCCn1ccc(NC(=O)c2nc(Cl)ccc2Nc2cncnc2)n1,6.9314356874934235
5sfk_872,-76.8563,-75.3449,-9.40922,Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccccc3)n2)n1,7.045342696203725
5sfk_883,-82.7473,-68.609,-8.80378,Cn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1,6.92777216701888
5sfk_903,-73.5091,-76.3391,-9.35384,Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccccn3)n2)n1,6.434661123228933
5sfk_940,-60.0289,-70.5058,-8.84241,Cc1ccc(Nc2cncc(O)n2)c(C(=O)Nc2ccn(C)n2)n1,5.0891193089537206
5sfl_1006,-88.0706,-66.2874,-7.92018,CC(C)(NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)c1nnc(-c2cccnc2)o1,5.840046805146965
5sfl_1008,-85.4424,-70.7869,-8.20277,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(Cc2ccccc2)CC1,6.430331198047461
5sfl_1010,-82.2687,-69.7125,-7.08524,COCC1(CNC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)CC1,5.7461298738249225
5sfl_1011,-89.5255,-74.1414,-8.18244,COc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.306563263767558
5sfl_1012,-81.4104,-72.5221,-8.85938,O=C(Nc1c(C(=O)N2CCC2)ccc(F)c1F)c1nc(C2CC2)cnc1Nc1cncnc1,7.063948947102531
5sfl_1016,-81.8275,-76.7781,-8.05511,CC(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.309360988284032
5sfl_1017,-86.0153,-71.676,-7.72266,O=C(NCc1ccncn1)c1nc(C2CC2)cnc1Nc1cncnc1,6.114528523881955
5sfl_1027,-85.1379,-64.9037,-7.48178,COCCCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.0246936724669675
5sfl_1028,-87.2383,-67.3943,-7.8533,O=C(NCc1cncs1)c1nc(C2CC2)cnc1Nc1cncnc1,6.050541682741773
5sfl_1031,-82.3881,-73.1344,-7.06872,O=C(NC1CCS(=O)(=O)CC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.0
5sfl_1039,-83.2346,-73.069,-8.80637,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCC2)CC1,5.0
5sfl_1040,-86.4712,-75.705,-9.02412,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCCC2)CC1,5.0
5sfl_1059,-84.4217,-65.7228,-7.56976,O=C(NC1CCOCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.7475994532115955
5sfl_1060,-80.8108,-73.8857,-8.15012,CNC(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.752763450493235
5sfl_1065,-87.2074,-77.6512,-8.41485,CC(C)(O)CNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.221848749616356
5sfl_1072,-89.8317,-71.102,-8.40765,CS(=O)(=O)N1CCC(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)CC1,5.543021830664204
5sfl_1074,-82.9199,-74.9437,-7.52061,O=C(NC1(c2ccc(Cl)cc2)CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,6.063638086063908
5sfl_1079,-77.3167,-71.6924,-8.35831,CC(C)(O)CNC(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.575118363368933
5sfl_1086,-84.5862,-69.2451,-7.38817,O=C(NCc1ncco1)c1nc(C2CC2)cnc1Nc1cncnc1,5.988574204356942
5sfl_1092,-80.9115,-60.8455,-7.56262,CC1(CNC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)COC1,5.525066140105741
5sfl_1098,-82.0582,-66.1051,-8.32926,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCC(N2CCOCC2)CC1,5.0
5sfl_1108,-74.818,-67.5762,-8.05127,CNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.55972078676441
5sfl_1110,-71.9885,-71.019,-8.13559,CN(C)C(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.4746208501224425
5sfl_1113,-79.4006,-73.0523,-8.54559,CN(C)C(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.437298466553407
5sfl_1124,-78.835,-60.1456,-7.5956,O=C(NCC(F)(F)F)c1nc(C2CC2)cnc1Nc1cncnc1,5.9052054546512815
5sfl_181,-111.921,-76.4904,-9.66075,O=C(NCCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1,6.305109751791323
5sfl_271,-108.651,-75.5452,-9.83133,O=C(NCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1,7.319283852429062
5sfl_275,-108.343,-75.1599,-9.92623,O=C(NCCc1noc(Cc2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1,6.861564664866407
5sfl_323,-101.887,-75.0216,-8.47331,COCCOc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)c1,9.130947195090975
5sfl_36,-124.944,-77.709,-10.40379,Cn1cc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.792392558088086
5sfl_383,-103.74,-73.8977,-9.35949,O=C(NCCc1ccc(C(F)(F)F)cc1)c1nc(C2CC2)cnc1Nc1cncnc1,6.600447413394065
5sfl_449,-98.2895,-74.9855,-9.12569,O=C(NCCN1CCCc2ccccc21)c1nc(C2CC2)cnc1Nc1cncnc1,7.337043948688595
5sfl_464,-95.6258,-76.6356,-8.71427,CC(C)(O)CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.31106287427796
5sfl_476,-94.3722,-76.5671,-8.94023,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cccnc2)c1C(=O)N1CCC1,7.111567756206319
5sfl_491,-103.007,-71.7928,-8.9946,O=C(NCCc1cccc(C(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.081974908349232
5sfl_494,-95.5651,-88.2172,-9.0328,CC(C)c1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)c1,8.974771452607134
5sfl_499,-92.1711,-78.2315,-8.94907,CCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCOCC1,7.050897991909341
5sfl_504,-100.111,-71.1239,-9.04501,CC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.641113795594132
5sfl_506,-91.6839,-78.2573,-8.14919,CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCC(F)(F)F,7.893296263980146
5sfl_530,-93.2881,-76.781,-9.27869,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCCC1,7.482804102050026
5sfl_539,-92.4846,-78.5776,-8.68989,COCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1,9.317203599028199
5sfl_541,-98.5179,-77.0971,-8.9946,CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F,8.341797746612984
5sfl_551,-98.6768,-79.3684,-9.1274,O=C(Nc1ccc(C2CC2)nc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,8.069917366607628
5sfl_553,-93.9993,-85.525,-8.75748,CCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1,9.390405590774781
5sfl_554,-94.8999,-82.0283,-9.6455,O=C(Nc1cncnc1C(=O)N1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,7.0904653651026255
5sfl_565,-94.9008,-80.5362,-9.0486,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCOCC1,6.828592438469832
5sfl_567,-92.7357,-76.4189,-9.21658,Cc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)N2CCC2)n1,8.723998010037949
5sfl_569,-89.7006,-74.3181,-9.03111,NS(=O)(=O)c1ccc(CCNC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cc1,6.522305854588953
5sfl_581,-88.4824,-79.4379,-9.04395,CN(CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C(=O)c1ccccn1,5.0
5sfl_589,-93.5901,-80.4353,-9.13334,O=C(Nc1cncnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1,7.281423582374267
5sfl_591,-96.6939,-73.6392,-8.93541,O=C(NCCC(=O)N1CCOCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.816548217924619
5sfl_594,-89.5779,-80.895,-8.4677,CN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1COC1,6.719510409590322
5sfl_595,-92.1082,-79.6843,-8.32488,CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CC(F)(F)F,7.60499265060672
5sfl_600,-86.9293,-73.7665,-8.19471,CCN(CCO)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.2728899983590845
5sfl_617,-86.6012,-69.9739,-7.92211,CCCN(CCC)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.371754155229654
5sfl_622,-88.0084,-72.6159,-8.32772,CN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CC1,7.281133092709693
5sfl_641,-91.6408,-75.6552,-7.62084,O=C(N[C@@H](CO)Cc1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1,5.845018527973726
5sfl_645,-93.6706,-80.9892,-8.84818,CC(C)(O)CNC(=O)c1cc(F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.867100230055517
5sfl_646,-90.7988,-83.9065,-9.0485,CC(C)(O)CNC(=O)c1cc(Cl)ncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.792210616704152
5sfl_657,-66.2634,-77.3734,-8.1639,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NCC(C)(F)F,8.649751981665837
5sfl_661,-94.8875,-72.1203,-8.82342,O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1nc(C2CC2)cnc1Nc1cncnc1,6.020220882304127
5sfl_665,-86.2043,-71.9298,-8.452,O=C(NCCCS(=O)(=O)c1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1,6.084972350479026
5sfl_668,-98.0877,-76.4069,-8.49323,O=C(NCc1ccc(C(F)(F)F)cc1)c1nc(C2CC2)cnc1Nc1cncnc1,7.000499726051774
5sfl_673,-91.7337,-76.2972,-8.69645,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CC(F)C1,7.830078723230978
5sfl_674,-89.3536,-70.9271,-8.37701,O=C(Nc1cc(F)cc(F)c1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,7.44443401127056
5sfl_680,-87.2916,-69.9889,-8.29201,CN(CC(F)(F)F)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.093988374728587
5sfl_682,-97.7363,-73.8734,-8.70399,O=C(NCc1cn(-c2ccccc2)cn1)c1nc(C2CC2)cnc1Nc1cncnc1,7.27434150779878
5sfl_683,-81.4428,-75.1382,-7.73584,CCCCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.734993394339413
5sfl_685,-89.1239,-72.9165,-8.34323,CN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F,7.618307447941837
5sfl_699,-97.0328,-73.4139,-8.58995,O=C(NCc1ccc2nccnc2c1)c1nc(C2CC2)cnc1Nc1cncnc1,6.848388091152371
5sfl_700,-87.9347,-74.0413,-8.44112,CN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CCOCC1,7.379437150640003
5sfl_706,-82.9491,-74.0752,-8.14953,CCN(CC)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.419725242731656
5sfl_707,-90.1381,-86.7633,-8.60469,Cc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1,9.519993057042848
5sfl_708,-90.3957,-75.8105,-8.44553,CC(C)(O)CNC(=O)c1cc(C#N)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.146322660741836
5sfl_709,-90.8967,-72.386,-8.40999,CCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NCC(C)C,8.421934116163907
5sfl_712,-85.7276,-75.4888,-8.13716,CN(CCO)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.896469936571625
5sfl_718,-97.0503,-72.6525,-9.22632,O=C(NCc1ccc2c(c1)CCO2)c1nc(C2CC2)cnc1Nc1cncnc1,6.8294801321940515
5sfl_722,-88.7206,-75.8837,-8.90155,O=C(Nc1cncnc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.576009253659345
5sfl_727,-97.0808,-76.0255,-8.79377,O=C(NCc1cnn(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1,7.231051271055009
5sfl_728,-95.5904,-70.1916,-8.57396,O=C(NCCN1CCOCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.591469019193019
5sfl_729,-91.8523,-77.6778,-8.69595,CCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NC)n1,8.263046046216854
5sfl_730,-93.1117,-71.5157,-8.74729,O=C(Nc1ccnc(C(=O)N2CCCCC2)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.176271528674205
5sfl_736,-88.6047,-69.7886,-7.93522,CN(C)CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.289493383529048
5sfl_740,-92.4431,-77.2632,-9.0416,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCO1,9.127525101616497
5sfl_742,-92.501,-73.0045,-8.97368,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F,8.567832730557411
5sfl_746,-91.3858,-76.5847,-8.11105,O=C(NCCS(=O)(=O)c1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1,5.462153085794402
5sfl_749,-98.0701,-74.6438,-8.79999,O=C(N[C@@H]1C[C@H]1c1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1,6.147826926761977
5sfl_751,-88.2079,-79.5031,-8.47033,CCN(C)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.279493399908678
5sfl_754,-88.4075,-68.2534,-8.57116,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NC[C@H]1CCCO1,8.484921324924077
5sfl_755,-88.2909,-72.0204,-8.08553,O=C(Nc1cc(F)ccc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1,8.995678626217357
5sfl_756,-88.3861,-75.8784,-8.64141,CC(C)(O)CNC(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.941385239094451
5sfl_765,-97.1823,-72.0957,-8.28559,CCOc1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccn1,7.279377696036434
5sfl_767,-89.1948,-80.5772,-8.25387,CNC(=O)c1nc(COC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.427942010073695
5sfl_770,-97.6396,-74.8669,-8.57993,CC1(NC(=O)c2ncccc2NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)COC1,9.421360790031928
5sfl_773,-89.0761,-79.5573,-8.03049,CCN(CCO)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,6.928500929488431
5sfl_775,-71.1562,-84.4584,-9.01815,CN(C)C(=O)Cc1csc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.8794921316347555
5sfl_779,-94.4086,-74.342,-8.42965,O=C(NCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.684596495365649
5sfl_781,-89.3712,-73.9866,-8.1109,CN(CCF)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.444712037112183
5sfl_783,-97.3033,-69.4876,-8.29022,O=C(NCc1cc(F)cc(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1,5.976040483812561
5sfl_784,-85.915,-76.5084,-7.97744,CN(CCO)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.265496199379633
5sfl_786,-86.2714,-75.3616,-7.85984,CN(CC(F)(F)F)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.02963917449237
5sfl_793,-91.7888,-73.3051,-8.64928,O=C(Nc1cccc(N2CCCC2)c1)c1nc(C2CC2)cnc1Nc1cncnc1,6.877482678500375
5sfl_795,-89.1203,-71.4281,-8.03898,O=C(NCCCN1CCCC1=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.954894222759207
5sfl_796,-87.5794,-78.8313,-8.46693,O=C(NC1COC1)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.575118363368933
5sfl_798,-90.4744,-87.8503,-8.84789,Cc1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1,9.193141970481182
5sfl_800,-91.6542,-75.512,-8.50579,CS(=O)(=O)c1ccc(CNC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cc1,6.255996643084726
5sfl_803,-94.3121,-76.4459,-8.35868,CC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.504544340130288
5sfl_808,-92.9291,-78.5228,-8.90068,CNC(=O)c1cc(Cl)ncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.750697113163046
5sfl_815,-89.1748,-78.1111,-8.74163,O=C(Nc1ccnc(N2CCOCC2)c1)c1nc(C2CC2)cnc1Nc1cncnc1,8.067678468010705
5sfl_816,-86.8133,-78.956,-8.19628,CC(C)Oc1cncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,7.203869901050938
5sfl_817,-84.8942,-71.9603,-8.66392,NS(=O)(=O)c1ccc(CNC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cc1,6.409961092796556
5sfl_821,-87.0743,-71.2428,-8.79508,CC(=O)N(C)c1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,6.867171644387906
5sfl_827,-94.3029,-72.4041,-9.43924,CC(=O)N1CCc2ccc(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cc21,8.232695682546726
5sfl_829,-87.1818,-72.0332,-8.36148,CC(C)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,8.352421445787545
5sfl_832,-78.4179,-84.0639,-8.38667,O=C(Nc1nc(CN2CCCCC2)cs1)c1nc(C2CC2)cnc1Nc1cncnc1,7.493765640387874
5sfl_834,-85.0021,-73.7965,-8.12345,CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CC,7.938057707971913
5sfl_835,-92.6859,-73.9631,-8.75031,CNC(=O)c1cc(C#N)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.455807889234967
5sfl_837,-94.0216,-71.222,-8.19989,O=C(NCc1cccc(F)c1)c1nc(C2CC2)cnc1Nc1cncnc1,6.301876826395912
5sfl_838,-94.3245,-71.9194,-8.0453,O=C(NCc1cn2ccsc2n1)c1nc(C2CC2)cnc1Nc1cncnc1,7.4256561527604354
5sfl_839,-84.0821,-79.3205,-8.33496,O=C(NCCNS(=O)(=O)c1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1,6.3936882184984825
5sfl_842,-88.254,-68.1428,-8.43972,CC(C)N(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.193331719345002
5sfl_844,-81.1653,-78.172,-8.83685,CN1CCC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)CC1.O=CO,7.159461081998165
5sfl_850,-91.8538,-72.2216,-8.43039,CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cccc1OC,8.5079383954874
5sfl_851,-92.1642,-78.7468,-8.43125,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NC[C@@H]1CCCO1,8.538951908329341
5sfl_852,-93.6144,-76.5884,-7.91477,O=C(NCCO)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.44666322186951
5sfl_856,-84.6588,-76.2595,-8.36051,CCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.599574678361905
5sfl_863,-89.4619,-72.6147,-8.72966,CN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CCOCC1,6.371448623105209
5sfl_865,-92.6147,-76.1509,-8.6255,CC(C)(O)CNC(=O)c1c(F)cccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.039243909098227
5sfl_874,-87.2548,-69.2802,-8.23115,O=C(Nc1cccc(OC(F)(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.511759604685966
5sfl_877,-86.2489,-74.7448,-7.82879,CCCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,7.899663924066302
5sfl_878,-94.5228,-73.4562,-8.827,O=C(Nc1cccc(N2CCCC2=O)c1)c1nc(C2CC2)cnc1Nc1cncnc1,7.8223769383686435
5sfl_891,-82.6963,-73.7986,-7.84504,CN(C)C(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,7.776322383869968
5sfl_893,-83.2552,-75.8364,-8.51047,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N[C@@H]1CCOC1,8.453827631683058
5sfl_896,-89.2992,-70.2901,-8.12445,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)NCCF,8.556720516956716
5sfl_900,-86.0282,-70.5428,-8.26706,CS(=O)(=O)Nc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1,7.835468703694568
5sfl_902,-84.3841,-76.5479,-8.13983,CC(C)(O)CNC(=O)c1ccc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.39469495385889
5sfl_909,-89.3332,-76.5062,-8.74028,CNC(=O)c1nc(C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.460923901207222
5sfl_914,-86.5633,-79.1862,-7.41398,CCOC(=O)Cc1csc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,8.301986496060819
5sfl_915,-90.2795,-69.885,-7.62143,O=C(NCCC1CCOCC1)c1nc(C2CC2)cnc1Nc1cncnc1,5.8318786357155155
5sfl_916,-90.0599,-69.9238,-8.55541,Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N[C@H]1CCOC1,8.163296200910269
5sfl_919,-84.5475,-72.3753,-8.31448,CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C,8.406049704736013
5sfl_927,-90.6278,-76.4484,-8.38342,CNC(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,9.500312917381596
5sfl_937,-90.5123,-68.5576,-8.69639,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCC(Cc2ccccc2)CC1,5.0
5sfl_939,-88.1967,-72.1359,-6.88268,CC(C)C[C@H](CO)NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.610613279188361
5sfl_946,-84.165,-64.0254,-7.32197,COCCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,5.594433047618189
5sfl_952,-89.3552,-69.9551,-8.64763,CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cc21,8.11696348997232
5sfl_955,-70.5364,-87.1739,-8.54429,O=C(NC1CC1)c1nocc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,8.206419132631844
5sfl_963,-88.7827,-72.8447,-8.03055,CCCc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)n1,7.802113231598814
5sfl_968,-81.0461,-68.6625,-7.3964,CC(C)(C)OCCCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1,6.529463090981647
5sfl_975,-81.3116,-75.2005,-8.18551,O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(c2ccccc2F)CC1,5.209467632993647
5sfl_993,-87.5225,-68.48,-7.99721,CC(=O)N1CCC(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)CC1,5.0
5sfm_1009,-79.3338,-74.7241,-7.79438,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)N[C@H]1CCn2cc(-c3ccccc3Cl)nc2C1,6.360513510731414
5sfm_236,-100.9,-91.2001,-10.06891,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cn1,8.583768281430755
5sfm_304,-97.9384,-92.176,-9.14345,COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cn1,9.10105164601476
5sfm_415,-99.3429,-88.9949,-10.12249,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccc2nc(N3CCCC3)nn2c1,8.610696959816575
5sfm_422,-94.211,-80.6674,-9.8606,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(N3CCOCC3)nn2cn1,8.31596296251348
5sfm_426,-97.6057,-95.3666,-9.80332,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1cc2nc(N3CCCC3)nn2cn1,8.301377709494806
5sfm_431,-100.563,-92.8726,-9.44272,CCN(CC)c1nc2ccc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)cn2n1,7.660826914366076
5sfm_442,-95.6942,-86.4155,-9.66582,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cn1,9.091336332620157
5sfm_938,-92.8639,-80.5918,-7.81127,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)N[C@H]1CCn2cc(-c3ccc(F)cc3)nc2C1,6.204815410317576
5sfo_10,-111.958,-78.0497,-10.1051,COCCn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C,8.51291411539321
5sfo_130,-107.123,-81.5499,-10.40147,COc1ccccc1-c1cn(C)c(CCNC(=O)c2c(C(=O)N3CCC3)cnn2C)n1,8.770574152079305
5sfo_151,-108.554,-73.3478,-10.23766,Cn1cc(-c2cccnc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C,7.960229073068419
5sfo_166,-110.838,-78.247,-10.12575,Cc1nnc2c(C(=O)NCCc3nc(-c4ccccc4)cn3C)cccn12,7.022605669006621
5sfo_169,-109.471,-79.5216,-10.25101,Cn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)nnn1C,7.132780077508745
5sfo_182,-109.244,-79.6201,-10.45067,Cn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2cnnc12,6.405789825290119
5sfo_201,-111.74,-78.4216,-10.26126,CC(C)c1nnc2c(C(=O)NCCc3nc(-c4ccccc4)cn3C)cccn12,7.6047784794264865
5sfo_209,-104.975,-79.7289,-10.40904,Cc1sc(CCNC(=O)c2c(C(=O)N3CCC3)cnn2C)nc1-c1ccccc1,6.745131668485175
5sfo_298,-114.292,-74.0254,-10.84668,Cn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C(F)(F)F)nnc12,7.056075359804519
5sfo_363,-100.907,-84.8501,-10.40319,Cn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)nc(C(F)(F)F)n1C,7.244750368676017
5sfo_61,-115.012,-82.0026,-10.37138,Cc1nc(C(=O)N2CCC2)c(C(=O)NCCc2nc(-c3ccccc3)cn2C)n1C,7.0656076103588985
5sfo_67,-112.107,-75.7378,-10.40974,COc1cccc(-c2cn(C)c(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)n2)c1,7.414629522877922
5sfo_68,-108.065,-80.0047,-10.57196,CN(C(=O)c1cnn(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C)C1CCCC1,7.265816457847331
5sfo_80,-109.341,-83.0584,-10.40206,CN(C(=O)c1cnn(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C)C1CCC1,8.130123186733234
5sfo_92,-114.483,-80.0868,-10.31878,Cn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2c(C3CC3)nnc12,7.3683736221711715
5sfp_286,-103.906,-81.9979,-10.114,Cc1cc(NC(=O)c2ccc3cc(-c4ccccc4)nn3c2)cc(C)n1,7.123741734941737
5sfp_310,-102.85,-83.8673,-9.85846,O=C(Nc1ccnc(Cl)c1)c1ccc2cc(-c3ccccc3)nn2c1,7.4347544742774945
5sfp_324,-100.43,-72.4603,-10.47736,Cc1ccc(C)c(C(=O)Nc2ccc3cc(-c4ccccc4)nn3c2)n1,7.276248878364461
5sfp_331,-105.582,-80.3385,-9.91729,CCc1cnc(C)cc1NC(=O)c1ccc2cc(-c3ccccc3)nn2c1,7.074889112877815
5sfp_365,-101.609,-81.1481,-9.69764,COc1cc(NC(=O)c2ccc3cc(-c4ccccc4)nn3c2)ccn1,6.840845040745019
5sfp_367,-101.656,-83.0569,-9.90085,O=C(Nc1ccncc1C(F)(F)F)c1ccc2cc(-c3ccccc3)nn2c1,5.97159422088321
5sfp_377,-96.8174,-81.983,-9.82724,Cn1ncc(C(=O)O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1,7.720105019988361
5sfp_384,-103.079,-81.7977,-9.85376,Cc1cc(NC(=O)c2ccc3cc(-c4ccccc4)nn3c2)ccn1,7.452619167879762
5sfp_399,-105.3,-82.2999,-9.99281,O=C(Nc1cc(Cl)ncc1Br)c1ccc2cc(-c3ccccc3)nn2c1,6.450632525027708
5sfp_410,-88.4771,-84.5321,-9.15888,Cn1ncc(S(C)(=O)=O)c1C(=O)Nc1ccc2cc(-c3ccccc3)nn2c1,6.745538935509991
5sfp_416,-87.8188,-69.0641,-9.00219,Cn1cc(S(C)(=O)=O)c(C(=O)Nc2ccc3cc(-c4ccccc4)nn3c2)n1,7.053464224846894
5sfp_419,-99.6775,-82.094,-9.68453,O=C(Nc1cc(Cl)ncn1)c1ccc2cc(-c3ccccc3)nn2c1,6.602310217021459
5sfp_448,-101.333,-77.9969,-9.75805,Cc1cnccc1NC(=O)c1ccc2cc(-c3ccccc3)nn2c1,6.248938867974088
5sfp_471,-101.177,-80.5179,-9.44744,O=C(Nc1ccncc1F)c1ccc2cc(-c3ccccc3)nn2c1,6.029733108277151
5sfp_523,-96.7548,-81.6536,-10.25907,O=C(Nc1ccc2cc(-c3ccccc3)nn2c1)c1onc2ccc(Br)cc12,7.981382707480559
5sfp_529,-92.9846,-73.7277,-9.10144,Cc1noc(C(=O)Nc2ccc3cc(-c4ccccc4)nn3c2)c1Br,7.745645307946834
5sfp_532,-85.4039,-80.3472,-8.91116,CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cc(-c3ccccc3)nn2c1,6.708717750640297
5sfp_654,-93.1711,-77.5962,-8.84161,CCn1nccc1NC(=O)c1ccc2cc(-c3ccccc3)nn2c1,6.240187917967518
5sfp_679,-85.3819,-71.838,-8.6016,O=C(Nc1ccc2cc(-c3ccccc3)nn2c1)c1ccno1,5.627536692997088
5sfp_752,-98.2693,-84.0388,-10.2409,O=C(Nc1cc(-c2ccccc2)no1)c1ccc2cc(-c3ccccc3)nn2c1,5.347141822012028
5sfp_898,-93.4372,-77.217,-9.26356,Cc1cc(NC(=O)c2ccc3cc(-c4ccccc4)nn3c2)on1,5.47507901695091
5sfq_1021,-68.7143,-72.5516,-8.32588,CNC(=O)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C,5.0
5sfq_1030,-70.0212,-70.1335,-7.44031,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCN2CCOCC2)n1,6.433383405632827
5sfq_1034,-76.4005,-66.6468,-7.81084,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1,5.9756284624811355
5sfq_1043,-76.1738,-66.2066,-7.87329,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2ccccc2F)n1,6.401251064975393
5sfq_1050,-68.9944,-68.4495,-7.61385,Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1CC(F)F,6.865408565289123
5sfq_1051,-66.0162,-69.0806,-8.17999,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2cc(Cl)cc(Cl)c2)n1,7.36647094941784
5sfq_1055,-73.3143,-65.7174,-7.41537,CC(C)Cn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1,6.5879176297829565
5sfq_1064,-72.1734,-65.1558,-7.80253,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C2CCCCC2)n1,6.615732628785439
5sfq_1067,-72.9067,-61.5695,-6.91976,COCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1,6.484420199024325
5sfq_1075,-70.885,-65.4882,-7.41697,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CC2CC2)n1,6.482290908259976
5sfq_1077,-77.0411,-65.361,-7.93214,Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cc(N)n1,6.881528181910826
5sfq_1082,-71.4572,-62.8412,-7.07296,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCF)n1,6.258448970908142
5sfq_1093,-70.5503,-64.7597,-7.43229,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C2CCC2)n1,6.30432836122519
5sfq_1100,-69.9251,-64.2701,-7.07603,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C(F)F)n1,6.118516054659026
5sfq_1109,-70.305,-65.0581,-7.39967,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(C(C)(C)C)n1,6.172043017673668
5sfq_1114,-67.6212,-66.9074,-6.93818,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCC#N)n1,5.501256608334625
5sfq_1116,-71.5326,-63.7953,-7.14585,CCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1,6.393532644495706
5sfq_1118,-70.2363,-64.8013,-7.32569,CC(C)n1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1,5.737858010085575
5sfq_1121,-68.3554,-63.3491,-6.99994,CCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1,5.87855867561731
5sfq_1135,-65.8192,-65.1004,-6.99121,CCn1nc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cc1C1CC1,5.212979072484464
5sfq_1137,-68.5007,-63.766,-7.03419,Cn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1,5.84520884267007
5sfq_1147,-76.0291,-68.2201,-7.68717,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2ccccn2n1,6.159661758122928
5sfq_1155,-64.9093,-65.363,-6.90782,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc[nH]n1,5.504489935606848
5sfq_1160,-37.5554,-82.7746,-8.23607,Cc1cc(C)c2c(NC(=O)c3c(C(=O)N4CCC4)cnn3C)nn(C)c2n1,5.367940031060237
5sfq_669,-77.3337,-70.8611,-8.77736,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2cn(-c3ccc(Cl)c(Cl)c3)cn2)n1,7.094765558479688
5sfq_744,-70.0995,-76.186,-8.88647,CCn1nc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cc1-c1cccc(Cl)c1,5.788288248618482
5sfq_871,-77.6033,-70.0583,-8.32654,CCCNC(=O)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C,5.0
5sfq_959,-67.0869,-75.5189,-7.794,CCOC(=O)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C,5.871538693644505
5sfr_1,-99.224,-83.1737,-9.62394,CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1,8.21788585252093
5sfr_105,-91.4264,-86.0752,-9.00482,COc1cccc(-c2cn3ccc(NC(=O)c4c(C(=O)N(C)CCOCCF)cnn4C)nc3n2)c1,6.6539053315020364
5sfr_126,-101.964,-81.4386,-10.49732,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(O)c3)nc2n1,8.47069800221202
5sfr_143,-96.1856,-83.3613,-10.31618,CC(=O)Oc1cccc(-c2cn3ccc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)nc3n2)c1,7.437005692052579
5sfr_147,-86.2329,-81.2422,-9.0729,COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccnc(F)c3)nc2n1,6.1075942644068
5sfr_20,-89.8034,-86.6216,-9.81311,CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCC(=O)OC)c3)nc2n1,8.100954766518939
5sfr_232,-88.0101,-84.7109,-8.9172,CN(CCOCCF)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,7.363993805681677
5sfr_26,-96.1504,-77.9005,-9.99776,CCN(C)C(=O)c1cnn(CCF)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1,5.0
5sfr_28,-107.357,-78.185,-9.46037,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1,8.134067331806815
5sfr_3,-97.388,-82.4137,-9.09736,COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1,7.820304616675493
5sfr_31,-94.458,-77.5051,-8.65909,CN(CCOCCF)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCF)c3)nc2n1,7.050405093740633
5sfr_39,-95.3989,-79.7826,-9.72977,CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCO)c3)nc2n1,8.0548269538261
5sfr_43,-97.2135,-77.0209,-9.41874,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCCF)c3)nc2n1,8.144299169164562
5sfr_45,-90.4617,-74.2277,-8.84417,COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCCF)c3)nc2n1,7.897943807424811
5sfr_51,-86.8224,-84.6349,-9.06499,COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCF)c3)nc2n1,7.7215207769536764
5sfr_65,-88.8237,-82.9398,-9.19998,COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OC)c3)nc2n1,7.6569460770871505
5sfr_73,-94.9594,-81.6846,-10.50597,CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(O)c3)nc2n1,8.459295216689236
5sfr_81,-88.0309,-89.7671,-9.31688,COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)n3)nc2n1,6.786383973414021
5sfs_626,-95.9313,-72.261,-9.25769,[2H]C1([2H])CCC([2H])([2H])N1c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1,8.638272163982407
5sft_387,-66.0051,-93.1113,-8.85985,Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(CC4CC4)n3)nc12,8.174314291978241
5sft_400,-106.844,-75.6585,-9.96673,Cc1ncc(C)n2nc(CCc3ncn(-c4ccccc4)n3)nc12,7.084684604487
5sft_456,-100.63,-74.3824,-10.10744,Cc1ncc(C)n2nc(CCc3nc(C)n(-c4ccccc4)n3)nc12,6.125970687245072
5sft_492,-56.9063,-98.1366,-9.19974,Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(C4CC4)n3)nc12,8.086292086019517
5sft_533,-63.8228,-93.5125,-9.04506,CCn1nc(CCc2nc3c(C)ncc(C)n3n2)nc1N1CCCC1,7.545246580034339
5sfu_1036,-77.1098,-87.5083,-9.37508,O=C(Nc1cn(Cc2ccccn2)cn1)c1nc(C2CC2)ccc1Nc1cncnc1,6.955076286103284
5sfu_1052,-84.931,-79.2026,-9.12812,O=C(N[C@H]1CCN(c2ccccn2)C1)c1nc(C2CC2)ccc1Nc1cncnc1,6.434457947283414
5sfu_1090,-73.5692,-78.6857,-8.77565,O=C(Nc1cnc(Cl)cn1)c1nc(C2CC2)ccc1Nc1cncnc1,6.8338156710444675
5sfu_477,-86.9969,-84.2197,-10.09521,O=C(Nc1cnccc1C(=O)N1CCCC1)c1nc(C2CC2)ccc1Nc1cncnc1,7.7276477590932044
5sfu_480,-84.619,-84.5366,-9.18705,CN(CCCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.249098372596961
5sfu_487,-91.4454,-86.2909,-10.39892,O=C(Nc1cnccc1C(=O)N1CCC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1,7.182500738132242
5sfu_503,-88.0617,-83.4145,-9.93643,O=C(Nc1cnccc1C(=O)N1CC(O)C1)c1nc(C2CC2)ccc1Nc1cncnc1,7.232769901889282
5sfu_508,-87.8798,-86.3174,-10.06599,O=C(Nc1cnccc1C(=O)N1CC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1,7.529310262490611
5sfu_528,-86.9774,-86.9859,-9.96734,O=C(Nc1cnccc1C(=O)N1CC2(COC2)C1)c1nc(C2CC2)ccc1Nc1cncnc1,6.243155541235232
5sfu_538,-90.1007,-86.654,-10.12722,CC1(C)CCN(C(=O)c2ccncc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)C1,7.060266149114265
5sfu_552,-84.2875,-83.9574,-9.81952,O=C(Nc1cnccc1C(=O)N1CCC1)c1nc(C2CC2)ccc1Nc1cncnc1,8.381011079635066
5sfu_561,-88.4815,-84.6842,-10.16329,CC1(C)CCCN1C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.61003696356411
5sfu_564,-87.3896,-82.0887,-9.68338,O=C(NC1CCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.941953769604718
5sfu_583,-83.555,-84.4833,-9.62233,CN(C)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.05649064512821
5sfu_625,-80.9101,-82.9981,-9.68055,O=C(NC1CCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.894489815230026
5sfu_628,-83.8228,-83.4385,-10.07418,O=C1CN(C(=O)c2ccncc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)CCN1,6.635267070557227
5sfu_639,-76.2115,-80.3372,-9.00164,CN(CCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.723929006862966
5sfu_651,-82.1227,-85.8387,-9.83095,O=C(NC1CCCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.698319050706424
5sfu_681,-87.5196,-84.5582,-9.18346,CC(C)(O)CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.68277265082358
5sfu_688,-87.0205,-79.8807,-9.50293,O=C(NC1CC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.683191247946977
5sfu_806,-76.9202,-85.1058,-8.79637,O=C(NCCO)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,8.482936126517345
5sfu_822,-82.3817,-79.7271,-9.38546,CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,7.86359655186601
5sfu_942,-85.8607,-77.8582,-9.38923,O=C(Nc1cnc(Cl)cc1Cl)c1nc(C2CC2)ccc1Nc1cncnc1,8.002788417167494
5sfu_995,-82.9439,-81.4075,-9.25312,O=C(Nc1cnccc1Cl)c1nc(C2CC2)ccc1Nc1cncnc1,7.669302201660694
5sfu_997,-76.8472,-85.4964,-8.42167,O=C(NC1CC1)c1ccsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1,9.320243879283572
5sfv_1063,-63.5127,-74.8306,-8.13883,Cc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C1CCCC1,6.359235502174268
5sfv_1088,-52.698,-84.1576,-6.99659,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)n(C2CCCC2)n1,6.068655548885114
5sfv_1095,-63.9335,-69.7941,-7.37458,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2ccccn2)n1,6.104846070243914
5sfv_1101,-55.0545,-77.2608,-7.27379,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCCCC2)n(C2CCCC2)n1,6.10578642961156
5sfv_950,-70.8242,-78.6176,-7.82133,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccccc2)n1,6.932066622100437
5sfv_966,-63.9114,-72.1144,-7.80046,CCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C1CCCC1,6.2451213537429755
5sfv_970,-70.8865,-80.5862,-7.79145,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1,6.919683834264605
5sfv_977,-70.836,-72.9674,-7.56216,COc1ccc(Cn2ccc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)n2)cc1,7.099977165671381
5sfv_978,-69.1952,-79.5758,-7.69357,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccncc2)n1,6.715740761728911
5sfw_1130,-83.3663,-71.2835,-8.01019,Cc1cnc(C)n2nc(CCc3ncnn3C)nc12,5.61543155310588
5sfw_436,-105.245,-71.7268,-9.72637,Cc1cnc(C)n2nc(CCc3nc(N4CCCC4)nn3C3CC3)nc12,7.752026733638194
5sfw_483,-58.3514,-103.219,-10.1997,Cc1cnc(C)n2nc(CCc3nc(N4CCNC(=O)C4)nn3C)nc12,6.071443877587509
5sfw_584,-102.92,-75.3786,-9.49001,CCc1cnc(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,8.543163567768595
5sfw_605,-103.538,-77.7452,-9.53171,Cc1ncc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.483948887002526
5sfw_633,-99.5692,-71.5104,-8.58991,COc1cnc(C)n2c(CCc3nc(N4CCCC4)nn3C)nnc12,5.378090711960354
5sfw_658,-102.783,-77.2429,-9.36527,Cc1ncc(Br)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,7.464705879957229
5sfw_671,-98.6681,-75.9199,-9.19169,COc1cnc(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,7.965993945399712
5sfw_672,-101.356,-73.1811,-9.00198,Cc1ncc(C(C)C)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,8.154282423927969
5sfw_705,-100.517,-69.677,-9.39598,Cc1ncc(O)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,6.851397345193906
5sfw_714,-100.464,-67.1775,-9.21847,Cc1nccc2nc(CCc3nc(N4CCCC4)nn3C)nn12,7.07727454200674
5sfw_725,-100.235,-70.9735,-8.56441,Cc1cnc(C)n2nc(CCc3nc(NCCCCl)nn3C)nc12,6.363253409401631
5sfw_989,-95.8451,-63.435,-8.15879,Cc1cncc(CCc2nc(N3CCCC3)nn2C)n1,5.102497552618559
5sfx_174,-107.463,-76.7803,-10.013,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2sc(-c3ccccc3)nc2c1,9.112945621949043
5sfx_397,-94.4713,-73.6653,-9.44824,Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2sc(N3CCOCC3)nc2c1,8.731422028117155
5sfx_461,-94.1186,-75.6056,-9.10411,CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccc2s1,8.50626319772316
5sfx_546,-86.8275,-75.3069,-7.40537,CN1CCN(c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccc3s2)CC1,6.406172510399607
5sfx_840,-88.3233,-74.9532,-8.59964,CSc1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccc2s1,6.479764144679481
5sfx_926,-78.9129,-75.3973,-9.35351,CC(=O)Nc1nc2cc(NC(=O)c3nc(C)ccc3C)ccc2s1,5.239083787358909
5sfy_1066,-52.5589,-81.441,-7.42656,Cc1ncc(C)n2nc(/C=C/c3nc(N4C[C@@H]5C[C@H]6CN(C(=O)OC(C)(C)C)C[C@]65C4)nn3C)nc12,5.212366479795121
5sfy_1115,-60.6791,-83.6744,-7.82008,Cc1ncc(C)n2nc(/C=C/c3nc(N4CC[C@@H](C)[C@H]4C)nn3C)nc12.Cc1ncc(C)n2nc(/C=C/c3nc(N4CC[C@H](C)[C@H]4C)nn3C)nc12,7.498940737782248
5sfy_1119,-8.73955,-104.473,-7.36277,Cc1ncc(C)n2nc(/C=C/c3nc(N4CCN(C(=O)OC(C)(C)C)CC4)nn3C)nc12,6.395170459403865
5sfy_1125,-68.8593,-74.5348,-7.44469,C/C(=C\c1nc2c(C)ncc(C)n2n1)c1nc(Br)nn1C,5.316821161673984
5sfy_1132,-0.200623,-109.033,-7.21264,Cc1ncc(C)n2nc(/C=C/c3nc(N4CC[C@@H](NC(=O)OC(C)(C)C)C4)nn3C)nc12,6.123346928045941
5sfy_1134,-69.8355,-75.4806,-7.44149,C/C(=C/c1nc2c(C)ncc(C)n2n1)c1nc(Br)nn1C,5.645751878854076
5sfy_311,-95.1542,-87.6947,-10.04144,Cc1ncc(C)n2nc(/C=C/c3nc(N4CCNCC4)nn3C)nc12,5.8103095695395135
5sfy_388,-95.322,-81.2062,-9.6243,COC[C@H]1CCCN1c1nc(/C=C/c2nc3c(C)ncc(C)n3n2)n(C)n1,8.25743151796349
5sfy_440,-97.5605,-83.5644,-10.45762,Cc1ncc(C)n2nc(/C=C/c3nc(-c4cccn4C)nn3C)nc12,7.93445762948086
5sfy_560,-89.5908,-81.8401,-9.5325,Cc1ncc(C)n2nc(/C=C/c3nc(N4CC[C@@H](C)C4)nn3C)nc12,7.617982957425131
5sfy_566,-80.2595,-85.2027,-9.96258,Cc1ncc(C)n2nc(/C=C/c3nc(N4CC[C@H](C)C4)nn3C)nc12,7.348721986001856
5sfy_596,-87.2239,-86.482,-9.42254,Cc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cn3C)nc12,6.485594812935054
5sfy_618,-88.6057,-86.767,-10.12316,Cc1ncc(C)n2nc(/C=C/c3nc(-c4cc[nH]n4)nn3C)nc12,7.340701945133838
5sfy_629,-90.9994,-82.124,-10.05123,Cc1ncc(C)n2nc(/C=C/c3ncn(-c4ccccc4)n3)nc12,6.789221473412895
5sfy_648,-80.2641,-82.6809,-9.48417,Cc1ncc(C)n2nc(/C=C/c3nc(Br)cn3-c3ccccc3)nc12,6.694218848745018
5sfy_691,-52.4565,-98.2548,-8.65632,Cc1ncc(C)n2nc(/C=C/c3nc(N4CCC[C@H]4CF)nn3C)nc12,6.103767745583137
5sfy_720,-83.365,-84.6985,-9.1198,Cc1ncc(C)n2nc(/C=C/c3nc(C)n(-c4ccccc4)n3)nc12,6.750263695431167
5sfy_782,-89.718,-83.002,-9.79217,Cc1ncc(C)n2nc(/C=C/c3nc(N4CCC[C@@H]4C(F)(F)F)nn3C)nc12,8.467882883751194
5sfy_805,-73.9888,-86.6018,-9.06298,C/C(=C\c1nc2c(C)ncc(C)n2n1)c1nc(N2CCCC2)nn1C,7.210013467360718
5sfy_907,-82.9586,-86.4096,-8.78339,Cc1ncc(C)n2nc(/C=C/c3nc(N4CCN(C)C4=O)cn3C)nc12,6.789681480173768
5sfy_911,-58.7294,-90.8947,-8.89049,Cc1ncc(C)n2nc(/C=C/c3nc(N4CCCN4C)nn3C)nc12,6.126621263590859
5sfy_964,-79.2544,-83.3037,-8.49905,Cc1ncc(C)n2nc(/C=C/c3nc(Br)cn3C3CC3)nc12,5.177505014721249